# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/35123fdf-d9f2-410e-ba44-a8a5830ec57a/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [Ab-initio phonon calculation for K3Y3(BO3)4 / P2_1/c (14) / materials id 642313](https://mdr.nims.go.jp/datasets/78c4b569-c795-40d8-ab57-7c6e297d5a80) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P2_1/c" number: 14 Hall_symbol: "-P 2ybc"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 10.548390339999999, 0.000000000000000, -0.028338040000000 ] # a - [ 0.000000000000000, 17.419299680000002, 0.000000000000000 ] # b - [ -4.894182390000000, 0.000000000000000, 13.001324380000000 ] # c points: - symbol: K # 1 coordinates: [ 0.081288930000000, 0.828133500000000, 0.904207660000000 ] mass: 39.098300 - symbol: K # 2 coordinates: [ 0.090079870000000, 0.177528160000000, 0.405082570000000 ] mass: 39.098300 - symbol: K # 3 coordinates: [ 0.298639950000000, 0.468654360000000, 0.397852180000000 ] mass: 39.098300 - symbol: K # 4 coordinates: [ 0.606174810000000, 0.709766550000000, 0.458181560000000 ] mass: 39.098300 - symbol: K # 5 coordinates: [ 0.393825190000000, 0.209766550000000, 0.041818440000000 ] mass: 39.098300 - symbol: K # 6 coordinates: [ 0.918711070000000, 0.328133500000000, 0.595792340000000 ] mass: 39.098300 - symbol: K # 7 coordinates: [ 0.918711070000000, 0.171866500000000, 0.095792340000000 ] mass: 39.098300 - symbol: K # 8 coordinates: [ 0.292318020000000, 0.535899590000000, 0.899215590000000 ] mass: 39.098300 - symbol: K # 9 coordinates: [ 0.394381650000000, 0.712221520000000, 0.047571840000000 ] mass: 39.098300 - symbol: K # 10 coordinates: [ 0.605618350000000, 0.287778480000000, 0.952428160000000 ] mass: 39.098300 - symbol: K # 11 coordinates: [ 0.606174810000000, 0.790233450000000, 0.958181560000000 ] mass: 39.098300 - symbol: K # 12 coordinates: [ 0.909920130000000, 0.822471840000000, 0.594917430000000 ] mass: 39.098300 - symbol: K # 13 coordinates: [ 0.292318020000000, 0.964100410000000, 0.399215590000000 ] mass: 39.098300 - symbol: K # 14 coordinates: [ 0.394381650000000, 0.787778480000000, 0.547571840000000 ] mass: 39.098300 - symbol: K # 15 coordinates: [ 0.605618350000000, 0.212221520000000, 0.452428160000000 ] mass: 39.098300 - symbol: K # 16 coordinates: [ 0.701360050000000, 0.968654360000000, 0.102147820000000 ] mass: 39.098300 - symbol: K # 17 coordinates: [ 0.090079870000000, 0.322471840000000, 0.905082570000000 ] mass: 39.098300 - symbol: K # 18 coordinates: [ 0.707681980000000, 0.464100410000000, 0.100784410000000 ] mass: 39.098300 - symbol: K # 19 coordinates: [ 0.707681980000000, 0.035899590000000, 0.600784410000000 ] mass: 39.098300 - symbol: K # 20 coordinates: [ 0.909920130000000, 0.677528160000000, 0.094917430000000 ] mass: 39.098300 - symbol: K # 21 coordinates: [ 0.298639950000000, 0.031345640000000, 0.897852180000000 ] mass: 39.098300 - symbol: K # 22 coordinates: [ 0.393825190000000, 0.290233450000000, 0.541818440000000 ] mass: 39.098300 - symbol: K # 23 coordinates: [ 0.701360050000000, 0.531345640000000, 0.602147820000000 ] mass: 39.098300 - symbol: K # 24 coordinates: [ 0.081288930000000, 0.671866500000000, 0.404207660000000 ] mass: 39.098300 - symbol: Y # 25 coordinates: [ 0.292164500000000, 0.846523940000000, 0.753171990000000 ] mass: 88.905850 - symbol: Y # 26 coordinates: [ 0.710628510000000, 0.856138770000000, 0.750320670000000 ] mass: 88.905850 - symbol: Y # 27 coordinates: [ 0.166278870000000, 0.514933390000000, 0.611778400000000 ] mass: 88.905850 - symbol: Y # 28 coordinates: [ 0.707835500000000, 0.346523940000000, 0.746828010000000 ] mass: 88.905850 - symbol: Y # 29 coordinates: [ 0.289371490000000, 0.143861230000000, 0.249679330000000 ] mass: 88.905850 - symbol: Y # 30 coordinates: [ 0.528503940000000, 0.620362610000000, 0.763698060000000 ] mass: 88.905850 - symbol: Y # 31 coordinates: [ 0.471496060000000, 0.120362610000000, 0.736301940000000 ] mass: 88.905850 - symbol: Y # 32 coordinates: [ 0.000392170000000, 0.155289020000000, 0.744280410000000 ] mass: 88.905850 - symbol: Y # 33 coordinates: [ 0.166278870000000, 0.985066610000000, 0.111778400000000 ] mass: 88.905850 - symbol: Y # 34 coordinates: [ 0.707835500000000, 0.153476060000000, 0.246828010000000 ] mass: 88.905850 - symbol: Y # 35 coordinates: [ 0.999607830000000, 0.844710980000000, 0.255719590000000 ] mass: 88.905850 - symbol: Y # 36 coordinates: [ 0.528503940000000, 0.879637390000000, 0.263698060000000 ] mass: 88.905850 - symbol: Y # 37 coordinates: [ 0.156679560000000, 0.486488900000000, 0.120330420000000 ] mass: 88.905850 - symbol: Y # 38 coordinates: [ 0.833721130000000, 0.014933390000000, 0.888221600000000 ] mass: 88.905850 - symbol: Y # 39 coordinates: [ 0.289371490000000, 0.356138770000000, 0.749679330000000 ] mass: 88.905850 - symbol: Y # 40 coordinates: [ 0.156679560000000, 0.013511100000000, 0.620330420000000 ] mass: 88.905850 - symbol: Y # 41 coordinates: [ 0.999607830000000, 0.655289020000000, 0.755719590000000 ] mass: 88.905850 - symbol: Y # 42 coordinates: [ 0.292164500000000, 0.653476060000000, 0.253171990000000 ] mass: 88.905850 - symbol: Y # 43 coordinates: [ 0.000392170000000, 0.344710980000000, 0.244280410000000 ] mass: 88.905850 - symbol: Y # 44 coordinates: [ 0.843320440000000, 0.986488900000000, 0.379669580000000 ] mass: 88.905850 - symbol: Y # 45 coordinates: [ 0.843320440000000, 0.513511100000000, 0.879669580000000 ] mass: 88.905850 - symbol: Y # 46 coordinates: [ 0.833721130000000, 0.485066610000000, 0.388221600000000 ] mass: 88.905850 - symbol: Y # 47 coordinates: [ 0.710628510000000, 0.643861230000000, 0.250320670000000 ] mass: 88.905850 - symbol: Y # 48 coordinates: [ 0.471496060000000, 0.379637390000000, 0.236301940000000 ] mass: 88.905850 - symbol: B # 49 coordinates: [ 0.230406490000000, 0.806089400000000, 0.220104990000000 ] mass: 10.811000 - symbol: B # 50 coordinates: [ 0.499482510000000, 0.954832960000000, 0.753415010000000 ] mass: 10.811000 - symbol: B # 51 coordinates: [ 0.377410510000000, 0.617521050000000, 0.516761680000000 ] mass: 10.811000 - symbol: B # 52 coordinates: [ 0.385399690000000, 0.384977720000000, 0.018945100000000 ] mass: 10.811000 - symbol: B # 53 coordinates: [ 0.000186780000000, 0.461847330000000, 0.759041690000000 ] mass: 10.811000 - symbol: B # 54 coordinates: [ 0.999813220000000, 0.961847330000000, 0.740958310000000 ] mass: 10.811000 - symbol: B # 55 coordinates: [ 0.769593510000000, 0.306089400000000, 0.279895010000000 ] mass: 10.811000 - symbol: B # 56 coordinates: [ 0.117225790000000, 0.877652030000000, 0.501908940000000 ] mass: 10.811000 - symbol: B # 57 coordinates: [ 0.233982930000000, 0.296244700000000, 0.220795060000000 ] mass: 10.811000 - symbol: B # 58 coordinates: [ 0.000186780000000, 0.038152670000000, 0.259041690000000 ] mass: 10.811000 - symbol: B # 59 coordinates: [ 0.500517490000000, 0.454832960000000, 0.746584990000000 ] mass: 10.811000 - symbol: B # 60 coordinates: [ 0.766017070000000, 0.703755300000000, 0.779204940000000 ] mass: 10.811000 - symbol: B # 61 coordinates: [ 0.614600310000000, 0.615022280000000, 0.981054900000000 ] mass: 10.811000 - symbol: B # 62 coordinates: [ 0.385399690000000, 0.115022280000000, 0.518945100000000 ] mass: 10.811000 - symbol: B # 63 coordinates: [ 0.766017070000000, 0.796244700000000, 0.279204940000000 ] mass: 10.811000 - symbol: B # 64 coordinates: [ 0.999813220000000, 0.538152670000000, 0.240958310000000 ] mass: 10.811000 - symbol: B # 65 coordinates: [ 0.614600310000000, 0.884977720000000, 0.481054900000000 ] mass: 10.811000 - symbol: B # 66 coordinates: [ 0.869661860000000, 0.615551170000000, 0.518355120000000 ] mass: 10.811000 - symbol: B # 67 coordinates: [ 0.130338140000000, 0.384448830000000, 0.481644880000000 ] mass: 10.811000 - symbol: B # 68 coordinates: [ 0.117225790000000, 0.622347970000000, 0.001908940000000 ] mass: 10.811000 - symbol: B # 69 coordinates: [ 0.882774210000000, 0.122347970000000, 0.498091060000000 ] mass: 10.811000 - symbol: B # 70 coordinates: [ 0.869661860000000, 0.884448830000000, 0.018355120000000 ] mass: 10.811000 - symbol: B # 71 coordinates: [ 0.622589490000000, 0.382478950000000, 0.483238320000000 ] mass: 10.811000 - symbol: B # 72 coordinates: [ 0.769593510000000, 0.193910600000000, 0.779895010000000 ] mass: 10.811000 - symbol: B # 73 coordinates: [ 0.882774210000000, 0.377652030000000, 0.998091060000000 ] mass: 10.811000 - symbol: B # 74 coordinates: [ 0.622589490000000, 0.117521050000000, 0.983238320000000 ] mass: 10.811000 - symbol: B # 75 coordinates: [ 0.377410510000000, 0.882478950000000, 0.016761680000000 ] mass: 10.811000 - symbol: B # 76 coordinates: [ 0.130338140000000, 0.115551170000000, 0.981644880000000 ] mass: 10.811000 - symbol: B # 77 coordinates: [ 0.500517490000000, 0.045167040000000, 0.246584990000000 ] mass: 10.811000 - symbol: B # 78 coordinates: [ 0.233982930000000, 0.203755300000000, 0.720795060000000 ] mass: 10.811000 - symbol: B # 79 coordinates: [ 0.499482510000000, 0.545167040000000, 0.253415010000000 ] mass: 10.811000 - symbol: B # 80 coordinates: [ 0.230406490000000, 0.693910600000000, 0.720104990000000 ] mass: 10.811000 - symbol: O # 81 coordinates: [ 0.647501010000000, 0.218408140000000, 0.782144500000000 ] mass: 15.999400 - symbol: O # 82 coordinates: [ 0.346282450000000, 0.365616970000000, 0.915451160000000 ] mass: 15.999400 - symbol: O # 83 coordinates: [ 0.950149610000000, 0.949336050000000, 0.047829880000000 ] mass: 15.999400 - symbol: O # 84 coordinates: [ 0.859164810000000, 0.249910130000000, 0.767691060000000 ] mass: 15.999400 - symbol: O # 85 coordinates: [ 0.186281880000000, 0.618869420000000, 0.714619140000000 ] mass: 15.999400 - symbol: O # 86 coordinates: [ 0.498415320000000, 0.870150290000000, 0.095841540000000 ] mass: 15.999400 - symbol: O # 87 coordinates: [ 0.726410370000000, 0.075770950000000, 0.969409060000000 ] mass: 15.999400 - symbol: O # 88 coordinates: [ 0.010206040000000, 0.924347230000000, 0.500686510000000 ] mass: 15.999400 - symbol: O # 89 coordinates: [ 0.643656840000000, 0.148492520000000, 0.080293750000000 ] mass: 15.999400 - symbol: O # 90 coordinates: [ 0.647501010000000, 0.281591860000000, 0.282144500000000 ] mass: 15.999400 - symbol: O # 91 coordinates: [ 0.766074920000000, 0.390021710000000, 0.911236680000000 ] mass: 15.999400 - symbol: O # 92 coordinates: [ 0.139713380000000, 0.255718940000000, 0.731295630000000 ] mass: 15.999400 - symbol: O # 93 coordinates: [ 0.490660790000000, 0.861360600000000, 0.412391150000000 ] mass: 15.999400 - symbol: O # 94 coordinates: [ 0.780401650000000, 0.613596330000000, 0.416407540000000 ] mass: 15.999400 - symbol: O # 95 coordinates: [ 0.008875230000000, 0.533780220000000, 0.802163250000000 ] mass: 15.999400 - symbol: O # 96 coordinates: [ 0.498133120000000, 0.375140000000000, 0.745905840000000 ] mass: 15.999400 - symbol: O # 97 coordinates: [ 0.140835190000000, 0.749910130000000, 0.732308940000000 ] mass: 15.999400 - symbol: O # 98 coordinates: [ 0.991124770000000, 0.033780220000000, 0.697836750000000 ] mass: 15.999400 - symbol: O # 99 coordinates: [ 0.643656840000000, 0.351507480000000, 0.580293750000000 ] mass: 15.999400 - symbol: O # 100 coordinates: [ 0.102145290000000, 0.434083100000000, 0.727377160000000 ] mass: 15.999400 - symbol: O # 101 coordinates: [ 0.653717550000000, 0.634383030000000, 0.084548840000000 ] mass: 15.999400 - symbol: O # 102 coordinates: [ 0.219598350000000, 0.386403670000000, 0.583592460000000 ] mass: 15.999400 - symbol: O # 103 coordinates: [ 0.780401650000000, 0.886403670000000, 0.916407540000000 ] mass: 15.999400 - symbol: O # 104 coordinates: [ 0.501866880000000, 0.875140000000000, 0.754094160000000 ] mass: 15.999400 - symbol: O # 105 coordinates: [ 0.860286620000000, 0.744281060000000, 0.268704370000000 ] mass: 15.999400 - symbol: O # 106 coordinates: [ 0.700159160000000, 0.575078450000000, 0.942521780000000 ] mass: 15.999400 - symbol: O # 107 coordinates: [ 0.501584680000000, 0.370150290000000, 0.404158460000000 ] mass: 15.999400 - symbol: O # 108 coordinates: [ 0.509339210000000, 0.361360600000000, 0.087608850000000 ] mass: 15.999400 - symbol: O # 109 coordinates: [ 0.299840840000000, 0.424921550000000, 0.057478220000000 ] mass: 15.999400 - symbol: O # 110 coordinates: [ 0.132197640000000, 0.328430560000000, 0.414556980000000 ] mass: 15.999400 - symbol: O # 111 coordinates: [ 0.132197640000000, 0.171569440000000, 0.914556980000000 ] mass: 15.999400 - symbol: O # 112 coordinates: [ 0.989793960000000, 0.075652770000000, 0.499313490000000 ] mass: 15.999400 - symbol: O # 113 coordinates: [ 0.867802360000000, 0.828430560000000, 0.085443020000000 ] mass: 15.999400 - symbol: O # 114 coordinates: [ 0.186281880000000, 0.881130580000000, 0.214619140000000 ] mass: 15.999400 - symbol: O # 115 coordinates: [ 0.490660790000000, 0.638639400000000, 0.912391150000000 ] mass: 15.999400 - symbol: O # 116 coordinates: [ 0.299840840000000, 0.075078450000000, 0.557478220000000 ] mass: 15.999400 - symbol: O # 117 coordinates: [ 0.989793960000000, 0.424347230000000, 0.999313490000000 ] mass: 15.999400 - symbol: O # 118 coordinates: [ 0.787202710000000, 0.874185680000000, 0.277500850000000 ] mass: 15.999400 - symbol: O # 119 coordinates: [ 0.859164810000000, 0.250089870000000, 0.267691060000000 ] mass: 15.999400 - symbol: O # 120 coordinates: [ 0.787202710000000, 0.625814320000000, 0.777500850000000 ] mass: 15.999400 - symbol: O # 121 coordinates: [ 0.352498990000000, 0.718408140000000, 0.717855500000000 ] mass: 15.999400 - symbol: O # 122 coordinates: [ 0.616866040000000, 0.006776540000000, 0.250960530000000 ] mass: 15.999400 - symbol: O # 123 coordinates: [ 0.212797290000000, 0.125814320000000, 0.722499150000000 ] mass: 15.999400 - symbol: O # 124 coordinates: [ 0.351360970000000, 0.232866770000000, 0.713360700000000 ] mass: 15.999400 - symbol: O # 125 coordinates: [ 0.102145290000000, 0.065916900000000, 0.227377160000000 ] mass: 15.999400 - symbol: O # 126 coordinates: [ 0.233925080000000, 0.609978290000000, 0.088763320000000 ] mass: 15.999400 - symbol: O # 127 coordinates: [ 0.813718120000000, 0.118869420000000, 0.785380860000000 ] mass: 15.999400 - symbol: O # 128 coordinates: [ 0.233925080000000, 0.890021710000000, 0.588763320000000 ] mass: 15.999400 - symbol: O # 129 coordinates: [ 0.886231410000000, 0.420569910000000, 0.755307840000000 ] mass: 15.999400 - symbol: O # 130 coordinates: [ 0.615189930000000, 0.994440850000000, 0.757164090000000 ] mass: 15.999400 - symbol: O # 131 coordinates: [ 0.501584680000000, 0.129849710000000, 0.904158460000000 ] mass: 15.999400 - symbol: O # 132 coordinates: [ 0.700159160000000, 0.924921550000000, 0.442521780000000 ] mass: 15.999400 - symbol: O # 133 coordinates: [ 0.648639030000000, 0.767133230000000, 0.286639300000000 ] mass: 15.999400 - symbol: O # 134 coordinates: [ 0.991124770000000, 0.466219780000000, 0.197836750000000 ] mass: 15.999400 - symbol: O # 135 coordinates: [ 0.113768590000000, 0.920569910000000, 0.744692160000000 ] mass: 15.999400 - symbol: O # 136 coordinates: [ 0.860286620000000, 0.755718940000000, 0.768704370000000 ] mass: 15.999400 - symbol: O # 137 coordinates: [ 0.886231410000000, 0.079430090000000, 0.255307840000000 ] mass: 15.999400 - symbol: O # 138 coordinates: [ 0.356343160000000, 0.648492520000000, 0.419706250000000 ] mass: 15.999400 - symbol: O # 139 coordinates: [ 0.498133120000000, 0.124860000000000, 0.245905840000000 ] mass: 15.999400 - symbol: O # 140 coordinates: [ 0.113768590000000, 0.579430090000000, 0.244692160000000 ] mass: 15.999400 - symbol: O # 141 coordinates: [ 0.139713380000000, 0.244281060000000, 0.231295630000000 ] mass: 15.999400 - symbol: O # 142 coordinates: [ 0.010206040000000, 0.575652770000000, 0.000686510000000 ] mass: 15.999400 - symbol: O # 143 coordinates: [ 0.813718120000000, 0.381130580000000, 0.285380860000000 ] mass: 15.999400 - symbol: O # 144 coordinates: [ 0.950149610000000, 0.550663950000000, 0.547829880000000 ] mass: 15.999400 - symbol: O # 145 coordinates: [ 0.501866880000000, 0.624860000000000, 0.254094160000000 ] mass: 15.999400 - symbol: O # 146 coordinates: [ 0.726410370000000, 0.424229050000000, 0.469409060000000 ] mass: 15.999400 - symbol: O # 147 coordinates: [ 0.114714590000000, 0.672745320000000, 0.926255270000000 ] mass: 15.999400 - symbol: O # 148 coordinates: [ 0.384810070000000, 0.005559150000000, 0.242835910000000 ] mass: 15.999400 - symbol: O # 149 coordinates: [ 0.352498990000000, 0.781591860000000, 0.217855500000000 ] mass: 15.999400 - symbol: O # 150 coordinates: [ 0.766074920000000, 0.109978290000000, 0.411236680000000 ] mass: 15.999400 - symbol: O # 151 coordinates: [ 0.885285410000000, 0.172745320000000, 0.573744730000000 ] mass: 15.999400 - symbol: O # 152 coordinates: [ 0.885285410000000, 0.327254680000000, 0.073744730000000 ] mass: 15.999400 - symbol: O # 153 coordinates: [ 0.509339210000000, 0.138639400000000, 0.587608850000000 ] mass: 15.999400 - symbol: O # 154 coordinates: [ 0.897854710000000, 0.934083100000000, 0.772622840000000 ] mass: 15.999400 - symbol: O # 155 coordinates: [ 0.273589630000000, 0.575770950000000, 0.530590940000000 ] mass: 15.999400 - symbol: O # 156 coordinates: [ 0.616866040000000, 0.493223460000000, 0.750960530000000 ] mass: 15.999400 - symbol: O # 157 coordinates: [ 0.140835190000000, 0.750089870000000, 0.232308940000000 ] mass: 15.999400 - symbol: O # 158 coordinates: [ 0.498415320000000, 0.629849710000000, 0.595841540000000 ] mass: 15.999400 - symbol: O # 159 coordinates: [ 0.867802360000000, 0.671569440000000, 0.585443020000000 ] mass: 15.999400 - symbol: O # 160 coordinates: [ 0.383133960000000, 0.506776540000000, 0.249039470000000 ] mass: 15.999400 - symbol: O # 161 coordinates: [ 0.653717550000000, 0.865616970000000, 0.584548840000000 ] mass: 15.999400 - symbol: O # 162 coordinates: [ 0.008875230000000, 0.966219780000000, 0.302163250000000 ] mass: 15.999400 - symbol: O # 163 coordinates: [ 0.648639030000000, 0.732866770000000, 0.786639300000000 ] mass: 15.999400 - symbol: O # 164 coordinates: [ 0.356343160000000, 0.851507480000000, 0.919706250000000 ] mass: 15.999400 - symbol: O # 165 coordinates: [ 0.273589630000000, 0.924229050000000, 0.030590940000000 ] mass: 15.999400 - symbol: O # 166 coordinates: [ 0.114714590000000, 0.827254680000000, 0.426255270000000 ] mass: 15.999400 - symbol: O # 167 coordinates: [ 0.346282450000000, 0.134383030000000, 0.415451160000000 ] mass: 15.999400 - symbol: O # 168 coordinates: [ 0.383133960000000, 0.993223460000000, 0.749039470000000 ] mass: 15.999400 - symbol: O # 169 coordinates: [ 0.351360970000000, 0.267133230000000, 0.213360700000000 ] mass: 15.999400 - symbol: O # 170 coordinates: [ 0.615189930000000, 0.505559150000000, 0.257164090000000 ] mass: 15.999400 - symbol: O # 171 coordinates: [ 0.384810070000000, 0.494440850000000, 0.742835910000000 ] mass: 15.999400 - symbol: O # 172 coordinates: [ 0.049850390000000, 0.449336050000000, 0.452170120000000 ] mass: 15.999400 - symbol: O # 173 coordinates: [ 0.212797290000000, 0.374185680000000, 0.222499150000000 ] mass: 15.999400 - symbol: O # 174 coordinates: [ 0.219598350000000, 0.113596330000000, 0.083592460000000 ] mass: 15.999400 - symbol: O # 175 coordinates: [ 0.897854710000000, 0.565916900000000, 0.272622840000000 ] mass: 15.999400 - symbol: O # 176 coordinates: [ 0.049850390000000, 0.050663950000000, 0.952170120000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.094897162747186, 0.000000000000000, 0.035722824014198 ] # a* - [ 0.000000000000000, 0.057407589189602, 0.000000000000000 ] # b* - [ 0.000206840435268, 0.000000000000000, 0.076993103591484 ] # c*unit_cell: lattice: - [ 10.548390339999999, 0.000000000000000, -0.028338040000000 ] # a - [ 0.000000000000000, 17.419299680000002, 0.000000000000000 ] # b - [ -4.894182390000000, 0.000000000000000, 13.001324380000000 ] # c points: - symbol: K # 1 coordinates: [ 0.081288930000000, 0.828133500000000, 0.904207660000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 2 coordinates: [ 0.090079870000000, 0.177528160000000, 0.405082570000000 ] mass: 39.098300 reduced_to: 2 - symbol: K # 3 coordinates: [ 0.298639950000000, 0.468654360000000, 0.397852180000000 ] mass: 39.098300 reduced_to: 3 - symbol: K # 4 coordinates: [ 0.606174810000000, 0.709766550000000, 0.458181560000000 ] mass: 39.098300 reduced_to: 4 - symbol: K # 5 coordinates: [ 0.393825190000000, 0.209766550000000, 0.041818440000000 ] mass: 39.098300 reduced_to: 5 - symbol: K # 6 coordinates: [ 0.918711070000000, 0.328133500000000, 0.595792340000000 ] mass: 39.098300 reduced_to: 6 - symbol: K # 7 coordinates: [ 0.918711070000000, 0.171866500000000, 0.095792340000000 ] mass: 39.098300 reduced_to: 7 - symbol: K # 8 coordinates: [ 0.292318020000000, 0.535899590000000, 0.899215590000000 ] mass: 39.098300 reduced_to: 8 - symbol: K # 9 coordinates: [ 0.394381650000000, 0.712221520000000, 0.047571840000000 ] mass: 39.098300 reduced_to: 9 - symbol: K # 10 coordinates: [ 0.605618350000000, 0.287778480000000, 0.952428160000000 ] mass: 39.098300 reduced_to: 10 - symbol: K # 11 coordinates: [ 0.606174810000000, 0.790233450000000, 0.958181560000000 ] mass: 39.098300 reduced_to: 11 - symbol: K # 12 coordinates: [ 0.909920130000000, 0.822471840000000, 0.594917430000000 ] mass: 39.098300 reduced_to: 12 - symbol: K # 13 coordinates: [ 0.292318020000000, 0.964100410000000, 0.399215590000000 ] mass: 39.098300 reduced_to: 13 - symbol: K # 14 coordinates: [ 0.394381650000000, 0.787778480000000, 0.547571840000000 ] mass: 39.098300 reduced_to: 14 - symbol: K # 15 coordinates: [ 0.605618350000000, 0.212221520000000, 0.452428160000000 ] mass: 39.098300 reduced_to: 15 - symbol: K # 16 coordinates: [ 0.701360050000000, 0.968654360000000, 0.102147820000000 ] mass: 39.098300 reduced_to: 16 - symbol: K # 17 coordinates: [ 0.090079870000000, 0.322471840000000, 0.905082570000000 ] mass: 39.098300 reduced_to: 17 - symbol: K # 18 coordinates: [ 0.707681980000000, 0.464100410000000, 0.100784410000000 ] mass: 39.098300 reduced_to: 18 - symbol: K # 19 coordinates: [ 0.707681980000000, 0.035899590000000, 0.600784410000000 ] mass: 39.098300 reduced_to: 19 - symbol: K # 20 coordinates: [ 0.909920130000000, 0.677528160000000, 0.094917430000000 ] mass: 39.098300 reduced_to: 20 - symbol: K # 21 coordinates: [ 0.298639950000000, 0.031345640000000, 0.897852180000000 ] mass: 39.098300 reduced_to: 21 - symbol: K # 22 coordinates: [ 0.393825190000000, 0.290233450000000, 0.541818440000000 ] mass: 39.098300 reduced_to: 22 - symbol: K # 23 coordinates: [ 0.701360050000000, 0.531345640000000, 0.602147820000000 ] mass: 39.098300 reduced_to: 23 - symbol: K # 24 coordinates: [ 0.081288930000000, 0.671866500000000, 0.404207660000000 ] mass: 39.098300 reduced_to: 24 - symbol: Y # 25 coordinates: [ 0.292164500000000, 0.846523940000000, 0.753171990000000 ] mass: 88.905850 reduced_to: 25 - symbol: Y # 26 coordinates: [ 0.710628510000000, 0.856138770000000, 0.750320670000000 ] mass: 88.905850 reduced_to: 26 - symbol: Y # 27 coordinates: [ 0.166278870000000, 0.514933390000000, 0.611778400000000 ] mass: 88.905850 reduced_to: 27 - symbol: Y # 28 coordinates: [ 0.707835500000000, 0.346523940000000, 0.746828010000000 ] mass: 88.905850 reduced_to: 28 - symbol: Y # 29 coordinates: [ 0.289371490000000, 0.143861230000000, 0.249679330000000 ] mass: 88.905850 reduced_to: 29 - symbol: Y # 30 coordinates: [ 0.528503940000000, 0.620362610000000, 0.763698060000000 ] mass: 88.905850 reduced_to: 30 - symbol: Y # 31 coordinates: [ 0.471496060000000, 0.120362610000000, 0.736301940000000 ] mass: 88.905850 reduced_to: 31 - symbol: Y # 32 coordinates: [ 0.000392170000000, 0.155289020000000, 0.744280410000000 ] mass: 88.905850 reduced_to: 32 - symbol: Y # 33 coordinates: [ 0.166278870000000, 0.985066610000000, 0.111778400000000 ] mass: 88.905850 reduced_to: 33 - symbol: Y # 34 coordinates: [ 0.707835500000000, 0.153476060000000, 0.246828010000000 ] mass: 88.905850 reduced_to: 34 - symbol: Y # 35 coordinates: [ 0.999607830000000, 0.844710980000000, 0.255719590000000 ] mass: 88.905850 reduced_to: 35 - symbol: Y # 36 coordinates: [ 0.528503940000000, 0.879637390000000, 0.263698060000000 ] mass: 88.905850 reduced_to: 36 - symbol: Y # 37 coordinates: [ 0.156679560000000, 0.486488900000000, 0.120330420000000 ] mass: 88.905850 reduced_to: 37 - symbol: Y # 38 coordinates: [ 0.833721130000000, 0.014933390000000, 0.888221600000000 ] mass: 88.905850 reduced_to: 38 - symbol: Y # 39 coordinates: [ 0.289371490000000, 0.356138770000000, 0.749679330000000 ] mass: 88.905850 reduced_to: 39 - symbol: Y # 40 coordinates: [ 0.156679560000000, 0.013511100000000, 0.620330420000000 ] mass: 88.905850 reduced_to: 40 - symbol: Y # 41 coordinates: [ 0.999607830000000, 0.655289020000000, 0.755719590000000 ] mass: 88.905850 reduced_to: 41 - symbol: Y # 42 coordinates: [ 0.292164500000000, 0.653476060000000, 0.253171990000000 ] mass: 88.905850 reduced_to: 42 - symbol: Y # 43 coordinates: [ 0.000392170000000, 0.344710980000000, 0.244280410000000 ] mass: 88.905850 reduced_to: 43 - symbol: Y # 44 coordinates: [ 0.843320440000000, 0.986488900000000, 0.379669580000000 ] mass: 88.905850 reduced_to: 44 - symbol: Y # 45 coordinates: [ 0.843320440000000, 0.513511100000000, 0.879669580000000 ] mass: 88.905850 reduced_to: 45 - symbol: Y # 46 coordinates: [ 0.833721130000000, 0.485066610000000, 0.388221600000000 ] mass: 88.905850 reduced_to: 46 - symbol: Y # 47 coordinates: [ 0.710628510000000, 0.643861230000000, 0.250320670000000 ] mass: 88.905850 reduced_to: 47 - symbol: Y # 48 coordinates: [ 0.471496060000000, 0.379637390000000, 0.236301940000000 ] mass: 88.905850 reduced_to: 48 - symbol: B # 49 coordinates: [ 0.230406490000000, 0.806089400000000, 0.220104990000000 ] mass: 10.811000 reduced_to: 49 - symbol: B # 50 coordinates: [ 0.499482510000000, 0.954832960000000, 0.753415010000000 ] mass: 10.811000 reduced_to: 50 - symbol: B # 51 coordinates: [ 0.377410510000000, 0.617521050000000, 0.516761680000000 ] mass: 10.811000 reduced_to: 51 - symbol: B # 52 coordinates: [ 0.385399690000000, 0.384977720000000, 0.018945100000000 ] mass: 10.811000 reduced_to: 52 - symbol: B # 53 coordinates: [ 0.000186780000000, 0.461847330000000, 0.759041690000000 ] mass: 10.811000 reduced_to: 53 - symbol: B # 54 coordinates: [ 0.999813220000000, 0.961847330000000, 0.740958310000000 ] mass: 10.811000 reduced_to: 54 - symbol: B # 55 coordinates: [ 0.769593510000000, 0.306089400000000, 0.279895010000000 ] mass: 10.811000 reduced_to: 55 - symbol: B # 56 coordinates: [ 0.117225790000000, 0.877652030000000, 0.501908940000000 ] mass: 10.811000 reduced_to: 56 - symbol: B # 57 coordinates: [ 0.233982930000000, 0.296244700000000, 0.220795060000000 ] mass: 10.811000 reduced_to: 57 - symbol: B # 58 coordinates: [ 0.000186780000000, 0.038152670000000, 0.259041690000000 ] mass: 10.811000 reduced_to: 58 - symbol: B # 59 coordinates: [ 0.500517490000000, 0.454832960000000, 0.746584990000000 ] mass: 10.811000 reduced_to: 59 - symbol: B # 60 coordinates: [ 0.766017070000000, 0.703755300000000, 0.779204940000000 ] mass: 10.811000 reduced_to: 60 - symbol: B # 61 coordinates: [ 0.614600310000000, 0.615022280000000, 0.981054900000000 ] mass: 10.811000 reduced_to: 61 - symbol: B # 62 coordinates: [ 0.385399690000000, 0.115022280000000, 0.518945100000000 ] mass: 10.811000 reduced_to: 62 - symbol: B # 63 coordinates: [ 0.766017070000000, 0.796244700000000, 0.279204940000000 ] mass: 10.811000 reduced_to: 63 - symbol: B # 64 coordinates: [ 0.999813220000000, 0.538152670000000, 0.240958310000000 ] mass: 10.811000 reduced_to: 64 - symbol: B # 65 coordinates: [ 0.614600310000000, 0.884977720000000, 0.481054900000000 ] mass: 10.811000 reduced_to: 65 - symbol: B # 66 coordinates: [ 0.869661860000000, 0.615551170000000, 0.518355120000000 ] mass: 10.811000 reduced_to: 66 - symbol: B # 67 coordinates: [ 0.130338140000000, 0.384448830000000, 0.481644880000000 ] mass: 10.811000 reduced_to: 67 - symbol: B # 68 coordinates: [ 0.117225790000000, 0.622347970000000, 0.001908940000000 ] mass: 10.811000 reduced_to: 68 - symbol: B # 69 coordinates: [ 0.882774210000000, 0.122347970000000, 0.498091060000000 ] mass: 10.811000 reduced_to: 69 - symbol: B # 70 coordinates: [ 0.869661860000000, 0.884448830000000, 0.018355120000000 ] mass: 10.811000 reduced_to: 70 - symbol: B # 71 coordinates: [ 0.622589490000000, 0.382478950000000, 0.483238320000000 ] mass: 10.811000 reduced_to: 71 - symbol: B # 72 coordinates: [ 0.769593510000000, 0.193910600000000, 0.779895010000000 ] mass: 10.811000 reduced_to: 72 - symbol: B # 73 coordinates: [ 0.882774210000000, 0.377652030000000, 0.998091060000000 ] mass: 10.811000 reduced_to: 73 - symbol: B # 74 coordinates: [ 0.622589490000000, 0.117521050000000, 0.983238320000000 ] mass: 10.811000 reduced_to: 74 - symbol: B # 75 coordinates: [ 0.377410510000000, 0.882478950000000, 0.016761680000000 ] mass: 10.811000 reduced_to: 75 - symbol: B # 76 coordinates: [ 0.130338140000000, 0.115551170000000, 0.981644880000000 ] mass: 10.811000 reduced_to: 76 - symbol: B # 77 coordinates: [ 0.500517490000000, 0.045167040000000, 0.246584990000000 ] mass: 10.811000 reduced_to: 77 - symbol: B # 78 coordinates: [ 0.233982930000000, 0.203755300000000, 0.720795060000000 ] mass: 10.811000 reduced_to: 78 - symbol: B # 79 coordinates: [ 0.499482510000000, 0.545167040000000, 0.253415010000000 ] mass: 10.811000 reduced_to: 79 - symbol: B # 80 coordinates: [ 0.230406490000000, 0.693910600000000, 0.720104990000000 ] mass: 10.811000 reduced_to: 80 - symbol: O # 81 coordinates: [ 0.647501010000000, 0.218408140000000, 0.782144500000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.346282450000000, 0.365616970000000, 0.915451160000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 83 coordinates: [ 0.950149610000000, 0.949336050000000, 0.047829880000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 84 coordinates: [ 0.859164810000000, 0.249910130000000, 0.767691060000000 ] mass: 15.999400 reduced_to: 84 - symbol: O # 85 coordinates: [ 0.186281880000000, 0.618869420000000, 0.714619140000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.498415320000000, 0.870150290000000, 0.095841540000000 ] mass: 15.999400 reduced_to: 86 - symbol: O # 87 coordinates: [ 0.726410370000000, 0.075770950000000, 0.969409060000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 88 coordinates: [ 0.010206040000000, 0.924347230000000, 0.500686510000000 ] mass: 15.999400 reduced_to: 88 - symbol: O # 89 coordinates: [ 0.643656840000000, 0.148492520000000, 0.080293750000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.647501010000000, 0.281591860000000, 0.282144500000000 ] mass: 15.999400 reduced_to: 90 - symbol: O # 91 coordinates: [ 0.766074920000000, 0.390021710000000, 0.911236680000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.139713380000000, 0.255718940000000, 0.731295630000000 ] mass: 15.999400 reduced_to: 92 - symbol: O # 93 coordinates: [ 0.490660790000000, 0.861360600000000, 0.412391150000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.780401650000000, 0.613596330000000, 0.416407540000000 ] mass: 15.999400 reduced_to: 94 - symbol: O # 95 coordinates: [ 0.008875230000000, 0.533780220000000, 0.802163250000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 96 coordinates: [ 0.498133120000000, 0.375140000000000, 0.745905840000000 ] mass: 15.999400 reduced_to: 96 - symbol: O # 97 coordinates: [ 0.140835190000000, 0.749910130000000, 0.732308940000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.991124770000000, 0.033780220000000, 0.697836750000000 ] mass: 15.999400 reduced_to: 98 - symbol: O # 99 coordinates: [ 0.643656840000000, 0.351507480000000, 0.580293750000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 100 coordinates: [ 0.102145290000000, 0.434083100000000, 0.727377160000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 101 coordinates: [ 0.653717550000000, 0.634383030000000, 0.084548840000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.219598350000000, 0.386403670000000, 0.583592460000000 ] mass: 15.999400 reduced_to: 102 - symbol: O # 103 coordinates: [ 0.780401650000000, 0.886403670000000, 0.916407540000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 104 coordinates: [ 0.501866880000000, 0.875140000000000, 0.754094160000000 ] mass: 15.999400 reduced_to: 104 - symbol: O # 105 coordinates: [ 0.860286620000000, 0.744281060000000, 0.268704370000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 106 coordinates: [ 0.700159160000000, 0.575078450000000, 0.942521780000000 ] mass: 15.999400 reduced_to: 106 - symbol: O # 107 coordinates: [ 0.501584680000000, 0.370150290000000, 0.404158460000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 108 coordinates: [ 0.509339210000000, 0.361360600000000, 0.087608850000000 ] mass: 15.999400 reduced_to: 108 - symbol: O # 109 coordinates: [ 0.299840840000000, 0.424921550000000, 0.057478220000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.132197640000000, 0.328430560000000, 0.414556980000000 ] mass: 15.999400 reduced_to: 110 - symbol: O # 111 coordinates: [ 0.132197640000000, 0.171569440000000, 0.914556980000000 ] mass: 15.999400 reduced_to: 111 - symbol: O # 112 coordinates: [ 0.989793960000000, 0.075652770000000, 0.499313490000000 ] mass: 15.999400 reduced_to: 112 - symbol: O # 113 coordinates: [ 0.867802360000000, 0.828430560000000, 0.085443020000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 114 coordinates: [ 0.186281880000000, 0.881130580000000, 0.214619140000000 ] mass: 15.999400 reduced_to: 114 - symbol: O # 115 coordinates: [ 0.490660790000000, 0.638639400000000, 0.912391150000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 116 coordinates: [ 0.299840840000000, 0.075078450000000, 0.557478220000000 ] mass: 15.999400 reduced_to: 116 - symbol: O # 117 coordinates: [ 0.989793960000000, 0.424347230000000, 0.999313490000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 118 coordinates: [ 0.787202710000000, 0.874185680000000, 0.277500850000000 ] mass: 15.999400 reduced_to: 118 - symbol: O # 119 coordinates: [ 0.859164810000000, 0.250089870000000, 0.267691060000000 ] mass: 15.999400 reduced_to: 119 - symbol: O # 120 coordinates: [ 0.787202710000000, 0.625814320000000, 0.777500850000000 ] mass: 15.999400 reduced_to: 120 - symbol: O # 121 coordinates: [ 0.352498990000000, 0.718408140000000, 0.717855500000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 122 coordinates: [ 0.616866040000000, 0.006776540000000, 0.250960530000000 ] mass: 15.999400 reduced_to: 122 - symbol: O # 123 coordinates: [ 0.212797290000000, 0.125814320000000, 0.722499150000000 ] mass: 15.999400 reduced_to: 123 - symbol: O # 124 coordinates: [ 0.351360970000000, 0.232866770000000, 0.713360700000000 ] mass: 15.999400 reduced_to: 124 - symbol: O # 125 coordinates: [ 0.102145290000000, 0.065916900000000, 0.227377160000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 126 coordinates: [ 0.233925080000000, 0.609978290000000, 0.088763320000000 ] mass: 15.999400 reduced_to: 126 - symbol: O # 127 coordinates: [ 0.813718120000000, 0.118869420000000, 0.785380860000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 128 coordinates: [ 0.233925080000000, 0.890021710000000, 0.588763320000000 ] mass: 15.999400 reduced_to: 128 - symbol: O # 129 coordinates: [ 0.886231410000000, 0.420569910000000, 0.755307840000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 130 coordinates: [ 0.615189930000000, 0.994440850000000, 0.757164090000000 ] mass: 15.999400 reduced_to: 130 - symbol: O # 131 coordinates: [ 0.501584680000000, 0.129849710000000, 0.904158460000000 ] mass: 15.999400 reduced_to: 131 - symbol: O # 132 coordinates: [ 0.700159160000000, 0.924921550000000, 0.442521780000000 ] mass: 15.999400 reduced_to: 132 - symbol: O # 133 coordinates: [ 0.648639030000000, 0.767133230000000, 0.286639300000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 134 coordinates: [ 0.991124770000000, 0.466219780000000, 0.197836750000000 ] mass: 15.999400 reduced_to: 134 - symbol: O # 135 coordinates: [ 0.113768590000000, 0.920569910000000, 0.744692160000000 ] mass: 15.999400 reduced_to: 135 - symbol: O # 136 coordinates: [ 0.860286620000000, 0.755718940000000, 0.768704370000000 ] mass: 15.999400 reduced_to: 136 - symbol: O # 137 coordinates: [ 0.886231410000000, 0.079430090000000, 0.255307840000000 ] mass: 15.999400 reduced_to: 137 - symbol: O # 138 coordinates: [ 0.356343160000000, 0.648492520000000, 0.419706250000000 ] mass: 15.999400 reduced_to: 138 - symbol: O # 139 coordinates: [ 0.498133120000000, 0.124860000000000, 0.245905840000000 ] mass: 15.999400 reduced_to: 139 - symbol: O # 140 coordinates: [ 0.113768590000000, 0.579430090000000, 0.244692160000000 ] mass: 15.999400 reduced_to: 140 - symbol: O # 141 coordinates: [ 0.139713380000000, 0.244281060000000, 0.231295630000000 ] mass: 15.999400 reduced_to: 141 - symbol: O # 142 coordinates: [ 0.010206040000000, 0.575652770000000, 0.000686510000000 ] mass: 15.999400 reduced_to: 142 - symbol: O # 143 coordinates: [ 0.813718120000000, 0.381130580000000, 0.285380860000000 ] mass: 15.999400 reduced_to: 143 - symbol: O # 144 coordinates: [ 0.950149610000000, 0.550663950000000, 0.547829880000000 ] mass: 15.999400 reduced_to: 144 - symbol: O # 145 coordinates: [ 0.501866880000000, 0.624860000000000, 0.254094160000000 ] mass: 15.999400 reduced_to: 145 - symbol: O # 146 coordinates: [ 0.726410370000000, 0.424229050000000, 0.469409060000000 ] mass: 15.999400 reduced_to: 146 - symbol: O # 147 coordinates: [ 0.114714590000000, 0.672745320000000, 0.926255270000000 ] mass: 15.999400 reduced_to: 147 - symbol: O # 148 coordinates: [ 0.384810070000000, 0.005559150000000, 0.242835910000000 ] mass: 15.999400 reduced_to: 148 - symbol: O # 149 coordinates: [ 0.352498990000000, 0.781591860000000, 0.217855500000000 ] mass: 15.999400 reduced_to: 149 - symbol: O # 150 coordinates: [ 0.766074920000000, 0.109978290000000, 0.411236680000000 ] mass: 15.999400 reduced_to: 150 - symbol: O # 151 coordinates: [ 0.885285410000000, 0.172745320000000, 0.573744730000000 ] mass: 15.999400 reduced_to: 151 - symbol: O # 152 coordinates: [ 0.885285410000000, 0.327254680000000, 0.073744730000000 ] mass: 15.999400 reduced_to: 152 - symbol: O # 153 coordinates: [ 0.509339210000000, 0.138639400000000, 0.587608850000000 ] mass: 15.999400 reduced_to: 153 - symbol: O # 154 coordinates: [ 0.897854710000000, 0.934083100000000, 0.772622840000000 ] mass: 15.999400 reduced_to: 154 - symbol: O # 155 coordinates: [ 0.273589630000000, 0.575770950000000, 0.530590940000000 ] mass: 15.999400 reduced_to: 155 - symbol: O # 156 coordinates: [ 0.616866040000000, 0.493223460000000, 0.750960530000000 ] mass: 15.999400 reduced_to: 156 - symbol: O # 157 coordinates: [ 0.140835190000000, 0.750089870000000, 0.232308940000000 ] mass: 15.999400 reduced_to: 157 - symbol: O # 158 coordinates: [ 0.498415320000000, 0.629849710000000, 0.595841540000000 ] mass: 15.999400 reduced_to: 158 - symbol: O # 159 coordinates: [ 0.867802360000000, 0.671569440000000, 0.585443020000000 ] mass: 15.999400 reduced_to: 159 - symbol: O # 160 coordinates: [ 0.383133960000000, 0.506776540000000, 0.249039470000000 ] mass: 15.999400 reduced_to: 160 - symbol: O # 161 coordinates: [ 0.653717550000000, 0.865616970000000, 0.584548840000000 ] mass: 15.999400 reduced_to: 161 - symbol: O # 162 coordinates: [ 0.008875230000000, 0.966219780000000, 0.302163250000000 ] mass: 15.999400 reduced_to: 162 - symbol: O # 163 coordinates: [ 0.648639030000000, 0.732866770000000, 0.786639300000000 ] mass: 15.999400 reduced_to: 163 - symbol: O # 164 coordinates: [ 0.356343160000000, 0.851507480000000, 0.919706250000000 ] mass: 15.999400 reduced_to: 164 - symbol: O # 165 coordinates: [ 0.273589630000000, 0.924229050000000, 0.030590940000000 ] mass: 15.999400 reduced_to: 165 - symbol: O # 166 coordinates: [ 0.114714590000000, 0.827254680000000, 0.426255270000000 ] mass: 15.999400 reduced_to: 166 - symbol: O # 167 coordinates: [ 0.346282450000000, 0.134383030000000, 0.415451160000000 ] mass: 15.999400 reduced_to: 167 - symbol: O # 168 coordinates: [ 0.383133960000000, 0.993223460000000, 0.749039470000000 ] mass: 15.999400 reduced_to: 168 - symbol: O # 169 coordinates: [ 0.351360970000000, 0.267133230000000, 0.213360700000000 ] mass: 15.999400 reduced_to: 169 - symbol: O # 170 coordinates: [ 0.615189930000000, 0.505559150000000, 0.257164090000000 ] mass: 15.999400 reduced_to: 170 - symbol: O # 171 coordinates: [ 0.384810070000000, 0.494440850000000, 0.742835910000000 ] mass: 15.999400 reduced_to: 171 - symbol: O # 172 coordinates: [ 0.049850390000000, 0.449336050000000, 0.452170120000000 ] mass: 15.999400 reduced_to: 172 - symbol: O # 173 coordinates: [ 0.212797290000000, 0.374185680000000, 0.222499150000000 ] mass: 15.999400 reduced_to: 173 - symbol: O # 174 coordinates: [ 0.219598350000000, 0.113596330000000, 0.083592460000000 ] mass: 15.999400 reduced_to: 174 - symbol: O # 175 coordinates: [ 0.897854710000000, 0.565916900000000, 0.272622840000000 ] mass: 15.999400 reduced_to: 175 - symbol: O # 176 coordinates: [ 0.049850390000000, 0.050663950000000, 0.952170120000000 ] mass: 15.999400 reduced_to: 176supercell: lattice: - [ 10.548390339999999, 0.000000000000000, -0.028338040000000 ] # a - [ 0.000000000000000, 17.419299680000002, 0.000000000000000 ] # b - [ -4.894182390000000, 0.000000000000000, 13.001324380000000 ] # c points: - symbol: K # 1 coordinates: [ 0.081288930000000, 0.828133500000000, 0.904207660000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 2 coordinates: [ 0.090079870000000, 0.177528160000000, 0.405082570000000 ] mass: 39.098300 reduced_to: 2 - symbol: K # 3 coordinates: [ 0.298639950000000, 0.468654360000000, 0.397852180000000 ] mass: 39.098300 reduced_to: 3 - symbol: K # 4 coordinates: [ 0.606174810000000, 0.709766550000000, 0.458181560000000 ] mass: 39.098300 reduced_to: 4 - symbol: K # 5 coordinates: [ 0.393825190000000, 0.209766550000000, 0.041818440000000 ] mass: 39.098300 reduced_to: 5 - symbol: K # 6 coordinates: [ 0.918711070000000, 0.328133500000000, 0.595792340000000 ] mass: 39.098300 reduced_to: 6 - symbol: K # 7 coordinates: [ 0.918711070000000, 0.171866500000000, 0.095792340000000 ] mass: 39.098300 reduced_to: 7 - symbol: K # 8 coordinates: [ 0.292318020000000, 0.535899590000000, 0.899215590000000 ] mass: 39.098300 reduced_to: 8 - symbol: K # 9 coordinates: [ 0.394381650000000, 0.712221520000000, 0.047571840000000 ] mass: 39.098300 reduced_to: 9 - symbol: K # 10 coordinates: [ 0.605618350000000, 0.287778480000000, 0.952428160000000 ] mass: 39.098300 reduced_to: 10 - symbol: K # 11 coordinates: [ 0.606174810000000, 0.790233450000000, 0.958181560000000 ] mass: 39.098300 reduced_to: 11 - symbol: K # 12 coordinates: [ 0.909920130000000, 0.822471840000000, 0.594917430000000 ] mass: 39.098300 reduced_to: 12 - symbol: K # 13 coordinates: [ 0.292318020000000, 0.964100410000000, 0.399215590000000 ] mass: 39.098300 reduced_to: 13 - symbol: K # 14 coordinates: [ 0.394381650000000, 0.787778480000000, 0.547571840000000 ] mass: 39.098300 reduced_to: 14 - symbol: K # 15 coordinates: [ 0.605618350000000, 0.212221520000000, 0.452428160000000 ] mass: 39.098300 reduced_to: 15 - symbol: K # 16 coordinates: [ 0.701360050000000, 0.968654360000000, 0.102147820000000 ] mass: 39.098300 reduced_to: 16 - symbol: K # 17 coordinates: [ 0.090079870000000, 0.322471840000000, 0.905082570000000 ] mass: 39.098300 reduced_to: 17 - symbol: K # 18 coordinates: [ 0.707681980000000, 0.464100410000000, 0.100784410000000 ] mass: 39.098300 reduced_to: 18 - symbol: K # 19 coordinates: [ 0.707681980000000, 0.035899590000000, 0.600784410000000 ] mass: 39.098300 reduced_to: 19 - symbol: K # 20 coordinates: [ 0.909920130000000, 0.677528160000000, 0.094917430000000 ] mass: 39.098300 reduced_to: 20 - symbol: K # 21 coordinates: [ 0.298639950000000, 0.031345640000000, 0.897852180000000 ] mass: 39.098300 reduced_to: 21 - symbol: K # 22 coordinates: [ 0.393825190000000, 0.290233450000000, 0.541818440000000 ] mass: 39.098300 reduced_to: 22 - symbol: K # 23 coordinates: [ 0.701360050000000, 0.531345640000000, 0.602147820000000 ] mass: 39.098300 reduced_to: 23 - symbol: K # 24 coordinates: [ 0.081288930000000, 0.671866500000000, 0.404207660000000 ] mass: 39.098300 reduced_to: 24 - symbol: Y # 25 coordinates: [ 0.292164500000000, 0.846523940000000, 0.753171990000000 ] mass: 88.905850 reduced_to: 25 - symbol: Y # 26 coordinates: [ 0.710628510000000, 0.856138770000000, 0.750320670000000 ] mass: 88.905850 reduced_to: 26 - symbol: Y # 27 coordinates: [ 0.166278870000000, 0.514933390000000, 0.611778400000000 ] mass: 88.905850 reduced_to: 27 - symbol: Y # 28 coordinates: [ 0.707835500000000, 0.346523940000000, 0.746828010000000 ] mass: 88.905850 reduced_to: 28 - symbol: Y # 29 coordinates: [ 0.289371490000000, 0.143861230000000, 0.249679330000000 ] mass: 88.905850 reduced_to: 29 - symbol: Y # 30 coordinates: [ 0.528503940000000, 0.620362610000000, 0.763698060000000 ] mass: 88.905850 reduced_to: 30 - symbol: Y # 31 coordinates: [ 0.471496060000000, 0.120362610000000, 0.736301940000000 ] mass: 88.905850 reduced_to: 31 - symbol: Y # 32 coordinates: [ 0.000392170000000, 0.155289020000000, 0.744280410000000 ] mass: 88.905850 reduced_to: 32 - symbol: Y # 33 coordinates: [ 0.166278870000000, 0.985066610000000, 0.111778400000000 ] mass: 88.905850 reduced_to: 33 - symbol: Y # 34 coordinates: [ 0.707835500000000, 0.153476060000000, 0.246828010000000 ] mass: 88.905850 reduced_to: 34 - symbol: Y # 35 coordinates: [ 0.999607830000000, 0.844710980000000, 0.255719590000000 ] mass: 88.905850 reduced_to: 35 - symbol: Y # 36 coordinates: [ 0.528503940000000, 0.879637390000000, 0.263698060000000 ] mass: 88.905850 reduced_to: 36 - symbol: Y # 37 coordinates: [ 0.156679560000000, 0.486488900000000, 0.120330420000000 ] mass: 88.905850 reduced_to: 37 - symbol: Y # 38 coordinates: [ 0.833721130000000, 0.014933390000000, 0.888221600000000 ] mass: 88.905850 reduced_to: 38 - symbol: Y # 39 coordinates: [ 0.289371490000000, 0.356138770000000, 0.749679330000000 ] mass: 88.905850 reduced_to: 39 - symbol: Y # 40 coordinates: [ 0.156679560000000, 0.013511100000000, 0.620330420000000 ] mass: 88.905850 reduced_to: 40 - symbol: Y # 41 coordinates: [ 0.999607830000000, 0.655289020000000, 0.755719590000000 ] mass: 88.905850 reduced_to: 41 - symbol: Y # 42 coordinates: [ 0.292164500000000, 0.653476060000000, 0.253171990000000 ] mass: 88.905850 reduced_to: 42 - symbol: Y # 43 coordinates: [ 0.000392170000000, 0.344710980000000, 0.244280410000000 ] mass: 88.905850 reduced_to: 43 - symbol: Y # 44 coordinates: [ 0.843320440000000, 0.986488900000000, 0.379669580000000 ] mass: 88.905850 reduced_to: 44 - symbol: Y # 45 coordinates: [ 0.843320440000000, 0.513511100000000, 0.879669580000000 ] mass: 88.905850 reduced_to: 45 - symbol: Y # 46 coordinates: [ 0.833721130000000, 0.485066610000000, 0.388221600000000 ] mass: 88.905850 reduced_to: 46 - symbol: Y # 47 coordinates: [ 0.710628510000000, 0.643861230000000, 0.250320670000000 ] mass: 88.905850 reduced_to: 47 - symbol: Y # 48 coordinates: [ 0.471496060000000, 0.379637390000000, 0.236301940000000 ] mass: 88.905850 reduced_to: 48 - symbol: B # 49 coordinates: [ 0.230406490000000, 0.806089400000000, 0.220104990000000 ] mass: 10.811000 reduced_to: 49 - symbol: B # 50 coordinates: [ 0.499482510000000, 0.954832960000000, 0.753415010000000 ] mass: 10.811000 reduced_to: 50 - symbol: B # 51 coordinates: [ 0.377410510000000, 0.617521050000000, 0.516761680000000 ] mass: 10.811000 reduced_to: 51 - symbol: B # 52 coordinates: [ 0.385399690000000, 0.384977720000000, 0.018945100000000 ] mass: 10.811000 reduced_to: 52 - symbol: B # 53 coordinates: [ 0.000186780000000, 0.461847330000000, 0.759041690000000 ] mass: 10.811000 reduced_to: 53 - symbol: B # 54 coordinates: [ 0.999813220000000, 0.961847330000000, 0.740958310000000 ] mass: 10.811000 reduced_to: 54 - symbol: B # 55 coordinates: [ 0.769593510000000, 0.306089400000000, 0.279895010000000 ] mass: 10.811000 reduced_to: 55 - symbol: B # 56 coordinates: [ 0.117225790000000, 0.877652030000000, 0.501908940000000 ] mass: 10.811000 reduced_to: 56 - symbol: B # 57 coordinates: [ 0.233982930000000, 0.296244700000000, 0.220795060000000 ] mass: 10.811000 reduced_to: 57 - symbol: B # 58 coordinates: [ 0.000186780000000, 0.038152670000000, 0.259041690000000 ] mass: 10.811000 reduced_to: 58 - symbol: B # 59 coordinates: [ 0.500517490000000, 0.454832960000000, 0.746584990000000 ] mass: 10.811000 reduced_to: 59 - symbol: B # 60 coordinates: [ 0.766017070000000, 0.703755300000000, 0.779204940000000 ] mass: 10.811000 reduced_to: 60 - symbol: B # 61 coordinates: [ 0.614600310000000, 0.615022280000000, 0.981054900000000 ] mass: 10.811000 reduced_to: 61 - symbol: B # 62 coordinates: [ 0.385399690000000, 0.115022280000000, 0.518945100000000 ] mass: 10.811000 reduced_to: 62 - symbol: B # 63 coordinates: [ 0.766017070000000, 0.796244700000000, 0.279204940000000 ] mass: 10.811000 reduced_to: 63 - symbol: B # 64 coordinates: [ 0.999813220000000, 0.538152670000000, 0.240958310000000 ] mass: 10.811000 reduced_to: 64 - symbol: B # 65 coordinates: [ 0.614600310000000, 0.884977720000000, 0.481054900000000 ] mass: 10.811000 reduced_to: 65 - symbol: B # 66 coordinates: [ 0.869661860000000, 0.615551170000000, 0.518355120000000 ] mass: 10.811000 reduced_to: 66 - symbol: B # 67 coordinates: [ 0.130338140000000, 0.384448830000000, 0.481644880000000 ] mass: 10.811000 reduced_to: 67 - symbol: B # 68 coordinates: [ 0.117225790000000, 0.622347970000000, 0.001908940000000 ] mass: 10.811000 reduced_to: 68 - symbol: B # 69 coordinates: [ 0.882774210000000, 0.122347970000000, 0.498091060000000 ] mass: 10.811000 reduced_to: 69 - symbol: B # 70 coordinates: [ 0.869661860000000, 0.884448830000000, 0.018355120000000 ] mass: 10.811000 reduced_to: 70 - symbol: B # 71 coordinates: [ 0.622589490000000, 0.382478950000000, 0.483238320000000 ] mass: 10.811000 reduced_to: 71 - symbol: B # 72 coordinates: [ 0.769593510000000, 0.193910600000000, 0.779895010000000 ] mass: 10.811000 reduced_to: 72 - symbol: B # 73 coordinates: [ 0.882774210000000, 0.377652030000000, 0.998091060000000 ] mass: 10.811000 reduced_to: 73 - symbol: B # 74 coordinates: [ 0.622589490000000, 0.117521050000000, 0.983238320000000 ] mass: 10.811000 reduced_to: 74 - symbol: B # 75 coordinates: [ 0.377410510000000, 0.882478950000000, 0.016761680000000 ] mass: 10.811000 reduced_to: 75 - symbol: B # 76 coordinates: [ 0.130338140000000, 0.115551170000000, 0.981644880000000 ] mass: 10.811000 reduced_to: 76 - symbol: B # 77 coordinates: [ 0.500517490000000, 0.045167040000000, 0.246584990000000 ] mass: 10.811000 reduced_to: 77 - symbol: B # 78 coordinates: [ 0.233982930000000, 0.203755300000000, 0.720795060000000 ] mass: 10.811000 reduced_to: 78 - symbol: B # 79 coordinates: [ 0.499482510000000, 0.545167040000000, 0.253415010000000 ] mass: 10.811000 reduced_to: 79 - symbol: B # 80 coordinates: [ 0.230406490000000, 0.693910600000000, 0.720104990000000 ] mass: 10.811000 reduced_to: 80 - symbol: O # 81 coordinates: [ 0.647501010000000, 0.218408140000000, 0.782144500000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.346282450000000, 0.365616970000000, 0.915451160000000 ] mass: 15.999400 reduced_to: 82 - symbol: O # 83 coordinates: [ 0.950149610000000, 0.949336050000000, 0.047829880000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 84 coordinates: [ 0.859164810000000, 0.249910130000000, 0.767691060000000 ] mass: 15.999400 reduced_to: 84 - symbol: O # 85 coordinates: [ 0.186281880000000, 0.618869420000000, 0.714619140000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.498415320000000, 0.870150290000000, 0.095841540000000 ] mass: 15.999400 reduced_to: 86 - symbol: O # 87 coordinates: [ 0.726410370000000, 0.075770950000000, 0.969409060000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 88 coordinates: [ 0.010206040000000, 0.924347230000000, 0.500686510000000 ] mass: 15.999400 reduced_to: 88 - symbol: O # 89 coordinates: [ 0.643656840000000, 0.148492520000000, 0.080293750000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.647501010000000, 0.281591860000000, 0.282144500000000 ] mass: 15.999400 reduced_to: 90 - symbol: O # 91 coordinates: [ 0.766074920000000, 0.390021710000000, 0.911236680000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.139713380000000, 0.255718940000000, 0.731295630000000 ] mass: 15.999400 reduced_to: 92 - symbol: O # 93 coordinates: [ 0.490660790000000, 0.861360600000000, 0.412391150000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.780401650000000, 0.613596330000000, 0.416407540000000 ] mass: 15.999400 reduced_to: 94 - symbol: O # 95 coordinates: [ 0.008875230000000, 0.533780220000000, 0.802163250000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 96 coordinates: [ 0.498133120000000, 0.375140000000000, 0.745905840000000 ] mass: 15.999400 reduced_to: 96 - symbol: O # 97 coordinates: [ 0.140835190000000, 0.749910130000000, 0.732308940000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.991124770000000, 0.033780220000000, 0.697836750000000 ] mass: 15.999400 reduced_to: 98 - symbol: O # 99 coordinates: [ 0.643656840000000, 0.351507480000000, 0.580293750000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 100 coordinates: [ 0.102145290000000, 0.434083100000000, 0.727377160000000 ] mass: 15.999400 reduced_to: 100 - symbol: O # 101 coordinates: [ 0.653717550000000, 0.634383030000000, 0.084548840000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.219598350000000, 0.386403670000000, 0.583592460000000 ] mass: 15.999400 reduced_to: 102 - symbol: O # 103 coordinates: [ 0.780401650000000, 0.886403670000000, 0.916407540000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 104 coordinates: [ 0.501866880000000, 0.875140000000000, 0.754094160000000 ] mass: 15.999400 reduced_to: 104 - symbol: O # 105 coordinates: [ 0.860286620000000, 0.744281060000000, 0.268704370000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 106 coordinates: [ 0.700159160000000, 0.575078450000000, 0.942521780000000 ] mass: 15.999400 reduced_to: 106 - symbol: O # 107 coordinates: [ 0.501584680000000, 0.370150290000000, 0.404158460000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 108 coordinates: [ 0.509339210000000, 0.361360600000000, 0.087608850000000 ] mass: 15.999400 reduced_to: 108 - symbol: O # 109 coordinates: [ 0.299840840000000, 0.424921550000000, 0.057478220000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.132197640000000, 0.328430560000000, 0.414556980000000 ] mass: 15.999400 reduced_to: 110 - symbol: O # 111 coordinates: [ 0.132197640000000, 0.171569440000000, 0.914556980000000 ] mass: 15.999400 reduced_to: 111 - symbol: O # 112 coordinates: [ 0.989793960000000, 0.075652770000000, 0.499313490000000 ] mass: 15.999400 reduced_to: 112 - symbol: O # 113 coordinates: [ 0.867802360000000, 0.828430560000000, 0.085443020000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 114 coordinates: [ 0.186281880000000, 0.881130580000000, 0.214619140000000 ] mass: 15.999400 reduced_to: 114 - symbol: O # 115 coordinates: [ 0.490660790000000, 0.638639400000000, 0.912391150000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 116 coordinates: [ 0.299840840000000, 0.075078450000000, 0.557478220000000 ] mass: 15.999400 reduced_to: 116 - symbol: O # 117 coordinates: [ 0.989793960000000, 0.424347230000000, 0.999313490000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 118 coordinates: [ 0.787202710000000, 0.874185680000000, 0.277500850000000 ] mass: 15.999400 reduced_to: 118 - symbol: O # 119 coordinates: [ 0.859164810000000, 0.250089870000000, 0.267691060000000 ] mass: 15.999400 reduced_to: 119 - symbol: O # 120 coordinates: [ 0.787202710000000, 0.625814320000000, 0.777500850000000 ] mass: 15.999400 reduced_to: 120 - symbol: O # 121 coordinates: [ 0.352498990000000, 0.718408140000000, 0.717855500000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 122 coordinates: [ 0.616866040000000, 0.006776540000000, 0.250960530000000 ] mass: 15.999400 reduced_to: 122 - symbol: O # 123 coordinates: [ 0.212797290000000, 0.125814320000000, 0.722499150000000 ] mass: 15.999400 reduced_to: 123 - symbol: O # 124 coordinates: [ 0.351360970000000, 0.232866770000000, 0.713360700000000 ] mass: 15.999400 reduced_to: 124 - symbol: O # 125 coordinates: [ 0.102145290000000, 0.065916900000000, 0.227377160000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 126 coordinates: [ 0.233925080000000, 0.609978290000000, 0.088763320000000 ] mass: 15.999400 reduced_to: 126 - symbol: O # 127 coordinates: [ 0.813718120000000, 0.118869420000000, 0.785380860000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 128 coordinates: [ 0.233925080000000, 0.890021710000000, 0.588763320000000 ] mass: 15.999400 reduced_to: 128 - symbol: O # 129 coordinates: [ 0.886231410000000, 0.420569910000000, 0.755307840000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 130 coordinates: [ 0.615189930000000, 0.994440850000000, 0.757164090000000 ] mass: 15.999400 reduced_to: 130 - symbol: O # 131 coordinates: [ 0.501584680000000, 0.129849710000000, 0.904158460000000 ] mass: 15.999400 reduced_to: 131 - symbol: O # 132 coordinates: [ 0.700159160000000, 0.924921550000000, 0.442521780000000 ] mass: 15.999400 reduced_to: 132 - symbol: O # 133 coordinates: [ 0.648639030000000, 0.767133230000000, 0.286639300000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 134 coordinates: [ 0.991124770000000, 0.466219780000000, 0.197836750000000 ] mass: 15.999400 reduced_to: 134 - symbol: O # 135 coordinates: [ 0.113768590000000, 0.920569910000000, 0.744692160000000 ] mass: 15.999400 reduced_to: 135 - symbol: O # 136 coordinates: [ 0.860286620000000, 0.755718940000000, 0.768704370000000 ] mass: 15.999400 reduced_to: 136 - symbol: O # 137 coordinates: [ 0.886231410000000, 0.079430090000000, 0.255307840000000 ] mass: 15.999400 reduced_to: 137 - symbol: O # 138 coordinates: [ 0.356343160000000, 0.648492520000000, 0.419706250000000 ] mass: 15.999400 reduced_to: 138 - symbol: O # 139 coordinates: [ 0.498133120000000, 0.124860000000000, 0.245905840000000 ] mass: 15.999400 reduced_to: 139 - symbol: O # 140 coordinates: [ 0.113768590000000, 0.579430090000000, 0.244692160000000 ] mass: 15.999400 reduced_to: 140 - symbol: O # 141 coordinates: [ 0.139713380000000, 0.244281060000000, 0.231295630000000 ] mass: 15.999400 reduced_to: 141 - symbol: O # 142 coordinates: [ 0.010206040000000, 0.575652770000000, 0.000686510000000 ] mass: 15.999400 reduced_to: 142 - symbol: O # 143 coordinates: [ 0.813718120000000, 0.381130580000000, 0.285380860000000 ] mass: 15.999400 reduced_to: 143 - symbol: O # 144 coordinates: [ 0.950149610000000, 0.550663950000000, 0.547829880000000 ] mass: 15.999400 reduced_to: 144 - symbol: O # 145 coordinates: [ 0.501866880000000, 0.624860000000000, 0.254094160000000 ] mass: 15.999400 reduced_to: 145 - symbol: O # 146 coordinates: [ 0.726410370000000, 0.424229050000000, 0.469409060000000 ] mass: 15.999400 reduced_to: 146 - symbol: O # 147 coordinates: [ 0.114714590000000, 0.672745320000000, 0.926255270000000 ] mass: 15.999400 reduced_to: 147 - symbol: O # 148 coordinates: [ 0.384810070000000, 0.005559150000000, 0.242835910000000 ] mass: 15.999400 reduced_to: 148 - symbol: O # 149 coordinates: [ 0.352498990000000, 0.781591860000000, 0.217855500000000 ] mass: 15.999400 reduced_to: 149 - symbol: O # 150 coordinates: [ 0.766074920000000, 0.109978290000000, 0.411236680000000 ] mass: 15.999400 reduced_to: 150 - symbol: O # 151 coordinates: [ 0.885285410000000, 0.172745320000000, 0.573744730000000 ] mass: 15.999400 reduced_to: 151 - symbol: O # 152 coordinates: [ 0.885285410000000, 0.327254680000000, 0.073744730000000 ] mass: 15.999400 reduced_to: 152 - symbol: O # 153 coordinates: [ 0.509339210000000, 0.138639400000000, 0.587608850000000 ] mass: 15.999400 reduced_to: 153 - symbol: O # 154 coordinates: [ 0.897854710000000, 0.934083100000000, 0.772622840000000 ] mass: 15.999400 reduced_to: 154 - symbol: O # 155 coordinates: [ 0.273589630000000, 0.575770950000000, 0.530590940000000 ] mass: 15.999400 reduced_to: 155 - symbol: O # 156 coordinates: [ 0.616866040000000, 0.493223460000000, 0.750960530000000 ] mass: 15.999400 reduced_to: 156 - symbol: O # 157 coordinates: [ 0.140835190000000, 0.750089870000000, 0.232308940000000 ] mass: 15.999400 reduced_to: 157 - symbol: O # 158 coordinates: [ 0.498415320000000, 0.629849710000000, 0.595841540000000 ] mass: 15.999400 reduced_to: 158 - symbol: O # 159 coordinates: [ 0.867802360000000, 0.671569440000000, 0.585443020000000 ] mass: 15.999400 reduced_to: 159 - symbol: O # 160 coordinates: [ 0.383133960000000, 0.506776540000000, 0.249039470000000 ] mass: 15.999400 reduced_to: 160 - symbol: O # 161 coordinates: [ 0.653717550000000, 0.865616970000000, 0.584548840000000 ] mass: 15.999400 reduced_to: 161 - symbol: O # 162 coordinates: [ 0.008875230000000, 0.966219780000000, 0.302163250000000 ] mass: 15.999400 reduced_to: 162 - symbol: O # 163 coordinates: [ 0.648639030000000, 0.732866770000000, 0.786639300000000 ] mass: 15.999400 reduced_to: 163 - symbol: O # 164 coordinates: [ 0.356343160000000, 0.851507480000000, 0.919706250000000 ] mass: 15.999400 reduced_to: 164 - symbol: O # 165 coordinates: [ 0.273589630000000, 0.924229050000000, 0.030590940000000 ] mass: 15.999400 reduced_to: 165 - symbol: O # 166 coordinates: [ 0.114714590000000, 0.827254680000000, 0.426255270000000 ] mass: 15.999400 reduced_to: 166 - symbol: O # 167 coordinates: [ 0.346282450000000, 0.134383030000000, 0.415451160000000 ] mass: 15.999400 reduced_to: 167 - symbol: O # 168 coordinates: [ 0.383133960000000, 0.993223460000000, 0.749039470000000 ] mass: 15.999400 reduced_to: 168 - symbol: O # 169 coordinates: [ 0.351360970000000, 0.267133230000000, 0.213360700000000 ] mass: 15.999400 reduced_to: 169 - symbol: O # 170 coordinates: [ 0.615189930000000, 0.505559150000000, 0.257164090000000 ] mass: 15.999400 reduced_to: 170 - symbol: O # 171 coordinates: [ 0.384810070000000, 0.494440850000000, 0.742835910000000 ] mass: 15.999400 reduced_to: 171 - symbol: O # 172 coordinates: [ 0.049850390000000, 0.449336050000000, 0.452170120000000 ] mass: 15.999400 reduced_to: 172 - symbol: O # 173 coordinates: [ 0.212797290000000, 0.374185680000000, 0.222499150000000 ] mass: 15.999400 reduced_to: 173 - symbol: O # 174 coordinates: [ 0.219598350000000, 0.113596330000000, 0.083592460000000 ] mass: 15.999400 reduced_to: 174 - symbol: O # 175 coordinates: [ 0.897854710000000, 0.565916900000000, 0.272622840000000 ] mass: 15.999400 reduced_to: 175 - symbol: O # 176 coordinates: [ 0.049850390000000, 0.050663950000000, 0.952170120000000 ] mass: 15.999400 reduced_to: 176displacements:- atom: 1 displacement: [ 0.0099999639143206, 0.0000000000000000, -0.0000268647033593 ] forces: - [ -0.0286396400000000, -0.0051889000000000, -0.0089418100000000 ] - [ -0.0000771200000000, 0.0002333400000000, -0.0000524600000000 ] - [ 0.0003091900000000, -0.0000055100000000, -0.0000714700000000 ] - [ 0.0000965600000000, -0.0002995700000000, 0.0003799100000000 ] - [ -0.0000120100000000, -0.0002340700000000, -0.0001275800000000 ] - [ -0.0001196600000000, -0.0000921500000000, -0.0000796900000000 ] - [ -0.0001481800000000, 0.0000032500000000, -0.0001642500000000 ] - [ 0.0003777600000000, -0.0000624700000000, 0.0001268500000000 ] - [ 0.0013365600000000, -0.0021026500000000, 0.0015872100000000 ] - [ 0.0000115900000000, 0.0000499100000000, 0.0000490200000000 ] - [ 0.0019433900000000, 0.0003442900000000, 0.0001075600000000 ] - [ -0.0008740800000000, -0.0003164400000000, 0.0004374900000000 ] - [ 0.0004321200000000, -0.0001668800000000, 0.0000974700000000 ] - [ 0.0003561600000000, 0.0000295600000000, -0.0000921800000000 ] - [ -0.0000215100000000, -0.0000387700000000, 0.0000926900000000 ] - [ 0.0005327900000000, -0.0000203100000000, -0.0001476800000000 ] - [ -0.0001015900000000, -0.0001922000000000, -0.0000387200000000 ] - [ -0.0003942000000000, -0.0001648600000000, -0.0001287700000000 ] - [ -0.0004014700000000, -0.0000347300000000, 0.0001139500000000 ] - [ 0.0004396700000000, 0.0011032900000000, -0.0006425500000000 ] - [ 0.0007264600000000, 0.0015490900000000, -0.0003482100000000 ] - [ -0.0000272000000000, 0.0003484100000000, -0.0001268200000000 ] - [ -0.0003246100000000, 0.0001372700000000, 0.0002062300000000 ] - [ 0.0000728500000000, 0.0000841000000000, -0.0000381300000000 ] - [ 0.0083731400000000, 0.0015647100000000, -0.0084424800000000 ] - [ 0.0070626500000000, -0.0023781700000000, 0.0061478100000000 ] - [ -0.0001942300000000, -0.0009287800000000, 0.0000763200000000 ] - [ -0.0002243200000000, -0.0001298700000000, -0.0004039800000000 ] - [ -0.0002204400000000, 0.0004434100000000, -0.0000499500000000 ] - [ 0.0016808400000000, 0.0004621400000000, -0.0003933200000000 ] - [ 0.0003779800000000, 0.0002328000000000, 0.0005034000000000 ] - [ -0.0003281400000000, 0.0001910800000000, 0.0000749400000000 ] - [ -0.0049294800000000, 0.0014122800000000, 0.0009376700000000 ] - [ -0.0000556900000000, 0.0002488500000000, -0.0005452200000000 ] - [ -0.0003895800000000, -0.0002548200000000, -0.0021733900000000 ] - [ 0.0002650000000000, -0.0001068300000000, 0.0016770700000000 ] - [ 0.0000210000000000, 0.0000972000000000, -0.0001497200000000 ] - [ 0.0011540900000000, -0.0048275000000000, 0.0001305500000000 ] - [ -0.0000036000000000, -0.0001978100000000, -0.0001322700000000 ] - [ 0.0002678100000000, 0.0007836400000000, -0.0006698100000000 ] - [ -0.0047943900000000, 0.0013704600000000, 0.0006481900000000 ] - [ -0.0002443200000000, -0.0000674900000000, 0.0006711500000000 ] - [ 0.0000311900000000, -0.0001511200000000, -0.0000226900000000 ] - [ -0.0001874900000000, 0.0000474700000000, -0.0000559600000000 ] - [ -0.0002185100000000, 0.0006212800000000, -0.0002838600000000 ] - [ 0.0001849900000000, 0.0005415600000000, -0.0003101300000000 ] - [ 0.0004211400000000, 0.0001728900000000, 0.0003065800000000 ] - [ -0.0000808700000000, -0.0001573600000000, 0.0004566100000000 ] - [ -0.0015643400000000, -0.0002457900000000, 0.0001218300000000 ] - [ 0.0015116400000000, 0.0003958300000000, 0.0001641300000000 ] - [ 0.0004599400000000, 0.0000538900000000, -0.0002161000000000 ] - [ 0.0001553500000000, -0.0000744700000000, 0.0002714300000000 ] - [ 0.0000473800000000, 0.0004562600000000, -0.0000324300000000 ] - [ -0.0068870000000000, 0.0004500500000000, 0.0011161900000000 ] - [ 0.0001827100000000, -0.0002236900000000, 0.0000257600000000 ] - [ -0.0002506200000000, -0.0006440400000000, -0.0009972100000000 ] - [ -0.0000157600000000, 0.0003509300000000, -0.0001043800000000 ] - [ 0.0000828700000000, -0.0006300200000000, -0.0002494600000000 ] - [ 0.0001861700000000, 0.0002410100000000, -0.0000741900000000 ] - [ 0.0033615900000000, 0.0031208000000000, 0.0007440200000000 ] - [ 0.0005191000000000, -0.0001983900000000, -0.0002090100000000 ] - [ 0.0003266900000000, 0.0001574600000000, 0.0003202300000000 ] - [ 0.0005423900000000, 0.0003164300000000, 0.0000597000000000 ] - [ -0.0002098000000000, -0.0002731400000000, 0.0000827000000000 ] - [ -0.0001035400000000, -0.0002639200000000, 0.0008847900000000 ] - [ 0.0000521000000000, 0.0000909300000000, 0.0000625400000000 ] - [ -0.0001323100000000, 0.0001279800000000, 0.0000567300000000 ] - [ -0.0003383200000000, 0.0003662000000000, -0.0005093400000000 ] - [ -0.0002490600000000, 0.0004656900000000, 0.0002718500000000 ] - [ 0.0032980600000000, -0.0021319500000000, -0.0045276300000000 ] - [ -0.0001996900000000, -0.0000274100000000, 0.0004103200000000 ] - [ 0.0002773000000000, -0.0001094000000000, 0.0000447200000000 ] - [ -0.0001409000000000, -0.0003466100000000, 0.0001667700000000 ] - [ 0.0005501700000000, -0.0003486600000000, 0.0003776900000000 ] - [ 0.0061763700000000, 0.0039970200000000, 0.0073099500000000 ] - [ -0.0005223600000000, -0.0003145400000000, -0.0002342800000000 ] - [ 0.0002098700000000, 0.0001108200000000, 0.0000475000000000 ] - [ 0.0000604500000000, -0.0000820400000000, -0.0000996800000000 ] - [ 0.0000488300000000, -0.0003862400000000, 0.0000909400000000 ] - [ 0.0014366600000000, -0.0019775000000000, -0.0005460800000000 ] - [ 0.0001038800000000, 0.0004719700000000, -0.0000009000000000 ] - [ -0.0000719300000000, -0.0000048100000000, 0.0004241000000000 ] - [ 0.0005089100000000, 0.0021327600000000, 0.0021368800000000 ] - [ -0.0000630500000000, 0.0005170500000000, -0.0001368700000000 ] - [ 0.0003696900000000, 0.0014898600000000, 0.0004152000000000 ] - [ -0.0014656300000000, -0.0002429100000000, -0.0029451200000000 ] - [ -0.0006433300000000, 0.0007049700000000, 0.0001506200000000 ] - [ 0.0000340600000000, 0.0000221300000000, 0.0002305800000000 ] - [ -0.0004213200000000, 0.0000726300000000, 0.0003900600000000 ] - [ 0.0002153300000000, -0.0004198600000000, 0.0000278000000000 ] - [ 0.0000925900000000, -0.0000106900000000, 0.0001726200000000 ] - [ -0.0000952000000000, 0.0004563700000000, 0.0001671200000000 ] - [ -0.0003326500000000, 0.0002402700000000, -0.0003455900000000 ] - [ 0.0002632300000000, -0.0000708700000000, 0.0001549100000000 ] - [ 0.0001318100000000, -0.0007795400000000, 0.0001746900000000 ] - [ 0.0000125700000000, -0.0005949600000000, -0.0001917800000000 ] - [ 0.0009367700000000, 0.0022211800000000, 0.0018062500000000 ] - [ 0.0015362500000000, -0.0008024800000000, -0.0004093200000000 ] - [ -0.0001993400000000, 0.0000206000000000, 0.0001405500000000 ] - [ -0.0000554200000000, 0.0004180600000000, -0.0000826300000000 ] - [ -0.0003855700000000, 0.0001124200000000, -0.0004581900000000 ] - [ -0.0002965200000000, 0.0000535300000000, -0.0002885700000000 ] - [ -0.0028399700000000, 0.0021693800000000, 0.0010849400000000 ] - [ -0.0026741500000000, -0.0007582600000000, 0.0003203100000000 ] - [ -0.0002204000000000, -0.0005836700000000, 0.0001138200000000 ] - [ -0.0007088500000000, 0.0000576200000000, 0.0002670300000000 ] - [ -0.0002622200000000, 0.0000291500000000, -0.0001545200000000 ] - [ 0.0002230500000000, 0.0002471900000000, -0.0004120800000000 ] - [ 0.0001468500000000, -0.0000258200000000, -0.0000975700000000 ] - [ -0.0001643300000000, 0.0002657500000000, 0.0003089200000000 ] - [ 0.0000197800000000, -0.0002435900000000, 0.0003469100000000 ] - [ 0.0004147400000000, -0.0001546900000000, 0.0002010000000000 ] - [ -0.0011960200000000, 0.0003336700000000, 0.0021309800000000 ] - [ 0.0009232100000000, 0.0001206000000000, 0.0003510700000000 ] - [ -0.0009603400000000, 0.0001548500000000, 0.0004724300000000 ] - [ -0.0000893200000000, -0.0001228300000000, -0.0000132100000000 ] - [ 0.0003339100000000, -0.0000329400000000, 0.0001876800000000 ] - [ -0.0002529800000000, 0.0000901700000000, 0.0003023500000000 ] - [ -0.0001599600000000, -0.0004001600000000, -0.0001039200000000 ] - [ -0.0000860600000000, -0.0022787200000000, 0.0002234200000000 ] - [ -0.0014796100000000, 0.0013286100000000, 0.0002678200000000 ] - [ -0.0004047600000000, -0.0002951100000000, -0.0000006900000000 ] - [ -0.0001220900000000, -0.0003347400000000, -0.0000868400000000 ] - [ 0.0000405400000000, 0.0001109100000000, 0.0000439200000000 ] - [ 0.0001709200000000, -0.0004194100000000, -0.0000874200000000 ] - [ 0.0002860600000000, 0.0002474400000000, 0.0000211000000000 ] - [ 0.0000569000000000, 0.0005362700000000, -0.0006251500000000 ] - [ -0.0001325500000000, -0.0003677300000000, 0.0011680500000000 ] - [ 0.0005240700000000, 0.0000067500000000, 0.0000295000000000 ] - [ -0.0007753500000000, 0.0005275200000000, -0.0005292200000000 ] - [ -0.0007467900000000, -0.0001066600000000, -0.0002695800000000 ] - [ 0.0000236600000000, 0.0000775500000000, -0.0003602200000000 ] - [ -0.0005284500000000, -0.0000433300000000, -0.0003197000000000 ] - [ 0.0000842000000000, 0.0005560000000000, -0.0001505400000000 ] - [ 0.0036343500000000, -0.0008366200000000, 0.0002406900000000 ] - [ 0.0025448300000000, 0.0007639800000000, 0.0012012600000000 ] - [ 0.0004260100000000, 0.0000040100000000, 0.0001306000000000 ] - [ 0.0001715900000000, -0.0000207600000000, -0.0003076900000000 ] - [ 0.0000282200000000, 0.0003448300000000, -0.0001849400000000 ] - [ -0.0003550600000000, -0.0001020800000000, 0.0000074200000000 ] - [ -0.0000814200000000, -0.0005906400000000, 0.0001882100000000 ] - [ 0.0002382400000000, -0.0000195100000000, -0.0000834500000000 ] - [ -0.0000449500000000, 0.0000455600000000, -0.0003303400000000 ] - [ -0.0001047800000000, -0.0000095100000000, 0.0002740800000000 ] - [ -0.0001322500000000, 0.0007515700000000, 0.0000250800000000 ] - [ 0.0002517700000000, 0.0000295900000000, -0.0001658000000000 ] - [ 0.0020521100000000, -0.0011642900000000, 0.0006199600000000 ] - [ -0.0004739900000000, -0.0006344700000000, -0.0003133300000000 ] - [ 0.0005132000000000, -0.0002853200000000, -0.0008537500000000 ] - [ 0.0001335000000000, -0.0000932900000000, 0.0001185400000000 ] - [ 0.0001760300000000, -0.0001044300000000, -0.0002702500000000 ] - [ 0.0001077600000000, 0.0000481700000000, -0.0001449000000000 ] - [ 0.0000851000000000, -0.0002512500000000, -0.0005021100000000 ] - [ 0.0041262600000000, 0.0008282200000000, -0.0000306000000000 ] - [ -0.0004256100000000, -0.0000390400000000, 0.0001787000000000 ] - [ -0.0003553500000000, -0.0000273700000000, 0.0001344400000000 ] - [ 0.0008693700000000, -0.0003123800000000, 0.0005156100000000 ] - [ -0.0000533100000000, -0.0000699300000000, -0.0001054900000000 ] - [ 0.0006481200000000, -0.0004671400000000, -0.0006591000000000 ] - [ 0.0001845600000000, -0.0000498000000000, -0.0001636400000000 ] - [ -0.0000469200000000, 0.0003294500000000, -0.0021458000000000 ] - [ -0.0000688500000000, 0.0008279400000000, 0.0004398100000000 ] - [ -0.0022757500000000, -0.0007646600000000, -0.0002399200000000 ] - [ 0.0009359300000000, -0.0006494800000000, 0.0000199100000000 ] - [ 0.0047243500000000, -0.0001674300000000, -0.0000566600000000 ] - [ -0.0000708500000000, 0.0002259300000000, 0.0009276100000000 ] - [ -0.0000754900000000, -0.0000363600000000, 0.0003725800000000 ] - [ -0.0009561600000000, -0.0001852000000000, 0.0001732700000000 ] - [ 0.0001219100000000, -0.0002243700000000, 0.0000513100000000 ] - [ 0.0004160000000000, -0.0002335800000000, -0.0000853000000000 ] - [ -0.0006993600000000, 0.0003273900000000, 0.0000485400000000 ] - [ 0.0003105000000000, -0.0000804300000000, -0.0001900400000000 ] - [ -0.0001362600000000, 0.0000291000000000, -0.0001565300000000 ] - [ -0.0000070500000000, -0.0002007100000000, -0.0001077800000000 ] - [ 0.0001523400000000, -0.0004661600000000, 0.0000668400000000 ] - [ 0.0015579600000000, 0.0004544700000000, 0.0001744300000000 ]- atom: 1 displacement: [ -0.0099999639143206, 0.0000000000000000, 0.0000268647033593 ] forces: - [ 0.0284774700000000, 0.0047877300000000, 0.0093000000000000 ] - [ -0.0000504600000000, 0.0002063500000000, -0.0000031600000000 ] - [ 0.0003073400000000, -0.0000041700000000, -0.0000742700000000 ] - [ -0.0000042600000000, -0.0003657400000000, -0.0001001800000000 ] - [ -0.0000807900000000, -0.0004297100000000, -0.0001521200000000 ] - [ -0.0000707700000000, -0.0001213300000000, -0.0001045700000000 ] - [ -0.0000416000000000, 0.0002110700000000, -0.0000201100000000 ] - [ 0.0004869100000000, 0.0003994800000000, 0.0000912200000000 ] - [ -0.0012800100000000, 0.0019827500000000, -0.0016876500000000 ] - [ -0.0000703600000000, 0.0000547500000000, 0.0000645000000000 ] - [ -0.0018531500000000, 0.0003182400000000, 0.0001728900000000 ] - [ 0.0010041700000000, -0.0001234100000000, -0.0003733700000000 ] - [ 0.0004354700000000, -0.0001693500000000, 0.0001197500000000 ] - [ -0.0002976900000000, 0.0000734000000000, -0.0000230400000000 ] - [ -0.0000370800000000, -0.0000650900000000, 0.0000210500000000 ] - [ -0.0011509100000000, 0.0000130200000000, 0.0002946900000000 ] - [ -0.0000261100000000, -0.0002468200000000, -0.0000171000000000 ] - [ -0.0004735800000000, -0.0001718200000000, -0.0000890100000000 ] - [ -0.0004648300000000, 0.0003709000000000, -0.0003315100000000 ] - [ -0.0003083200000000, -0.0006691800000000, 0.0007013900000000 ] - [ -0.0001112100000000, -0.0015325400000000, 0.0002019700000000 ] - [ -0.0000650000000000, 0.0003162900000000, -0.0001527500000000 ] - [ -0.0002917500000000, -0.0001274100000000, -0.0000606800000000 ] - [ 0.0001177200000000, 0.0001292500000000, 0.0002226100000000 ] - [ -0.0077859600000000, -0.0018689500000000, 0.0092667600000000 ] - [ -0.0070410700000000, 0.0019207800000000, -0.0059306500000000 ] - [ -0.0001790800000000, -0.0000959000000000, 0.0005893200000000 ] - [ -0.0002992900000000, -0.0001889900000000, -0.0005150900000000 ] - [ 0.0001509500000000, 0.0000312900000000, -0.0002385600000000 ] - [ -0.0014953200000000, -0.0001538000000000, -0.0004810000000000 ] - [ -0.0005647200000000, 0.0000848500000000, 0.0003663800000000 ] - [ 0.0004454400000000, 0.0001822700000000, 0.0000120500000000 ] - [ 0.0045588800000000, -0.0004053100000000, -0.0002882400000000 ] - [ -0.0004692900000000, 0.0000726100000000, -0.0003727000000000 ] - [ 0.0002811500000000, -0.0001209400000000, 0.0020942300000000 ] - [ -0.0000846900000000, -0.0002079100000000, -0.0025419800000000 ] - [ 0.0003765900000000, 0.0000921900000000, 0.0000602000000000 ] - [ -0.0007747100000000, 0.0038254200000000, -0.0008009800000000 ] - [ -0.0000672900000000, -0.0002749100000000, -0.0001551800000000 ] - [ 0.0001231200000000, -0.0009685600000000, 0.0005863200000000 ] - [ 0.0046881100000000, -0.0009631800000000, -0.0007011200000000 ] - [ 0.0007664700000000, 0.0003878100000000, 0.0002427000000000 ] - [ 0.0000859400000000, -0.0002222300000000, 0.0001096500000000 ] - [ -0.0002104500000000, 0.0001378900000000, 0.0001446600000000 ] - [ -0.0001720400000000, -0.0008040900000000, 0.0003729800000000 ] - [ 0.0001871700000000, 0.0004836700000000, -0.0003526700000000 ] - [ -0.0003523700000000, 0.0002975300000000, -0.0000151800000000 ] - [ -0.0001059400000000, -0.0001552100000000, 0.0004136100000000 ] - [ 0.0012467700000000, -0.0002299800000000, -0.0001834500000000 ] - [ -0.0014416400000000, 0.0000063400000000, 0.0000036200000000 ] - [ -0.0000098200000000, 0.0000156300000000, -0.0004793700000000 ] - [ 0.0001376500000000, -0.0000585900000000, 0.0002712900000000 ] - [ 0.0003721100000000, 0.0002088500000000, -0.0002052000000000 ] - [ 0.0064680500000000, 0.0001827400000000, -0.0008522800000000 ] - [ 0.0001334800000000, -0.0002517100000000, 0.0000281100000000 ] - [ 0.0005475800000000, -0.0001364400000000, 0.0005403000000000 ] - [ 0.0000485800000000, 0.0002615500000000, -0.0001120400000000 ] - [ 0.0003380400000000, -0.0000308700000000, 0.0000105400000000 ] - [ -0.0002581800000000, 0.0001544700000000, -0.0000942100000000 ] - [ -0.0033872100000000, -0.0037442700000000, -0.0005505700000000 ] - [ -0.0008112100000000, 0.0003302000000000, -0.0003333400000000 ] - [ -0.0000328100000000, -0.0000240700000000, 0.0002227100000000 ] - [ -0.0005761700000000, 0.0002935600000000, 0.0001577300000000 ] - [ -0.0002083700000000, -0.0003888400000000, 0.0001559700000000 ] - [ -0.0001893200000000, 0.0001320500000000, -0.0014318100000000 ] - [ 0.0002006400000000, -0.0003485700000000, -0.0002021700000000 ] - [ -0.0001213400000000, 0.0001326200000000, 0.0000865100000000 ] - [ 0.0006473700000000, 0.0004385900000000, 0.0000307500000000 ] - [ -0.0000514000000000, 0.0003149600000000, 0.0001847600000000 ] - [ -0.0030862800000000, 0.0024351800000000, 0.0044461100000000 ] - [ -0.0002494800000000, -0.0000414000000000, 0.0002844700000000 ] - [ 0.0000390300000000, 0.0005869700000000, 0.0000092100000000 ] - [ -0.0001580500000000, -0.0004320200000000, 0.0002875700000000 ] - [ -0.0010019400000000, 0.0004187500000000, 0.0003160700000000 ] - [ -0.0056458500000000, -0.0039892700000000, -0.0079275400000000 ] - [ 0.0002666900000000, 0.0000541200000000, 0.0003746700000000 ] - [ -0.0002827400000000, -0.0005055900000000, -0.0002162500000000 ] - [ -0.0000282800000000, -0.0005290400000000, -0.0001165900000000 ] - [ 0.0000213800000000, -0.0000104800000000, 0.0000771700000000 ] - [ -0.0017653800000000, 0.0024538200000000, 0.0004839300000000 ] - [ 0.0003708100000000, 0.0003290300000000, 0.0000663300000000 ] - [ -0.0000590700000000, -0.0000145900000000, 0.0004085500000000 ] - [ -0.0010845600000000, -0.0023190400000000, -0.0016740600000000 ] - [ -0.0002099000000000, 0.0002583800000000, -0.0001058800000000 ] - [ -0.0002970800000000, -0.0016120700000000, 0.0002475900000000 ] - [ 0.0019483200000000, 0.0003049800000000, 0.0031508400000000 ] - [ 0.0011320700000000, -0.0008138400000000, -0.0004034400000000 ] - [ -0.0005933500000000, 0.0000643200000000, -0.0004389100000000 ] - [ 0.0000308600000000, -0.0001431800000000, 0.0000216800000000 ] - [ 0.0002598600000000, -0.0003827500000000, 0.0000375000000000 ] - [ 0.0001358400000000, 0.0001481300000000, 0.0001075100000000 ] - [ -0.0001816700000000, 0.0006291100000000, 0.0001806700000000 ] - [ -0.0001485000000000, 0.0002708000000000, 0.0011818300000000 ] - [ 0.0003069100000000, 0.0000437600000000, 0.0004155800000000 ] - [ -0.0002841500000000, -0.0004054300000000, 0.0001614700000000 ] - [ 0.0002066700000000, -0.0005299600000000, -0.0001760400000000 ] - [ -0.0006216000000000, -0.0014600200000000, -0.0015893800000000 ] - [ -0.0013843200000000, -0.0003704800000000, 0.0000690900000000 ] - [ -0.0001918300000000, 0.0000474200000000, 0.0002720800000000 ] - [ -0.0003310800000000, 0.0004469400000000, 0.0000229200000000 ] - [ 0.0005161900000000, -0.0000915600000000, -0.0003760400000000 ] - [ -0.0002743800000000, -0.0000261200000000, -0.0002846100000000 ] - [ 0.0034147400000000, -0.0021575600000000, -0.0005170700000000 ] - [ 0.0024541200000000, -0.0003731400000000, 0.0000487400000000 ] - [ 0.0004947000000000, -0.0004985100000000, -0.0004630900000000 ] - [ 0.0004665700000000, 0.0000362000000000, -0.0000717600000000 ] - [ -0.0002215500000000, 0.0000418200000000, -0.0000596900000000 ] - [ 0.0002596300000000, 0.0002624400000000, -0.0004230100000000 ] - [ 0.0000918100000000, -0.0000658100000000, -0.0000964900000000 ] - [ -0.0001681100000000, 0.0002764500000000, 0.0002769500000000 ] - [ -0.0003521500000000, -0.0003007400000000, 0.0002401800000000 ] - [ 0.0001515700000000, 0.0000649300000000, 0.0000054100000000 ] - [ 0.0015328400000000, 0.0002075600000000, -0.0027385100000000 ] - [ -0.0008571600000000, 0.0000046800000000, 0.0003172200000000 ] - [ 0.0004785200000000, -0.0006615400000000, 0.0003647400000000 ] - [ 0.0003272900000000, 0.0002122800000000, -0.0001804400000000 ] - [ 0.0002305700000000, 0.0001209100000000, 0.0000188000000000 ] - [ 0.0005784600000000, 0.0000474700000000, 0.0000279900000000 ] - [ -0.0001126700000000, -0.0003767900000000, -0.0001392800000000 ] - [ 0.0004065300000000, 0.0021406000000000, 0.0001110000000000 ] - [ 0.0010133300000000, -0.0005213200000000, -0.0003284800000000 ] - [ 0.0001301300000000, 0.0000539500000000, 0.0003312600000000 ] - [ -0.0002027900000000, 0.0001943300000000, -0.0002450400000000 ] - [ 0.0001787700000000, 0.0002197400000000, 0.0000733500000000 ] - [ -0.0005582500000000, -0.0004471900000000, 0.0000275800000000 ] - [ -0.0005141400000000, -0.0003903900000000, -0.0002925100000000 ] - [ -0.0001276900000000, -0.0006588500000000, -0.0000365700000000 ] - [ -0.0000956200000000, 0.0005019600000000, -0.0014441800000000 ] - [ 0.0004175700000000, 0.0001345700000000, 0.0000930300000000 ] - [ 0.0017400300000000, 0.0000543400000000, 0.0003995800000000 ] - [ 0.0002623100000000, 0.0000337400000000, 0.0000544200000000 ] - [ -0.0002613100000000, -0.0001680100000000, 0.0005539000000000 ] - [ 0.0003135300000000, -0.0002863000000000, 0.0002014200000000 ] - [ 0.0000667700000000, 0.0006206200000000, -0.0001878700000000 ] - [ -0.0045396700000000, 0.0010078800000000, -0.0004027900000000 ] - [ -0.0023822900000000, 0.0002300000000000, -0.0016785200000000 ] - [ 0.0005171500000000, -0.0001481700000000, -0.0000080400000000 ] - [ 0.0002205500000000, -0.0000463200000000, -0.0001056400000000 ] - [ 0.0001912800000000, 0.0007824300000000, -0.0001828000000000 ] - [ -0.0005854500000000, -0.0000384800000000, -0.0001289500000000 ] - [ -0.0001951900000000, -0.0004963000000000, 0.0001601000000000 ] - [ -0.0008137200000000, -0.0000779700000000, -0.0001200500000000 ] - [ -0.0000239400000000, 0.0000765400000000, -0.0003333500000000 ] - [ -0.0004484300000000, 0.0001813100000000, 0.0001984500000000 ] - [ -0.0000846800000000, 0.0003731800000000, 0.0003425500000000 ] - [ 0.0002347800000000, 0.0000751400000000, -0.0000859900000000 ] - [ -0.0022927000000000, 0.0010241900000000, -0.0001972200000000 ] - [ -0.0004900900000000, 0.0000472100000000, 0.0004455000000000 ] - [ -0.0009832000000000, -0.0005159300000000, 0.0007910600000000 ] - [ 0.0000953200000000, -0.0000448400000000, 0.0001612500000000 ] - [ 0.0000559300000000, -0.0000285100000000, -0.0001545000000000 ] - [ 0.0001240600000000, 0.0000841500000000, -0.0002788900000000 ] - [ 0.0003977500000000, -0.0002590500000000, -0.0003323000000000 ] - [ -0.0037781300000000, 0.0000860600000000, 0.0000407100000000 ] - [ -0.0000611500000000, -0.0000663800000000, 0.0000737900000000 ] - [ 0.0000779800000000, 0.0002670200000000, 0.0001969800000000 ] - [ -0.0006016100000000, -0.0004634300000000, -0.0002697300000000 ] - [ 0.0005410500000000, 0.0000006200000000, 0.0003249700000000 ] - [ -0.0003170400000000, -0.0000747900000000, 0.0000700800000000 ] - [ 0.0000935600000000, -0.0001897700000000, -0.0001667000000000 ] - [ 0.0001758800000000, -0.0003492600000000, 0.0013201700000000 ] - [ -0.0000825600000000, 0.0003495900000000, -0.0001021400000000 ] - [ 0.0020552100000000, 0.0011047800000000, 0.0001311000000000 ] - [ -0.0002412500000000, 0.0007723500000000, -0.0004020500000000 ] - [ -0.0051307900000000, 0.0003207000000000, 0.0003620500000000 ] - [ -0.0001630100000000, -0.0000887100000000, -0.0005010000000000 ] - [ -0.0000560000000000, 0.0000552600000000, 0.0004591200000000 ] - [ 0.0012339400000000, 0.0004198200000000, -0.0005025100000000 ] - [ 0.0000960400000000, -0.0001085700000000, 0.0000658500000000 ] - [ 0.0005482500000000, -0.0003527500000000, -0.0000467400000000 ] - [ -0.0002624600000000, 0.0002589500000000, 0.0000834800000000 ] - [ 0.0002423600000000, -0.0000917800000000, -0.0002831000000000 ] - [ -0.0001888300000000, 0.0001078000000000, -0.0001751800000000 ] - [ -0.0005638500000000, 0.0001732200000000, -0.0004657000000000 ] - [ 0.0002333300000000, -0.0003990100000000, -0.0000076900000000 ] - [ -0.0010074200000000, -0.0002766700000000, -0.0006452000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0049314300000000, -0.0329931900000000, -0.0036545900000000 ] - [ -0.0000533800000000, 0.0005301000000000, -0.0000685500000000 ] - [ 0.0002910900000000, 0.0002020300000000, -0.0001008500000000 ] - [ 0.0001046600000000, -0.0006710000000000, 0.0003019400000000 ] - [ 0.0000794600000000, 0.0001413600000000, -0.0000382200000000 ] - [ -0.0001091800000000, 0.0003273800000000, -0.0000902900000000 ] - [ -0.0001984200000000, 0.0006055300000000, 0.0000818000000000 ] - [ -0.0000639600000000, 0.0009549700000000, 0.0001925100000000 ] - [ -0.0021632700000000, -0.0002414500000000, -0.0015320000000000 ] - [ 0.0000040700000000, 0.0004853000000000, 0.0000730600000000 ] - [ 0.0001162800000000, -0.0004899800000000, -0.0000052400000000 ] - [ -0.0000392900000000, -0.0017194000000000, 0.0002259800000000 ] - [ 0.0004581300000000, -0.0003342300000000, 0.0001825400000000 ] - [ 0.0000469900000000, -0.0004661300000000, 0.0000486600000000 ] - [ -0.0000494900000000, 0.0002609300000000, 0.0000247400000000 ] - [ -0.0004292200000000, -0.0001104600000000, 0.0003044100000000 ] - [ -0.0001157400000000, 0.0004067300000000, 0.0000246000000000 ] - [ -0.0003819600000000, 0.0000912400000000, -0.0001985900000000 ] - [ -0.0006886600000000, 0.0003235300000000, -0.0004971700000000 ] - [ 0.0010508800000000, 0.0001421400000000, -0.0009038300000000 ] - [ 0.0017302300000000, 0.0014878900000000, -0.0002436600000000 ] - [ -0.0000588200000000, 0.0006598500000000, -0.0001621600000000 ] - [ -0.0002454000000000, 0.0002816900000000, 0.0002964700000000 ] - [ 0.0001173600000000, -0.0001484000000000, 0.0001747700000000 ] - [ 0.0018369800000000, -0.0057492300000000, -0.0011304400000000 ] - [ -0.0011374100000000, -0.0055729300000000, -0.0008578900000000 ] - [ -0.0004745700000000, 0.0005190100000000, 0.0009839400000000 ] - [ -0.0002156900000000, 0.0012608000000000, -0.0003439000000000 ] - [ -0.0000199700000000, 0.0012552400000000, 0.0005442800000000 ] - [ 0.0003648100000000, 0.0005033100000000, -0.0000705200000000 ] - [ -0.0000092900000000, 0.0009160100000000, 0.0001282100000000 ] - [ 0.0000330500000000, 0.0020863400000000, -0.0004774900000000 ] - [ -0.0007869900000000, 0.0037899200000000, 0.0065773700000000 ] - [ -0.0001906300000000, 0.0009111300000000, -0.0002301000000000 ] - [ -0.0000825500000000, -0.0017559100000000, 0.0002561500000000 ] - [ 0.0001486400000000, -0.0014714100000000, 0.0005043600000000 ] - [ 0.0001810900000000, 0.0021026900000000, -0.0009831100000000 ] - [ -0.0040044200000000, 0.0026148000000000, -0.0006126100000000 ] - [ -0.0000459100000000, 0.0011048400000000, -0.0000700400000000 ] - [ 0.0014738400000000, 0.0007007500000000, -0.0016375000000000 ] - [ 0.0006921400000000, 0.0082412300000000, 0.0087997700000000 ] - [ 0.0002689200000000, -0.0004677700000000, -0.0012220100000000 ] - [ 0.0000890200000000, 0.0007920400000000, -0.0001088600000000 ] - [ -0.0003737700000000, -0.0003067300000000, -0.0000882500000000 ] - [ 0.0009136500000000, 0.0017851800000000, 0.0004440600000000 ] - [ 0.0002435200000000, 0.0011827900000000, -0.0001788700000000 ] - [ -0.0000987200000000, -0.0004078000000000, -0.0001929900000000 ] - [ -0.0001627000000000, 0.0008071300000000, 0.0002920200000000 ] - [ 0.0001383100000000, -0.0025544200000000, -0.0001572000000000 ] - [ 0.0000858900000000, -0.0007359000000000, 0.0000520500000000 ] - [ 0.0002796500000000, -0.0000103300000000, -0.0001052900000000 ] - [ -0.0003292800000000, 0.0003543800000000, 0.0004235400000000 ] - [ 0.0000708400000000, 0.0019090400000000, 0.0005157500000000 ] - [ -0.0002333900000000, 0.0059136200000000, -0.0058582700000000 ] - [ 0.0002226100000000, 0.0004242600000000, 0.0000612500000000 ] - [ 0.0003857000000000, -0.0011257800000000, -0.0007389000000000 ] - [ -0.0000299000000000, 0.0012093100000000, -0.0000903900000000 ] - [ -0.0002383800000000, -0.0004955100000000, 0.0002394500000000 ] - [ 0.0000320700000000, 0.0009609200000000, -0.0000777700000000 ] - [ 0.0031569100000000, 0.0009844700000000, 0.0006671500000000 ] - [ -0.0001152400000000, -0.0000519000000000, -0.0007685300000000 ] - [ 0.0003140400000000, 0.0002267800000000, 0.0001144100000000 ] - [ -0.0000075800000000, -0.0006010000000000, 0.0001666200000000 ] - [ 0.0001227700000000, -0.0000089100000000, 0.0000645600000000 ] - [ -0.0004140500000000, -0.0002868600000000, -0.0002297300000000 ] - [ 0.0000213100000000, 0.0004563300000000, 0.0006587800000000 ] - [ -0.0003162600000000, 0.0006255200000000, 0.0002363400000000 ] - [ 0.0015126700000000, 0.0063948500000000, -0.0049697600000000 ] - [ -0.0003604000000000, 0.0006067400000000, 0.0000714300000000 ] - [ -0.0027712900000000, -0.0032837700000000, 0.0013035800000000 ] - [ 0.0000185000000000, 0.0002218600000000, 0.0002613600000000 ] - [ -0.0001117500000000, 0.0013830800000000, -0.0000713100000000 ] - [ 0.0003858000000000, 0.0003006100000000, -0.0001085500000000 ] - [ -0.0007119800000000, 0.0005129200000000, 0.0007244100000000 ] - [ 0.0056830200000000, -0.0024428500000000, 0.0006247400000000 ] - [ 0.0012920800000000, 0.0018475400000000, 0.0005198200000000 ] - [ 0.0004009600000000, 0.0001401600000000, -0.0000085000000000 ] - [ 0.0001386900000000, 0.0006608900000000, -0.0001391600000000 ] - [ -0.0002117900000000, 0.0000397900000000, -0.0000114900000000 ] - [ -0.0024044000000000, 0.0011785600000000, 0.0004556700000000 ] - [ 0.0003828000000000, -0.0003504700000000, 0.0000728800000000 ] - [ 0.0000125000000000, -0.0004926200000000, 0.0002586500000000 ] - [ 0.0025228500000000, 0.0003323100000000, -0.0011190200000000 ] - [ 0.0000472900000000, -0.0006513500000000, -0.0000531700000000 ] - [ 0.0010072300000000, -0.0008073300000000, -0.0004198000000000 ] - [ -0.0012064900000000, 0.0011057700000000, -0.0010547400000000 ] - [ 0.0011691700000000, -0.0007414200000000, -0.0005075100000000 ] - [ -0.0004103900000000, 0.0005321000000000, 0.0003421600000000 ] - [ -0.0000679600000000, -0.0004389700000000, -0.0002516200000000 ] - [ 0.0002488200000000, -0.0009227200000000, 0.0000320400000000 ] - [ -0.0001130800000000, -0.0005878300000000, 0.0001178300000000 ] - [ -0.0002935800000000, -0.0003740500000000, 0.0001983600000000 ] - [ -0.0000883900000000, 0.0006493600000000, 0.0004090700000000 ] - [ 0.0002265300000000, -0.0001233500000000, -0.0002527200000000 ] - [ -0.0002164600000000, -0.0026511100000000, -0.0003138200000000 ] - [ 0.0000955600000000, -0.0012315900000000, -0.0001986500000000 ] - [ 0.0024259600000000, 0.0020889400000000, -0.0017954800000000 ] - [ -0.0002139300000000, -0.0027556900000000, 0.0007915400000000 ] - [ -0.0002516700000000, -0.0003232900000000, 0.0002611700000000 ] - [ 0.0002784300000000, -0.0003465200000000, -0.0002557500000000 ] - [ 0.0001081500000000, 0.0001440100000000, 0.0001090600000000 ] - [ -0.0001937200000000, -0.0004563900000000, -0.0003444900000000 ] - [ 0.0017383900000000, 0.0015775100000000, 0.0005045000000000 ] - [ -0.0002019000000000, 0.0001751300000000, 0.0003456600000000 ] - [ 0.0001150400000000, 0.0002545500000000, -0.0000945000000000 ] - [ -0.0004465300000000, -0.0001479000000000, 0.0002597600000000 ] - [ -0.0002938600000000, -0.0002427100000000, -0.0001065400000000 ] - [ 0.0004206400000000, -0.0001380700000000, -0.0003448200000000 ] - [ 0.0005859700000000, -0.0007368500000000, -0.0001102900000000 ] - [ -0.0000999600000000, -0.0001943800000000, 0.0001524000000000 ] - [ -0.0005911200000000, -0.0015290900000000, 0.0007213100000000 ] - [ 0.0004445700000000, -0.0002752100000000, 0.0004539800000000 ] - [ 0.0002194200000000, 0.0025780800000000, -0.0009346200000000 ] - [ 0.0000206100000000, 0.0019515600000000, -0.0007356900000000 ] - [ 0.0001509700000000, -0.0001446900000000, 0.0005235600000000 ] - [ -0.0002449000000000, -0.0002029900000000, 0.0001154700000000 ] - [ -0.0000643600000000, -0.0009186800000000, 0.0001074200000000 ] - [ 0.0002070100000000, 0.0008326500000000, 0.0001114000000000 ] - [ -0.0001981700000000, -0.0010259100000000, -0.0001577300000000 ] - [ -0.0009758200000000, -0.0008204500000000, -0.0001403500000000 ] - [ 0.0011561500000000, 0.0012393000000000, -0.0000237300000000 ] - [ -0.0003109000000000, -0.0000388600000000, 0.0000124300000000 ] - [ -0.0004713800000000, -0.0009829500000000, -0.0000086000000000 ] - [ 0.0000317000000000, -0.0006061900000000, 0.0000770000000000 ] - [ 0.0001688600000000, -0.0007693600000000, -0.0006739100000000 ] - [ 0.0003979900000000, -0.0016320600000000, 0.0029916200000000 ] - [ 0.0002893900000000, -0.0012778200000000, 0.0000533300000000 ] - [ -0.0004710600000000, 0.0007598800000000, 0.0003879800000000 ] - [ -0.0000184800000000, -0.0009599900000000, -0.0001781600000000 ] - [ 0.0010043700000000, 0.0006179100000000, 0.0002351700000000 ] - [ -0.0003155900000000, -0.0004774500000000, -0.0000332500000000 ] - [ 0.0001096000000000, 0.0003058800000000, 0.0000980100000000 ] - [ -0.0001335200000000, 0.0006243300000000, -0.0000978700000000 ] - [ -0.0001085000000000, 0.0000235900000000, 0.0000402900000000 ] - [ -0.0018617800000000, 0.0019331700000000, 0.0011843800000000 ] - [ -0.0000081500000000, 0.0040077800000000, 0.0005204000000000 ] - [ 0.0006983500000000, -0.0001931100000000, -0.0000586100000000 ] - [ 0.0001634000000000, 0.0001196900000000, -0.0000950300000000 ] - [ -0.0000671800000000, 0.0002608700000000, -0.0002658200000000 ] - [ -0.0007835400000000, -0.0002748100000000, 0.0003137000000000 ] - [ -0.0000979000000000, -0.0013156400000000, 0.0001430800000000 ] - [ -0.0019922300000000, -0.0027006100000000, 0.0007836700000000 ] - [ -0.0001054300000000, -0.0005766900000000, -0.0004095600000000 ] - [ -0.0002207800000000, -0.0002915600000000, -0.0001080400000000 ] - [ 0.0001189700000000, 0.0004809500000000, 0.0004330600000000 ] - [ 0.0000347000000000, -0.0003210700000000, -0.0000868200000000 ] - [ -0.0008998400000000, 0.0043774300000000, -0.0001483800000000 ] - [ -0.0009505800000000, -0.0005258000000000, -0.0006035500000000 ] - [ -0.0002522400000000, 0.0009007600000000, 0.0003896800000000 ] - [ 0.0002231000000000, -0.0001897900000000, 0.0002707700000000 ] - [ 0.0001569600000000, -0.0004962600000000, 0.0000512500000000 ] - [ -0.0000484200000000, -0.0005739800000000, 0.0001097900000000 ] - [ 0.0002026500000000, -0.0005231300000000, -0.0003391400000000 ] - [ 0.0010610700000000, 0.0032655300000000, -0.0002109000000000 ] - [ -0.0001952000000000, -0.0001585100000000, -0.0000516400000000 ] - [ -0.0004178700000000, -0.0004681400000000, -0.0000076700000000 ] - [ 0.0000650600000000, 0.0009529100000000, 0.0006540500000000 ] - [ 0.0001710700000000, -0.0000012500000000, -0.0002377700000000 ] - [ 0.0000542800000000, -0.0003595700000000, -0.0018522500000000 ] - [ 0.0003664200000000, -0.0004944100000000, 0.0000959600000000 ] - [ 0.0001979700000000, 0.0007276900000000, -0.0002962700000000 ] - [ 0.0000550800000000, 0.0009958500000000, -0.0000017500000000 ] - [ -0.0018209000000000, 0.0011048900000000, 0.0000061600000000 ] - [ -0.0010402600000000, 0.0032784800000000, 0.0010585000000000 ] - [ 0.0008477900000000, 0.0045861700000000, 0.0021599500000000 ] - [ -0.0002128600000000, 0.0007826400000000, 0.0004999100000000 ] - [ -0.0000882400000000, -0.0001982900000000, 0.0004176800000000 ] - [ -0.0003801700000000, 0.0003120900000000, 0.0000455200000000 ] - [ 0.0000902300000000, -0.0009065400000000, 0.0000095500000000 ] - [ 0.0006147300000000, -0.0005472000000000, -0.0000399600000000 ] - [ -0.0003495400000000, -0.0002514900000000, -0.0000072600000000 ] - [ 0.0004046500000000, -0.0005143400000000, -0.0003327000000000 ] - [ -0.0000798800000000, -0.0008605700000000, 0.0000345900000000 ] - [ -0.0007361400000000, -0.0009248100000000, -0.0012736500000000 ] - [ 0.0000197600000000, -0.0004803600000000, 0.0001220200000000 ] - [ 0.0003585500000000, -0.0026777600000000, -0.0010421400000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0050635700000000, 0.0331772800000000, 0.0039883100000000 ] - [ -0.0000740800000000, -0.0000928500000000, 0.0000127500000000 ] - [ 0.0003252700000000, -0.0002116400000000, -0.0000448400000000 ] - [ -0.0000127300000000, 0.0000085800000000, -0.0000225100000000 ] - [ -0.0001712200000000, -0.0008059700000000, -0.0002408600000000 ] - [ -0.0000805600000000, -0.0005417300000000, -0.0000950000000000 ] - [ 0.0000078100000000, -0.0003929200000000, -0.0002660100000000 ] - [ 0.0009332400000000, -0.0006224900000000, 0.0000239000000000 ] - [ 0.0022327100000000, 0.0001481800000000, 0.0014257400000000 ] - [ -0.0000627100000000, -0.0003823400000000, 0.0000401500000000 ] - [ -0.0000248500000000, 0.0011587600000000, 0.0002845600000000 ] - [ 0.0001672500000000, 0.0012832300000000, -0.0001603200000000 ] - [ 0.0004087500000000, -0.0000024400000000, 0.0000343200000000 ] - [ 0.0000113800000000, 0.0005715000000000, -0.0001618100000000 ] - [ -0.0000089100000000, -0.0003659700000000, 0.0000887100000000 ] - [ -0.0001882300000000, 0.0000984300000000, -0.0001594800000000 ] - [ -0.0000116200000000, -0.0008461300000000, -0.0000810600000000 ] - [ -0.0004854800000000, -0.0004273400000000, -0.0000182600000000 ] - [ -0.0001777300000000, 0.0000103200000000, 0.0002807300000000 ] - [ -0.0009295200000000, 0.0002999900000000, 0.0009656000000000 ] - [ -0.0010989300000000, -0.0014696700000000, 0.0000969500000000 ] - [ -0.0000335300000000, 0.0000033500000000, -0.0001172300000000 ] - [ -0.0003718000000000, -0.0002719000000000, -0.0001511300000000 ] - [ 0.0000722700000000, 0.0003635900000000, 0.0000099900000000 ] - [ -0.0013443600000000, 0.0054236800000000, 0.0020846900000000 ] - [ 0.0012309400000000, 0.0050975700000000, 0.0011664300000000 ] - [ 0.0001047200000000, -0.0015447300000000, -0.0003221100000000 ] - [ -0.0003098200000000, -0.0015834000000000, -0.0005764100000000 ] - [ -0.0000486700000000, -0.0007857700000000, -0.0008289700000000 ] - [ -0.0001796600000000, -0.0001844400000000, -0.0008036600000000 ] - [ -0.0001766600000000, -0.0006074000000000, 0.0007424000000000 ] - [ 0.0000842300000000, -0.0017137600000000, 0.0005582700000000 ] - [ 0.0004218400000000, -0.0027646700000000, -0.0058694600000000 ] - [ -0.0003342300000000, -0.0005949900000000, -0.0006882300000000 ] - [ -0.0000333100000000, 0.0013834200000000, -0.0003503100000000 ] - [ 0.0000360700000000, 0.0011584800000000, -0.0013832300000000 ] - [ 0.0002161700000000, -0.0019261900000000, 0.0009023300000000 ] - [ 0.0043392000000000, -0.0036343300000000, -0.0000580700000000 ] - [ -0.0000231000000000, -0.0015806400000000, -0.0002194500000000 ] - [ -0.0010769500000000, -0.0008891700000000, 0.0015527500000000 ] - [ -0.0008187500000000, -0.0079471300000000, -0.0090002300000000 ] - [ 0.0002542200000000, 0.0007953300000000, 0.0021515700000000 ] - [ 0.0000275500000000, -0.0011678900000000, 0.0001977900000000 ] - [ -0.0000257500000000, 0.0004877000000000, 0.0001742200000000 ] - [ -0.0013182800000000, -0.0019733700000000, -0.0003614800000000 ] - [ 0.0001279800000000, -0.0001581700000000, -0.0004841100000000 ] - [ 0.0001688100000000, 0.0008855300000000, 0.0004829500000000 ] - [ -0.0000229500000000, -0.0011223700000000, 0.0005805100000000 ] - [ -0.0004536000000000, 0.0020860700000000, 0.0000965000000000 ] - [ -0.0000146300000000, 0.0011269700000000, 0.0001178200000000 ] - [ 0.0001725200000000, 0.0000808600000000, -0.0005881500000000 ] - [ 0.0006246500000000, -0.0004888200000000, 0.0001195900000000 ] - [ 0.0003499200000000, -0.0012537400000000, -0.0007576800000000 ] - [ -0.0002006900000000, -0.0052296400000000, 0.0060157800000000 ] - [ 0.0000931000000000, -0.0009020400000000, -0.0000074000000000 ] - [ -0.0000846900000000, 0.0003461800000000, 0.0002854800000000 ] - [ 0.0000629600000000, -0.0005988300000000, -0.0001259600000000 ] - [ 0.0006575700000000, -0.0001693900000000, -0.0004778000000000 ] - [ -0.0001037300000000, -0.0005654600000000, -0.0000905700000000 ] - [ -0.0031941200000000, -0.0015819500000000, -0.0004640100000000 ] - [ -0.0001797600000000, 0.0001864400000000, 0.0002269800000000 ] - [ -0.0000219600000000, -0.0000953600000000, 0.0004306100000000 ] - [ -0.0000258200000000, 0.0012166800000000, 0.0000491800000000 ] - [ -0.0005444000000000, -0.0006528000000000, 0.0001752600000000 ] - [ 0.0001214800000000, 0.0001544700000000, -0.0003130600000000 ] - [ 0.0002319700000000, -0.0007164300000000, -0.0008021800000000 ] - [ 0.0000627000000000, -0.0003658500000000, -0.0000940500000000 ] - [ -0.0012058800000000, -0.0056800100000000, 0.0045206300000000 ] - [ 0.0000605300000000, 0.0001719400000000, 0.0003830000000000 ] - [ 0.0030319000000000, 0.0035239600000000, -0.0014585000000000 ] - [ -0.0004683000000000, -0.0002910600000000, 0.0004328400000000 ] - [ 0.0004267300000000, -0.0009078600000000, 0.0001253500000000 ] - [ -0.0006885500000000, -0.0010826300000000, 0.0005637800000000 ] - [ 0.0002624300000000, -0.0004454500000000, -0.0000319000000000 ] - [ -0.0052484200000000, 0.0023561100000000, -0.0013333300000000 ] - [ -0.0015330700000000, -0.0020952000000000, -0.0003719300000000 ] - [ -0.0004720800000000, -0.0005407300000000, -0.0001605800000000 ] - [ -0.0001051300000000, -0.0012756700000000, -0.0000774900000000 ] - [ 0.0002845900000000, -0.0004354500000000, 0.0001804800000000 ] - [ 0.0020892000000000, -0.0006917400000000, -0.0005171300000000 ] - [ 0.0000912000000000, 0.0011547800000000, -0.0000073200000000 ] - [ -0.0001442600000000, 0.0004745400000000, 0.0005728500000000 ] - [ -0.0030691800000000, -0.0004877800000000, 0.0015910400000000 ] - [ -0.0003177700000000, 0.0014310000000000, -0.0001891300000000 ] - [ -0.0009453400000000, 0.0006779700000000, 0.0010888800000000 ] - [ 0.0016985600000000, -0.0010402600000000, 0.0012820800000000 ] - [ -0.0006787900000000, 0.0006360200000000, 0.0002540300000000 ] - [ -0.0001512200000000, -0.0004446600000000, -0.0005502800000000 ] - [ -0.0003242600000000, 0.0003716200000000, 0.0006654500000000 ] - [ 0.0002242800000000, 0.0001215400000000, 0.0000331300000000 ] - [ 0.0003418900000000, 0.0007270200000000, 0.0001623600000000 ] - [ 0.0000149700000000, 0.0014624000000000, 0.0001503400000000 ] - [ -0.0003945000000000, -0.0001390300000000, 0.0004256100000000 ] - [ 0.0003433500000000, 0.0000957900000000, 0.0008263100000000 ] - [ 0.0000655000000000, 0.0014809200000000, 0.0006525400000000 ] - [ 0.0001238300000000, 0.0001068200000000, -0.0001691100000000 ] - [ -0.0021468500000000, -0.0013492500000000, 0.0020227500000000 ] - [ 0.0003683500000000, 0.0015900800000000, -0.0011273900000000 ] - [ -0.0001401200000000, 0.0003915800000000, 0.0001534700000000 ] - [ -0.0006687300000000, 0.0012149500000000, 0.0001985200000000 ] - [ 0.0000228000000000, -0.0001264200000000, -0.0009413900000000 ] - [ -0.0003768800000000, 0.0004845200000000, -0.0002271400000000 ] - [ -0.0011747200000000, -0.0015362400000000, 0.0000703300000000 ] - [ -0.0000158500000000, -0.0012999800000000, 0.0000203200000000 ] - [ 0.0001598800000000, -0.0013428200000000, -0.0002531600000000 ] - [ 0.0002112800000000, 0.0002370200000000, -0.0000658200000000 ] - [ -0.0001917400000000, 0.0003144000000000, -0.0001087300000000 ] - [ 0.0000608800000000, 0.0006491900000000, -0.0004905200000000 ] - [ -0.0003513500000000, 0.0006499500000000, -0.0000835900000000 ] - [ -0.0002324000000000, 0.0007366200000000, 0.0004331600000000 ] - [ 0.0002543800000000, 0.0009809700000000, -0.0001316900000000 ] - [ 0.0001206400000000, 0.0001878800000000, -0.0002470400000000 ] - [ 0.0001079600000000, -0.0020368100000000, 0.0003569700000000 ] - [ 0.0000473400000000, -0.0018271600000000, 0.0014042800000000 ] - [ -0.0006341200000000, -0.0003686100000000, 0.0003133800000000 ] - [ 0.0004821200000000, 0.0002933800000000, -0.0003096700000000 ] - [ 0.0006316100000000, 0.0010114200000000, 0.0000995300000000 ] - [ 0.0001178900000000, -0.0006959100000000, 0.0002224200000000 ] - [ -0.0000726900000000, 0.0002504000000000, -0.0000855300000000 ] - [ 0.0013079900000000, 0.0006697600000000, 0.0004777600000000 ] - [ -0.0016289600000000, -0.0004426400000000, -0.0000416700000000 ] - [ 0.0000360300000000, -0.0001989100000000, 0.0003197300000000 ] - [ 0.0001452800000000, 0.0008447300000000, -0.0003221800000000 ] - [ 0.0001876300000000, 0.0009403900000000, 0.0000401300000000 ] - [ -0.0005539100000000, -0.0000944500000000, 0.0006137200000000 ] - [ -0.0006322700000000, 0.0015077700000000, -0.0032894000000000 ] - [ -0.0003575900000000, 0.0011579100000000, -0.0007147400000000 ] - [ 0.0002407900000000, -0.0006214400000000, -0.0006732600000000 ] - [ 0.0009636700000000, 0.0011065200000000, 0.0003023600000000 ] - [ -0.0000372100000000, -0.0000262400000000, -0.0003667300000000 ] - [ -0.0001728000000000, 0.0004065500000000, -0.0001827000000000 ] - [ -0.0003447700000000, -0.0003935000000000, 0.0000945400000000 ] - [ -0.0000829700000000, -0.0009592100000000, -0.0000186900000000 ] - [ 0.0002613500000000, 0.0011544600000000, -0.0003804900000000 ] - [ 0.0009467200000000, -0.0017239500000000, -0.0013727500000000 ] - [ 0.0002267100000000, -0.0029749800000000, -0.0009290400000000 ] - [ 0.0002447800000000, 0.0000515400000000, 0.0001813400000000 ] - [ 0.0002297500000000, -0.0001873100000000, -0.0003227700000000 ] - [ 0.0002857800000000, 0.0008710800000000, -0.0001026700000000 ] - [ -0.0001543600000000, 0.0001338700000000, -0.0004383800000000 ] - [ -0.0001793500000000, 0.0002307400000000, 0.0002046300000000 ] - [ 0.0014290100000000, 0.0026287700000000, -0.0009918900000000 ] - [ 0.0000372900000000, 0.0007015200000000, -0.0002539000000000 ] - [ -0.0003324900000000, 0.0004635200000000, 0.0005827200000000 ] - [ -0.0003392700000000, 0.0006423100000000, -0.0000661000000000 ] - [ 0.0004535900000000, 0.0004278000000000, -0.0001653800000000 ] - [ 0.0007150100000000, -0.0050471900000000, 0.0006515600000000 ] - [ -0.0000164900000000, -0.0000587400000000, 0.0007372800000000 ] - [ -0.0002199200000000, -0.0017100200000000, -0.0004523400000000 ] - [ 0.0000043300000000, 0.0000537500000000, 0.0000091900000000 ] - [ 0.0000746200000000, 0.0003662700000000, -0.0004738500000000 ] - [ 0.0002813400000000, 0.0007072900000000, -0.0005354500000000 ] - [ 0.0002809200000000, 0.0000143500000000, -0.0004951900000000 ] - [ -0.0007324000000000, -0.0022840400000000, 0.0001633100000000 ] - [ -0.0002948400000000, 0.0000502900000000, 0.0003053200000000 ] - [ 0.0001432900000000, 0.0007076000000000, 0.0003396600000000 ] - [ 0.0002039300000000, -0.0017379600000000, -0.0004111800000000 ] - [ 0.0003183900000000, -0.0000702500000000, 0.0004561900000000 ] - [ 0.0002790700000000, -0.0001836100000000, 0.0012754400000000 ] - [ -0.0000920600000000, 0.0002550600000000, -0.0004289700000000 ] - [ -0.0000669800000000, -0.0007468300000000, -0.0005386000000000 ] - [ -0.0002061800000000, 0.0001852300000000, 0.0003399600000000 ] - [ 0.0016009400000000, -0.0007798400000000, -0.0001215200000000 ] - [ 0.0014394300000000, -0.0032029200000000, -0.0014787700000000 ] - [ -0.0012136100000000, -0.0043555800000000, -0.0017655000000000 ] - [ -0.0000209000000000, -0.0006491400000000, -0.0000729100000000 ] - [ -0.0000427600000000, 0.0002189700000000, 0.0004100400000000 ] - [ 0.0006532700000000, -0.0000684600000000, -0.0003769500000000 ] - [ 0.0001290300000000, 0.0005752900000000, 0.0001067700000000 ] - [ 0.0003491600000000, -0.0000406400000000, -0.0000922600000000 ] - [ -0.0006148300000000, 0.0008384800000000, 0.0001398700000000 ] - [ 0.0001477600000000, 0.0003432100000000, -0.0001402200000000 ] - [ -0.0002452300000000, 0.0010019300000000, -0.0003678000000000 ] - [ 0.0001607400000000, 0.0008969400000000, 0.0006914600000000 ] - [ 0.0003686900000000, -0.0003867500000000, -0.0000633800000000 ] - [ 0.0002009700000000, 0.0028261500000000, 0.0005594400000000 ]- atom: 1 displacement: [ -0.0035230240541542, 0.0000000000000000, 0.0093588621911988 ] forces: - [ 0.0014708700000000, -0.0020326800000000, -0.0218379000000000 ] - [ -0.0000910400000000, 0.0002377300000000, 0.0001496200000000 ] - [ 0.0002839600000000, -0.0000325000000000, 0.0000683600000000 ] - [ 0.0002112000000000, -0.0003364700000000, 0.0005485500000000 ] - [ 0.0000030100000000, -0.0002658200000000, -0.0002247700000000 ] - [ -0.0000745900000000, -0.0001141600000000, -0.0000478100000000 ] - [ -0.0001436100000000, 0.0003062600000000, -0.0001208800000000 ] - [ 0.0005097600000000, 0.0002185600000000, -0.0002365000000000 ] - [ 0.0012577300000000, -0.0007475300000000, -0.0005139400000000 ] - [ -0.0000310800000000, 0.0000825700000000, -0.0000323500000000 ] - [ -0.0005109200000000, 0.0001310400000000, -0.0004580200000000 ] - [ 0.0006635900000000, -0.0002504300000000, 0.0026014800000000 ] - [ 0.0003914400000000, -0.0000488900000000, 0.0006509700000000 ] - [ -0.0001295400000000, 0.0000555100000000, 0.0003993600000000 ] - [ -0.0000075800000000, -0.0000588800000000, 0.0001747800000000 ] - [ -0.0006440200000000, 0.0002524000000000, 0.0001450900000000 ] - [ -0.0000624100000000, -0.0001911600000000, -0.0001394300000000 ] - [ -0.0004483700000000, -0.0002176900000000, -0.0001548800000000 ] - [ -0.0002268200000000, -0.0000485300000000, 0.0001320000000000 ] - [ -0.0007022200000000, -0.0008888300000000, 0.0003253200000000 ] - [ 0.0001903400000000, -0.0004399000000000, -0.0008704400000000 ] - [ -0.0000625800000000, 0.0003255800000000, -0.0000689100000000 ] - [ -0.0002656400000000, 0.0001311000000000, 0.0001668200000000 ] - [ -0.0000181000000000, 0.0000368800000000, 0.0005705800000000 ] - [ -0.0096841600000000, -0.0017494400000000, 0.0029551000000000 ] - [ 0.0030734800000000, -0.0007609000000000, -0.0016606700000000 ] - [ -0.0003852200000000, 0.0003090600000000, 0.0009347000000000 ] - [ -0.0002482200000000, -0.0001011500000000, -0.0005357900000000 ] - [ 0.0000409000000000, 0.0007233800000000, 0.0003366700000000 ] - [ -0.0003067300000000, 0.0009877500000000, -0.0008887900000000 ] - [ -0.0002889100000000, -0.0002598600000000, 0.0001803800000000 ] - [ 0.0002409200000000, -0.0008048500000000, -0.0006280600000000 ] - [ 0.0007309600000000, 0.0062239600000000, 0.0033758900000000 ] - [ -0.0002694300000000, 0.0004330000000000, -0.0001867400000000 ] - [ -0.0012891600000000, 0.0000281900000000, 0.0029053900000000 ] - [ 0.0009287000000000, 0.0003422200000000, 0.0007857500000000 ] - [ 0.0001618400000000, -0.0004870700000000, -0.0000816800000000 ] - [ 0.0004223100000000, 0.0005371700000000, -0.0035642800000000 ] - [ -0.0000581600000000, -0.0001917300000000, -0.0003223200000000 ] - [ -0.0009534200000000, -0.0017506000000000, 0.0015568600000000 ] - [ 0.0015888800000000, 0.0069244500000000, -0.0003779900000000 ] - [ 0.0006257000000000, -0.0013549800000000, 0.0015871700000000 ] - [ -0.0000125300000000, -0.0002041300000000, 0.0002070500000000 ] - [ -0.0001968500000000, 0.0000970800000000, 0.0013316400000000 ] - [ -0.0003131100000000, -0.0000140700000000, -0.0008019200000000 ] - [ 0.0002083400000000, 0.0005849100000000, 0.0001585200000000 ] - [ -0.0000193200000000, -0.0002050900000000, 0.0006033100000000 ] - [ -0.0000258200000000, -0.0002227900000000, 0.0005334000000000 ] - [ 0.0001773700000000, -0.0010627000000000, 0.0017085400000000 ] - [ -0.0005023800000000, -0.0000861200000000, -0.0000220200000000 ] - [ 0.0001214000000000, -0.0001738200000000, 0.0004706100000000 ] - [ 0.0002153200000000, -0.0001327500000000, 0.0000321000000000 ] - [ 0.0002946800000000, 0.0006055700000000, -0.0000006200000000 ] - [ 0.0026774400000000, -0.0058838700000000, 0.0030296800000000 ] - [ 0.0001564900000000, -0.0001695500000000, 0.0000426100000000 ] - [ 0.0001389300000000, 0.0003260800000000, 0.0012737600000000 ] - [ 0.0000258000000000, 0.0003594600000000, -0.0001006900000000 ] - [ -0.0002142400000000, -0.0000338400000000, 0.0001212800000000 ] - [ -0.0001152400000000, 0.0003303000000000, -0.0000943000000000 ] - [ 0.0014140900000000, 0.0009096400000000, -0.0001412800000000 ] - [ -0.0003032700000000, -0.0000299100000000, -0.0009692300000000 ] - [ -0.0000439100000000, -0.0001317400000000, 0.0007944700000000 ] - [ -0.0002558700000000, 0.0002771500000000, 0.0003072400000000 ] - [ -0.0004928000000000, -0.0005959700000000, 0.0001623900000000 ] - [ 0.0001577700000000, -0.0001306500000000, 0.0008743400000000 ] - [ 0.0000586700000000, 0.0004355400000000, 0.0008919000000000 ] - [ -0.0001367400000000, 0.0002285000000000, 0.0002764500000000 ] - [ -0.0001256600000000, -0.0009156800000000, -0.0002449500000000 ] - [ 0.0001308600000000, 0.0002969100000000, 0.0006070700000000 ] - [ -0.0046013000000000, 0.0016209400000000, -0.0006357200000000 ] - [ -0.0001475500000000, -0.0000310600000000, 0.0005246100000000 ] - [ 0.0001767100000000, 0.0002372000000000, 0.0000241700000000 ] - [ -0.0002568500000000, -0.0003687300000000, 0.0000459900000000 ] - [ -0.0006270700000000, 0.0002139000000000, 0.0000834700000000 ] - [ 0.0046395600000000, -0.0014073200000000, -0.0037211700000000 ] - [ 0.0001359600000000, 0.0004444200000000, -0.0003589700000000 ] - [ 0.0003658100000000, 0.0001945200000000, -0.0000354600000000 ] - [ -0.0000342100000000, -0.0006161100000000, -0.0001308000000000 ] - [ 0.0001737600000000, -0.0004933800000000, 0.0001265700000000 ] - [ -0.0028929700000000, 0.0034040000000000, 0.0003812200000000 ] - [ 0.0002301100000000, 0.0004340600000000, 0.0001006800000000 ] - [ -0.0000961500000000, 0.0000013400000000, 0.0006911300000000 ] - [ 0.0016889500000000, -0.0020023700000000, 0.0001751100000000 ] - [ -0.0002223600000000, 0.0004456800000000, -0.0000634800000000 ] - [ 0.0003025300000000, -0.0024849300000000, 0.0000988600000000 ] - [ -0.0003617800000000, 0.0003473800000000, 0.0007914200000000 ] - [ 0.0004513100000000, -0.0003911500000000, 0.0001810800000000 ] - [ -0.0002251600000000, 0.0001572400000000, -0.0011483300000000 ] - [ -0.0001400200000000, -0.0001430000000000, 0.0003151900000000 ] - [ 0.0002325900000000, -0.0004565200000000, -0.0000245300000000 ] - [ 0.0001656300000000, 0.0000430900000000, 0.0003394100000000 ] - [ -0.0001273200000000, 0.0007133800000000, 0.0002285400000000 ] - [ -0.0005487200000000, 0.0001187100000000, -0.0005525500000000 ] - [ 0.0002163900000000, -0.0000513200000000, -0.0005230800000000 ] - [ -0.0001564800000000, -0.0012874400000000, 0.0006187200000000 ] - [ 0.0001483400000000, -0.0006897000000000, -0.0001611500000000 ] - [ 0.0018925900000000, -0.0019780600000000, -0.0006861600000000 ] - [ -0.0004136000000000, 0.0019962400000000, -0.0009227400000000 ] - [ -0.0002030800000000, 0.0000343600000000, 0.0000833600000000 ] - [ -0.0001852500000000, 0.0002832200000000, -0.0000139800000000 ] - [ 0.0001700600000000, 0.0002895800000000, -0.0000056700000000 ] - [ -0.0002705700000000, -0.0001122200000000, -0.0004333000000000 ] - [ 0.0014978200000000, -0.0004995700000000, 0.0031909500000000 ] - [ 0.0007416000000000, -0.0001532800000000, 0.0004923200000000 ] - [ 0.0004801000000000, -0.0002672400000000, -0.0005530600000000 ] - [ -0.0000615700000000, 0.0001067500000000, 0.0005257600000000 ] - [ -0.0002901000000000, 0.0000409200000000, -0.0002910800000000 ] - [ 0.0002298600000000, 0.0002575100000000, -0.0003281400000000 ] - [ -0.0000110400000000, 0.0000801600000000, 0.0000423700000000 ] - [ -0.0001381900000000, 0.0001875800000000, 0.0000993000000000 ] - [ -0.0003481600000000, -0.0006391600000000, 0.0008811700000000 ] - [ 0.0000176800000000, 0.0002297100000000, -0.0004501400000000 ] - [ 0.0020647400000000, -0.0002401700000000, -0.0012116900000000 ] - [ 0.0001564400000000, -0.0000682400000000, -0.0014470300000000 ] - [ -0.0001286400000000, -0.0003449600000000, 0.0011419900000000 ] - [ 0.0006147100000000, 0.0003841900000000, -0.0004799500000000 ] - [ 0.0004007000000000, 0.0001424200000000, 0.0003062300000000 ] - [ 0.0004540200000000, -0.0000877600000000, -0.0003388100000000 ] - [ -0.0001323600000000, -0.0004772600000000, -0.0001802100000000 ] - [ -0.0003325800000000, -0.0011606100000000, 0.0004380700000000 ] - [ 0.0018622500000000, -0.0004716500000000, -0.0001433400000000 ] - [ -0.0003558800000000, -0.0002792700000000, -0.0000942800000000 ] - [ -0.0000036400000000, 0.0004000500000000, -0.0000191500000000 ] - [ 0.0001963600000000, 0.0003087500000000, 0.0000739400000000 ] - [ -0.0000061100000000, -0.0008956000000000, -0.0004856100000000 ] - [ -0.0000956100000000, 0.0005346700000000, 0.0000264100000000 ] - [ -0.0001729000000000, -0.0001237400000000, 0.0000643500000000 ] - [ 0.0001426400000000, 0.0002015500000000, -0.0015956700000000 ] - [ 0.0003283800000000, -0.0000640300000000, 0.0000820000000000 ] - [ 0.0008029900000000, 0.0006364200000000, 0.0003837500000000 ] - [ -0.0000272900000000, -0.0000314600000000, 0.0003011100000000 ] - [ -0.0002251900000000, 0.0000372800000000, -0.0005778500000000 ] - [ -0.0000886500000000, -0.0000116800000000, -0.0002981000000000 ] - [ 0.0001715000000000, 0.0008036300000000, -0.0001634100000000 ] - [ -0.0011878800000000, 0.0008619700000000, 0.0012523700000000 ] - [ 0.0007490200000000, 0.0013594300000000, 0.0028669000000000 ] - [ 0.0008172100000000, -0.0003170100000000, -0.0001305800000000 ] - [ 0.0002438400000000, 0.0002091100000000, -0.0011871000000000 ] - [ -0.0000378600000000, 0.0002528100000000, -0.0002435400000000 ] - [ -0.0002178300000000, 0.0003351800000000, -0.0002238100000000 ] - [ -0.0001040600000000, -0.0006697700000000, 0.0001223100000000 ] - [ -0.0000055900000000, 0.0004458700000000, 0.0002271000000000 ] - [ -0.0000277800000000, -0.0000161400000000, -0.0004204700000000 ] - [ -0.0002865300000000, -0.0002411400000000, -0.0001269400000000 ] - [ -0.0003687200000000, 0.0008553000000000, 0.0000299300000000 ] - [ 0.0002241300000000, 0.0000199200000000, -0.0002475500000000 ] - [ -0.0006033900000000, 0.0003796800000000, 0.0029165300000000 ] - [ -0.0009824500000000, -0.0007495900000000, -0.0004067700000000 ] - [ -0.0009385400000000, -0.0000084900000000, -0.0011760500000000 ] - [ -0.0000351900000000, -0.0000771200000000, -0.0002959800000000 ] - [ 0.0000619500000000, 0.0000641800000000, -0.0004251500000000 ] - [ 0.0001412300000000, 0.0000071300000000, -0.0001227900000000 ] - [ 0.0002575600000000, -0.0001421800000000, -0.0005782800000000 ] - [ -0.0016909300000000, 0.0003797400000000, 0.0027965700000000 ] - [ 0.0000060200000000, -0.0000214600000000, -0.0002700700000000 ] - [ -0.0000768000000000, -0.0000557900000000, 0.0002398400000000 ] - [ 0.0002402800000000, 0.0002557300000000, -0.0010169200000000 ] - [ 0.0002362600000000, -0.0001501500000000, -0.0003749700000000 ] - [ -0.0000412800000000, -0.0010626600000000, -0.0010646700000000 ] - [ 0.0000692200000000, 0.0001115500000000, -0.0002341800000000 ] - [ -0.0003246800000000, 0.0001654300000000, -0.0012937000000000 ] - [ 0.0002408200000000, 0.0001394800000000, -0.0004655200000000 ] - [ -0.0010967000000000, -0.0000573200000000, 0.0004063000000000 ] - [ -0.0014509600000000, 0.0007247100000000, 0.0044800400000000 ] - [ -0.0010521100000000, 0.0019915300000000, 0.0035980200000000 ] - [ 0.0000841800000000, -0.0002944400000000, -0.0014338900000000 ] - [ 0.0000041400000000, 0.0000307300000000, -0.0001627500000000 ] - [ 0.0007721500000000, 0.0006647500000000, -0.0001089300000000 ] - [ 0.0000736600000000, -0.0002720200000000, 0.0000382600000000 ] - [ 0.0003183200000000, -0.0001259100000000, -0.0001705000000000 ] - [ -0.0003602400000000, 0.0000720500000000, 0.0001349500000000 ] - [ 0.0002595100000000, -0.0001685900000000, -0.0004669200000000 ] - [ -0.0001592000000000, 0.0000849300000000, -0.0002156200000000 ] - [ -0.0003525100000000, -0.0006292700000000, -0.0000954000000000 ] - [ 0.0003620000000000, -0.0002806100000000, -0.0001902300000000 ] - [ 0.0001029400000000, -0.0006845800000000, 0.0006054800000000 ]- atom: 1 displacement: [ 0.0035230240541542, 0.0000000000000000, -0.0093588621911988 ] forces: - [ -0.0014633800000000, 0.0015997400000000, 0.0223681300000000 ] - [ -0.0000366700000000, 0.0002022300000000, -0.0002046400000000 ] - [ 0.0003335300000000, 0.0000224500000000, -0.0002138900000000 ] - [ -0.0001189500000000, -0.0003287000000000, -0.0002679100000000 ] - [ -0.0000957000000000, -0.0003981100000000, -0.0000552600000000 ] - [ -0.0001153100000000, -0.0000991800000000, -0.0001371300000000 ] - [ -0.0000459700000000, -0.0000924900000000, -0.0000650400000000 ] - [ 0.0003563400000000, 0.0001190000000000, 0.0004548200000000 ] - [ -0.0012041500000000, 0.0006475100000000, 0.0003884900000000 ] - [ -0.0000274700000000, 0.0000214300000000, 0.0001455900000000 ] - [ 0.0006000100000000, 0.0005332900000000, 0.0007359000000000 ] - [ -0.0005442000000000, -0.0001896100000000, -0.0025696100000000 ] - [ 0.0004768600000000, -0.0002847500000000, -0.0004319000000000 ] - [ 0.0001891500000000, 0.0000475700000000, -0.0005116200000000 ] - [ -0.0000509400000000, -0.0000448000000000, -0.0000611300000000 ] - [ 0.0000240800000000, -0.0002614700000000, -0.0000012300000000 ] - [ -0.0000654900000000, -0.0002481900000000, 0.0000840600000000 ] - [ -0.0004196100000000, -0.0001180800000000, -0.0000632000000000 ] - [ -0.0006411500000000, 0.0003843700000000, -0.0003486400000000 ] - [ 0.0008268500000000, 0.0013206300000000, -0.0002717700000000 ] - [ 0.0004247700000000, 0.0004453300000000, 0.0007281500000000 ] - [ -0.0000297600000000, 0.0003385600000000, -0.0002103500000000 ] - [ -0.0003522200000000, -0.0001211900000000, -0.0000203700000000 ] - [ 0.0002073400000000, 0.0001747700000000, -0.0003845600000000 ] - [ 0.0103077000000000, 0.0014467100000000, -0.0020438400000000 ] - [ -0.0029866600000000, 0.0002774900000000, 0.0019718100000000 ] - [ 0.0000134100000000, -0.0013362100000000, -0.0002693700000000 ] - [ -0.0002758400000000, -0.0002179700000000, -0.0003825500000000 ] - [ -0.0001094400000000, -0.0002485800000000, -0.0006265200000000 ] - [ 0.0004973400000000, -0.0006729300000000, 0.0000200100000000 ] - [ 0.0001027200000000, 0.0005739100000000, 0.0006926100000000 ] - [ -0.0001238500000000, 0.0011803000000000, 0.0007175000000000 ] - [ -0.0010851000000000, -0.0051575700000000, -0.0027119500000000 ] - [ -0.0002558200000000, -0.0001119300000000, -0.0007334200000000 ] - [ 0.0011601600000000, -0.0003996500000000, -0.0029824600000000 ] - [ -0.0007381900000000, -0.0006519600000000, -0.0016627600000000 ] - [ 0.0002355700000000, 0.0006734600000000, -0.0000081500000000 ] - [ -0.0000419300000000, -0.0015708100000000, 0.0028952100000000 ] - [ -0.0000117600000000, -0.0002812600000000, 0.0000347200000000 ] - [ 0.0013505900000000, 0.0015716600000000, -0.0016402300000000 ] - [ -0.0017256100000000, -0.0065690900000000, 0.0003255800000000 ] - [ -0.0000975900000000, 0.0016620300000000, -0.0006691500000000 ] - [ 0.0001300300000000, -0.0001695400000000, -0.0001205300000000 ] - [ -0.0002038600000000, 0.0000898700000000, -0.0012462300000000 ] - [ -0.0000810700000000, -0.0001645100000000, 0.0008888500000000 ] - [ 0.0001631000000000, 0.0004388200000000, -0.0008213500000000 ] - [ 0.0000870000000000, 0.0006753000000000, -0.0003165900000000 ] - [ -0.0001608400000000, -0.0000907000000000, 0.0003368700000000 ] - [ -0.0004860500000000, 0.0005777600000000, -0.0017458400000000 ] - [ 0.0005741400000000, 0.0004820000000000, 0.0001916700000000 ] - [ 0.0003304800000000, 0.0002426800000000, -0.0011613000000000 ] - [ 0.0000782100000000, -0.0000003400000000, 0.0005106100000000 ] - [ 0.0001241100000000, 0.0000585200000000, -0.0002373300000000 ] - [ -0.0031214200000000, 0.0065906800000000, -0.0028030700000000 ] - [ 0.0001596700000000, -0.0003064200000000, 0.0000113300000000 ] - [ 0.0001614300000000, -0.0011046100000000, -0.0017281200000000 ] - [ 0.0000073000000000, 0.0002529300000000, -0.0001158600000000 ] - [ 0.0006338800000000, -0.0006245800000000, -0.0003615500000000 ] - [ 0.0000446000000000, 0.0000656900000000, -0.0000739400000000 ] - [ -0.0014320500000000, -0.0015099000000000, 0.0003537500000000 ] - [ 0.0000084100000000, 0.0001631800000000, 0.0004231500000000 ] - [ 0.0003384400000000, 0.0002651200000000, -0.0002499600000000 ] - [ 0.0002200000000000, 0.0003343800000000, -0.0000908300000000 ] - [ 0.0000727200000000, -0.0000682400000000, 0.0000756400000000 ] - [ -0.0004510400000000, -0.0000022200000000, -0.0014154500000000 ] - [ 0.0001949200000000, -0.0006953400000000, -0.0010336100000000 ] - [ -0.0001166300000000, 0.0000313500000000, -0.0001331200000000 ] - [ 0.0004336200000000, 0.0017140800000000, -0.0002380400000000 ] - [ -0.0004322300000000, 0.0004847200000000, -0.0001506200000000 ] - [ 0.0048045700000000, -0.0013317800000000, 0.0004772400000000 ] - [ -0.0003022100000000, -0.0000381100000000, 0.0001705800000000 ] - [ 0.0001394800000000, 0.0002390100000000, 0.0000300400000000 ] - [ -0.0000425500000000, -0.0004102900000000, 0.0004078300000000 ] - [ 0.0001766200000000, -0.0001457100000000, 0.0006083600000000 ] - [ -0.0042102400000000, 0.0013306200000000, 0.0029919500000000 ] - [ -0.0003917800000000, -0.0007061100000000, 0.0004981700000000 ] - [ -0.0004362600000000, -0.0005894500000000, -0.0001338900000000 ] - [ 0.0000669100000000, 0.0000043800000000, -0.0000855100000000 ] - [ -0.0001031600000000, 0.0000964100000000, 0.0000415700000000 ] - [ 0.0025818700000000, -0.0029356600000000, -0.0004500700000000 ] - [ 0.0002437300000000, 0.0003683600000000, -0.0000352600000000 ] - [ -0.0000348800000000, -0.0000205800000000, 0.0001401500000000 ] - [ -0.0022415000000000, 0.0018201700000000, 0.0003095800000000 ] - [ -0.0000486800000000, 0.0003316200000000, -0.0001793000000000 ] - [ -0.0002338000000000, 0.0023712300000000, 0.0005658200000000 ] - [ 0.0008523700000000, -0.0002792900000000, -0.0005632400000000 ] - [ 0.0000372300000000, 0.0002843100000000, -0.0004325000000000 ] - [ -0.0003363600000000, -0.0000743200000000, 0.0009416200000000 ] - [ -0.0002518400000000, 0.0000742600000000, 0.0001000600000000 ] - [ 0.0002416900000000, -0.0003462300000000, 0.0000902000000000 ] - [ 0.0000623800000000, 0.0000939200000000, -0.0000591500000000 ] - [ -0.0001508500000000, 0.0003731700000000, 0.0001189600000000 ] - [ 0.0000639500000000, 0.0003915100000000, 0.0013851200000000 ] - [ 0.0003529300000000, 0.0000252900000000, 0.0010947200000000 ] - [ 0.0000051200000000, 0.0001051900000000, -0.0002835000000000 ] - [ 0.0000706200000000, -0.0004366200000000, -0.0002069800000000 ] - [ -0.0015644300000000, 0.0027110100000000, 0.0008414300000000 ] - [ 0.0005688400000000, -0.0031774200000000, 0.0005859400000000 ] - [ -0.0001885500000000, 0.0000333500000000, 0.0003297700000000 ] - [ -0.0002017200000000, 0.0005826500000000, -0.0000458700000000 ] - [ -0.0000376400000000, -0.0002701400000000, -0.0008226700000000 ] - [ -0.0002997400000000, 0.0001398800000000, -0.0001398200000000 ] - [ -0.0009339200000000, 0.0005315500000000, -0.0025971300000000 ] - [ -0.0009686800000000, -0.0009757100000000, -0.0001268500000000 ] - [ -0.0002018900000000, -0.0008153800000000, 0.0002049700000000 ] - [ -0.0001777100000000, -0.0000162900000000, -0.0003294800000000 ] - [ -0.0001951900000000, 0.0000302500000000, 0.0000762400000000 ] - [ 0.0002530200000000, 0.0002527300000000, -0.0005065400000000 ] - [ 0.0002484800000000, -0.0001704800000000, -0.0002362900000000 ] - [ -0.0001941400000000, 0.0003532400000000, 0.0004861700000000 ] - [ 0.0000155800000000, 0.0000969200000000, -0.0002945600000000 ] - [ 0.0005486900000000, -0.0003202300000000, 0.0006567400000000 ] - [ -0.0017159400000000, 0.0007734700000000, 0.0006278800000000 ] - [ -0.0000894000000000, 0.0001876300000000, 0.0020960200000000 ] - [ -0.0003512500000000, -0.0001667600000000, -0.0003055100000000 ] - [ -0.0003783600000000, -0.0002960100000000, 0.0002847300000000 ] - [ 0.0001643100000000, -0.0000546000000000, -0.0000990400000000 ] - [ -0.0001262100000000, 0.0002244500000000, 0.0006712200000000 ] - [ -0.0001393000000000, -0.0003002100000000, -0.0000624600000000 ] - [ 0.0006565900000000, 0.0010133900000000, -0.0001059000000000 ] - [ -0.0023422300000000, 0.0012787600000000, 0.0000799300000000 ] - [ 0.0000806900000000, 0.0000388100000000, 0.0004267000000000 ] - [ -0.0003221300000000, -0.0005404600000000, -0.0003141800000000 ] - [ 0.0000232600000000, 0.0000230900000000, 0.0000426200000000 ] - [ -0.0003815500000000, 0.0000273000000000, 0.0004269000000000 ] - [ -0.0001342800000000, -0.0006737700000000, -0.0002936100000000 ] - [ 0.0001035600000000, 0.0000029500000000, -0.0007279500000000 ] - [ -0.0003746900000000, -0.0000670100000000, 0.0013133500000000 ] - [ 0.0006147500000000, 0.0002062700000000, 0.0000404800000000 ] - [ 0.0001612000000000, -0.0000492100000000, -0.0005163100000000 ] - [ -0.0004584000000000, -0.0000398000000000, -0.0005168700000000 ] - [ -0.0000099300000000, -0.0001272900000000, 0.0007713400000000 ] - [ -0.0001270700000000, -0.0003190900000000, 0.0001821200000000 ] - [ -0.0000200700000000, 0.0003752100000000, -0.0001741600000000 ] - [ 0.0003376900000000, -0.0005925900000000, -0.0015444100000000 ] - [ -0.0005254600000000, -0.0003079200000000, -0.0032485200000000 ] - [ 0.0001277600000000, 0.0001712400000000, 0.0002542800000000 ] - [ 0.0001487100000000, -0.0002737100000000, 0.0007680800000000 ] - [ 0.0002568800000000, 0.0008754800000000, -0.0001241200000000 ] - [ -0.0007210500000000, -0.0004730200000000, 0.0001025300000000 ] - [ -0.0001733100000000, -0.0004178400000000, 0.0002259800000000 ] - [ -0.0005668800000000, -0.0005426400000000, -0.0004290700000000 ] - [ -0.0000407800000000, 0.0001394400000000, -0.0002426700000000 ] - [ -0.0002670800000000, 0.0004146400000000, 0.0005998700000000 ] - [ 0.0001489500000000, 0.0002710700000000, 0.0003393400000000 ] - [ 0.0002638800000000, 0.0000861700000000, -0.0000048500000000 ] - [ 0.0003696200000000, -0.0005101200000000, -0.0024941000000000 ] - [ 0.0000149100000000, 0.0001606600000000, 0.0005401900000000 ] - [ 0.0004572000000000, -0.0007901100000000, 0.0011055300000000 ] - [ 0.0002637900000000, -0.0000614200000000, 0.0005761800000000 ] - [ 0.0001701700000000, -0.0001964500000000, 0.0000000000000000 ] - [ 0.0000905900000000, 0.0001241200000000, -0.0003004400000000 ] - [ 0.0002258000000000, -0.0003681300000000, -0.0002569100000000 ] - [ 0.0020687500000000, 0.0005213900000000, -0.0027669900000000 ] - [ -0.0004944200000000, -0.0000842000000000, 0.0005218500000000 ] - [ -0.0002009300000000, 0.0002938500000000, 0.0000906900000000 ] - [ 0.0000282400000000, -0.0010278200000000, 0.0012514700000000 ] - [ 0.0002515600000000, 0.0000803600000000, 0.0005900100000000 ] - [ 0.0003746500000000, 0.0005265900000000, 0.0004771700000000 ] - [ 0.0002079700000000, -0.0003497800000000, -0.0000958800000000 ] - [ 0.0004577600000000, -0.0001837100000000, 0.0004556700000000 ] - [ -0.0003903700000000, 0.0010348100000000, 0.0008034200000000 ] - [ 0.0008700400000000, 0.0003884100000000, -0.0005213200000000 ] - [ 0.0018819000000000, -0.0006470400000000, -0.0049030500000000 ] - [ 0.0006032600000000, -0.0018400800000000, -0.0033216300000000 ] - [ -0.0003171500000000, 0.0004287800000000, 0.0018576400000000 ] - [ -0.0001355900000000, -0.0000120200000000, 0.0009920200000000 ] - [ -0.0004990200000000, -0.0004270300000000, -0.0002237800000000 ] - [ 0.0001455200000000, -0.0000612700000000, 0.0000786600000000 ] - [ 0.0006456200000000, -0.0004601400000000, 0.0000386700000000 ] - [ -0.0006034600000000, 0.0005140500000000, -0.0000037300000000 ] - [ 0.0002931400000000, -0.0000030000000000, -0.0000061200000000 ] - [ -0.0001657300000000, 0.0000523700000000, -0.0001162200000000 ] - [ -0.0002186400000000, 0.0006013600000000, -0.0004756500000000 ] - [ 0.0000254400000000, -0.0005845100000000, 0.0002496200000000 ] - [ 0.0004495600000000, 0.0008628000000000, -0.0010738100000000 ]- atom: 2 displacement: [ 0.0099999639143206, 0.0000000000000000, -0.0000268647033593 ] forces: - [ 0.0000807700000000, -0.0000962600000000, 0.0000565200000000 ] - [ -0.0373653700000000, -0.0068806100000000, 0.0032237700000000 ] - [ 0.0003029500000000, 0.0003018300000000, -0.0000650000000000 ] - [ 0.0000857800000000, -0.0003015500000000, 0.0001317500000000 ] - [ 0.0002738500000000, -0.0003490800000000, -0.0002042700000000 ] - [ 0.0002817200000000, -0.0010967500000000, -0.0007671700000000 ] - [ -0.0010328800000000, 0.0000031600000000, 0.0001971300000000 ] - [ 0.0004294700000000, 0.0001884900000000, 0.0001051600000000 ] - [ 0.0000471700000000, -0.0000374400000000, -0.0000458900000000 ] - [ 0.0000075300000000, -0.0000079000000000, 0.0002778600000000 ] - [ 0.0000564000000000, 0.0003461900000000, 0.0001791400000000 ] - [ 0.0000816300000000, -0.0001033200000000, -0.0000435500000000 ] - [ 0.0005266100000000, -0.0014962000000000, -0.0001179500000000 ] - [ 0.0000265800000000, 0.0000038300000000, -0.0000528800000000 ] - [ 0.0017961300000000, -0.0001176600000000, 0.0000352300000000 ] - [ -0.0002333400000000, 0.0001993100000000, 0.0003020200000000 ] - [ -0.0000809000000000, -0.0002317200000000, -0.0001890400000000 ] - [ -0.0004366800000000, -0.0002809700000000, 0.0000201300000000 ] - [ 0.0003840700000000, 0.0002509300000000, -0.0002953200000000 ] - [ 0.0000398100000000, 0.0002491500000000, 0.0000458500000000 ] - [ 0.0002922900000000, -0.0000102400000000, -0.0001181700000000 ] - [ 0.0017200900000000, 0.0025442400000000, 0.0018455000000000 ] - [ -0.0002564800000000, 0.0000239100000000, 0.0000662700000000 ] - [ 0.0000564400000000, 0.0001580200000000, 0.0000790300000000 ] - [ 0.0000304100000000, -0.0002016700000000, 0.0003999500000000 ] - [ 0.0002533400000000, -0.0002675200000000, 0.0000877300000000 ] - [ -0.0003720800000000, -0.0003192600000000, 0.0003955700000000 ] - [ 0.0002366800000000, -0.0001525400000000, -0.0002246400000000 ] - [ 0.0078607500000000, -0.0024453600000000, -0.0090819800000000 ] - [ 0.0001110100000000, 0.0002470100000000, -0.0003956900000000 ] - [ -0.0002664600000000, 0.0001563800000000, 0.0030130900000000 ] - [ -0.0002588500000000, 0.0002039000000000, -0.0026812200000000 ] - [ -0.0001440500000000, -0.0002272000000000, -0.0001856400000000 ] - [ 0.0059729300000000, 0.0015217200000000, 0.0047977400000000 ] - [ -0.0004270300000000, 0.0001295800000000, 0.0001461600000000 ] - [ 0.0006045600000000, -0.0001307400000000, -0.0002987200000000 ] - [ 0.0000877500000000, 0.0005994800000000, -0.0003323800000000 ] - [ 0.0001524200000000, -0.0004139800000000, -0.0003355300000000 ] - [ -0.0005922300000000, -0.0001335200000000, 0.0001806200000000 ] - [ -0.0038519600000000, 0.0002914600000000, -0.0012204200000000 ] - [ -0.0000785300000000, 0.0002303300000000, -0.0000962700000000 ] - [ 0.0002703900000000, 0.0002535900000000, 0.0004602100000000 ] - [ -0.0047587500000000, -0.0007790900000000, 0.0003086600000000 ] - [ 0.0008738800000000, 0.0042880300000000, 0.0007949300000000 ] - [ -0.0001826300000000, -0.0000667900000000, 0.0000231300000000 ] - [ 0.0001215200000000, -0.0001522100000000, -0.0007443500000000 ] - [ 0.0000868000000000, 0.0003332400000000, 0.0001942100000000 ] - [ 0.0014060800000000, 0.0000129200000000, 0.0004397800000000 ] - [ -0.0001200600000000, -0.0004124300000000, -0.0000153500000000 ] - [ 0.0002052000000000, -0.0000846200000000, 0.0002090700000000 ] - [ 0.0002853900000000, 0.0000919300000000, -0.0003555500000000 ] - [ 0.0003748600000000, -0.0001382500000000, 0.0003104400000000 ] - [ 0.0001753300000000, 0.0002777800000000, -0.0001601900000000 ] - [ -0.0001514600000000, 0.0008490200000000, -0.0001319900000000 ] - [ 0.0029495400000000, -0.0033370300000000, 0.0003884500000000 ] - [ -0.0006427100000000, -0.0000684200000000, -0.0003872200000000 ] - [ 0.0021713900000000, 0.0027129900000000, -0.0008949000000000 ] - [ -0.0061968100000000, 0.0009952500000000, 0.0010555900000000 ] - [ 0.0000123600000000, 0.0004345600000000, -0.0000678800000000 ] - [ 0.0000114400000000, -0.0002680000000000, 0.0001051900000000 ] - [ -0.0001453100000000, 0.0000755900000000, -0.0002071100000000 ] - [ 0.0055003700000000, -0.0034999500000000, 0.0075519200000000 ] - [ 0.0000702700000000, 0.0006756500000000, 0.0000941100000000 ] - [ -0.0003644100000000, -0.0002887000000000, 0.0001338900000000 ] - [ 0.0004588400000000, 0.0002345700000000, -0.0003968500000000 ] - [ 0.0001023200000000, -0.0000983400000000, -0.0001198000000000 ] - [ -0.0006913700000000, 0.0008352900000000, 0.0004049900000000 ] - [ 0.0001573600000000, 0.0004279500000000, -0.0002710500000000 ] - [ 0.0075469800000000, 0.0047357600000000, -0.0047914600000000 ] - [ 0.0000453500000000, 0.0000374500000000, -0.0000116500000000 ] - [ 0.0005085700000000, 0.0002134500000000, 0.0004481900000000 ] - [ 0.0008621600000000, 0.0001354700000000, 0.0000103500000000 ] - [ -0.0001899000000000, -0.0004846600000000, 0.0002788300000000 ] - [ -0.0001357500000000, 0.0002913700000000, 0.0013925800000000 ] - [ 0.0004323900000000, -0.0001311800000000, -0.0002683300000000 ] - [ -0.0003890400000000, 0.0000057500000000, -0.0008382000000000 ] - [ 0.0014041800000000, -0.0005251500000000, 0.0000235300000000 ] - [ -0.0014783900000000, -0.0004736100000000, -0.0000827200000000 ] - [ 0.0002642500000000, -0.0001252600000000, 0.0000943500000000 ] - [ -0.0001828000000000, 0.0002932000000000, -0.0000230300000000 ] - [ -0.0002943600000000, 0.0003090000000000, -0.0002753700000000 ] - [ -0.0000772600000000, 0.0000037800000000, 0.0003375400000000 ] - [ -0.0000383200000000, 0.0000290900000000, 0.0002932400000000 ] - [ -0.0006198900000000, 0.0005472800000000, 0.0002014300000000 ] - [ 0.0000606200000000, -0.0001260100000000, 0.0003086300000000 ] - [ 0.0000907100000000, 0.0000124100000000, -0.0000152600000000 ] - [ 0.0004022900000000, -0.0001870700000000, -0.0004662600000000 ] - [ 0.0003878000000000, -0.0008651100000000, 0.0003401300000000 ] - [ -0.0003704400000000, -0.0003065200000000, -0.0013635700000000 ] - [ -0.0016804000000000, 0.0004377000000000, -0.0001660800000000 ] - [ 0.0001112400000000, 0.0000854900000000, 0.0001073100000000 ] - [ 0.0007096600000000, 0.0006335900000000, 0.0006322200000000 ] - [ -0.0006946100000000, 0.0002922500000000, 0.0003442400000000 ] - [ 0.0002694800000000, 0.0000217900000000, 0.0003177500000000 ] - [ -0.0000686800000000, -0.0005792600000000, 0.0001914900000000 ] - [ 0.0000667700000000, -0.0007798100000000, -0.0003856600000000 ] - [ 0.0001805600000000, 0.0003424000000000, 0.0001416100000000 ] - [ 0.0001815300000000, -0.0011537200000000, 0.0003993700000000 ] - [ -0.0008054700000000, -0.0000976200000000, 0.0001164600000000 ] - [ -0.0000230400000000, 0.0004837900000000, 0.0000045800000000 ] - [ 0.0000635500000000, -0.0000029700000000, -0.0004813400000000 ] - [ 0.0000993000000000, -0.0003912200000000, -0.0006794700000000 ] - [ 0.0002728400000000, 0.0000362200000000, 0.0002597200000000 ] - [ -0.0001543100000000, -0.0003621200000000, 0.0002002400000000 ] - [ 0.0001643500000000, -0.0007290300000000, -0.0001852600000000 ] - [ -0.0001034900000000, 0.0000344800000000, 0.0000563000000000 ] - [ -0.0009526400000000, -0.0002661400000000, -0.0001352700000000 ] - [ -0.0000760500000000, 0.0003450000000000, -0.0005445200000000 ] - [ -0.0000872000000000, -0.0000875700000000, 0.0000090200000000 ] - [ 0.0020609900000000, 0.0015087600000000, 0.0004596400000000 ] - [ -0.0000877700000000, -0.0003896600000000, 0.0010742300000000 ] - [ 0.0067482800000000, 0.0039331600000000, -0.0027503500000000 ] - [ 0.0002325800000000, 0.0002817600000000, -0.0003985300000000 ] - [ 0.0001615100000000, 0.0002985700000000, 0.0003398000000000 ] - [ -0.0002523200000000, -0.0002713800000000, 0.0003835300000000 ] - [ 0.0024735500000000, 0.0023584000000000, -0.0031188400000000 ] - [ 0.0003997200000000, 0.0000824400000000, 0.0001606100000000 ] - [ 0.0001002000000000, -0.0004931500000000, -0.0000594200000000 ] - [ 0.0016592000000000, 0.0001782400000000, -0.0000510200000000 ] - [ 0.0001495100000000, -0.0001057500000000, 0.0001725900000000 ] - [ -0.0002167700000000, 0.0003806000000000, -0.0000335700000000 ] - [ -0.0013940400000000, -0.0002414800000000, -0.0002771500000000 ] - [ 0.0008376800000000, 0.0000453900000000, -0.0000326400000000 ] - [ 0.0009689300000000, 0.0000990300000000, -0.0007771500000000 ] - [ 0.0030376000000000, 0.0014730600000000, 0.0011257500000000 ] - [ -0.0001278200000000, -0.0001421400000000, -0.0001276500000000 ] - [ -0.0004402400000000, -0.0000340800000000, -0.0001471000000000 ] - [ 0.0003919700000000, 0.0001594000000000, -0.0000049600000000 ] - [ 0.0003887600000000, 0.0001327900000000, 0.0001312400000000 ] - [ 0.0002661700000000, 0.0004961100000000, -0.0002679200000000 ] - [ -0.0003864000000000, -0.0000442900000000, -0.0010293200000000 ] - [ -0.0008787700000000, -0.0006563700000000, 0.0002756800000000 ] - [ -0.0002294400000000, -0.0002838800000000, -0.0000716800000000 ] - [ 0.0002891200000000, 0.0005960100000000, -0.0001876300000000 ] - [ -0.0002442300000000, -0.0001533600000000, 0.0000337100000000 ] - [ 0.0001101000000000, 0.0005044900000000, -0.0001530800000000 ] - [ 0.0030698400000000, -0.0017341300000000, -0.0011731400000000 ] - [ 0.0001823300000000, -0.0000819700000000, -0.0001866700000000 ] - [ -0.0023298300000000, 0.0007427200000000, -0.0001164900000000 ] - [ -0.0003874100000000, -0.0001091700000000, -0.0000590300000000 ] - [ 0.0009803000000000, -0.0018634500000000, 0.0013367500000000 ] - [ -0.0002517500000000, -0.0000980500000000, -0.0000589500000000 ] - [ 0.0001501100000000, 0.0021307300000000, -0.0001519800000000 ] - [ -0.0001576900000000, 0.0000613700000000, 0.0003120300000000 ] - [ -0.0002059400000000, 0.0005140600000000, 0.0001775300000000 ] - [ -0.0003672400000000, 0.0000486300000000, -0.0000379500000000 ] - [ -0.0001203300000000, -0.0000974900000000, 0.0002519700000000 ] - [ -0.0014854900000000, 0.0001140100000000, 0.0003907400000000 ] - [ -0.0002997900000000, -0.0003955300000000, -0.0000479400000000 ] - [ -0.0029422500000000, -0.0020126800000000, -0.0000310700000000 ] - [ -0.0020380600000000, -0.0002231400000000, 0.0030721200000000 ] - [ 0.0005578600000000, 0.0001397800000000, -0.0003574100000000 ] - [ -0.0013742400000000, -0.0000964800000000, -0.0029159700000000 ] - [ -0.0000083700000000, 0.0002732100000000, 0.0001468600000000 ] - [ -0.0002541700000000, -0.0001481800000000, 0.0001225700000000 ] - [ -0.0002289200000000, 0.0000220100000000, 0.0001445500000000 ] - [ 0.0002276100000000, -0.0003841400000000, 0.0000929000000000 ] - [ 0.0002132900000000, -0.0000646200000000, 0.0000983600000000 ] - [ 0.0001627600000000, -0.0003114900000000, -0.0002584800000000 ] - [ -0.0000604200000000, -0.0002665400000000, -0.0001489600000000 ] - [ -0.0001148300000000, -0.0000856700000000, -0.0002450400000000 ] - [ 0.0013965200000000, -0.0002166100000000, -0.0000005200000000 ] - [ -0.0001349100000000, 0.0001411400000000, -0.0000639500000000 ] - [ 0.0001766800000000, 0.0000687600000000, -0.0002115700000000 ] - [ -0.0004574900000000, 0.0002423700000000, 0.0002472800000000 ] - [ 0.0001589300000000, -0.0000814200000000, 0.0001430800000000 ] - [ 0.0058155600000000, -0.0005762500000000, 0.0004454400000000 ] - [ 0.0003661400000000, 0.0005280800000000, -0.0005039700000000 ] - [ -0.0013073400000000, -0.0010876400000000, 0.0004764500000000 ] - [ 0.0002437700000000, -0.0002542900000000, -0.0001027300000000 ] - [ -0.0004553400000000, 0.0001888500000000, 0.0000401000000000 ] - [ 0.0008455900000000, -0.0007063200000000, -0.0001870800000000 ] - [ -0.0001693500000000, -0.0015775600000000, -0.0000357100000000 ] - [ -0.0003318500000000, 0.0004338500000000, 0.0012235200000000 ] - [ 0.0003089300000000, -0.0004288300000000, 0.0000032600000000 ] - [ 0.0005240400000000, 0.0002347100000000, 0.0001478500000000 ]- atom: 2 displacement: [ -0.0099999639143206, 0.0000000000000000, 0.0000268647033593 ] forces: - [ 0.0001092600000000, -0.0001222000000000, 0.0001302000000000 ] - [ 0.0368931900000000, 0.0077540600000000, -0.0032990100000000 ] - [ 0.0003093200000000, -0.0003127800000000, -0.0000795800000000 ] - [ 0.0000060900000000, -0.0003665900000000, 0.0001457500000000 ] - [ -0.0003655100000000, -0.0003170100000000, -0.0000745200000000 ] - [ -0.0004680100000000, 0.0008834800000000, 0.0005823300000000 ] - [ 0.0008442900000000, 0.0002160100000000, -0.0003758300000000 ] - [ 0.0004411200000000, 0.0001503400000000, 0.0001154900000000 ] - [ 0.0000128800000000, -0.0000726800000000, -0.0000712100000000 ] - [ -0.0000673800000000, 0.0001183500000000, -0.0001607500000000 ] - [ 0.0000352500000000, 0.0003206800000000, 0.0000981600000000 ] - [ 0.0000504500000000, -0.0003411300000000, 0.0000974800000000 ] - [ 0.0003416900000000, 0.0011521400000000, 0.0003385100000000 ] - [ 0.0000332000000000, 0.0001049400000000, -0.0000639900000000 ] - [ -0.0018563100000000, 0.0000107100000000, 0.0000821700000000 ] - [ -0.0003812800000000, -0.0002092700000000, -0.0001569600000000 ] - [ -0.0000507000000000, -0.0002115500000000, 0.0001354200000000 ] - [ -0.0004331000000000, -0.0000584800000000, -0.0002404500000000 ] - [ -0.0012543400000000, 0.0000853200000000, 0.0000764000000000 ] - [ 0.0000920100000000, 0.0001941700000000, 0.0000080800000000 ] - [ 0.0003235300000000, 0.0000201700000000, -0.0000278100000000 ] - [ -0.0018124500000000, -0.0018561400000000, -0.0021054600000000 ] - [ -0.0003591300000000, -0.0000134900000000, 0.0000790900000000 ] - [ 0.0001336800000000, 0.0000589600000000, 0.0001081300000000 ] - [ 0.0004782300000000, -0.0001254000000000, 0.0005044200000000 ] - [ -0.0001687400000000, -0.0002120800000000, 0.0001941000000000 ] - [ -0.0000173100000000, -0.0007128000000000, 0.0002677000000000 ] - [ -0.0007468200000000, -0.0001692400000000, -0.0006763200000000 ] - [ -0.0078796800000000, 0.0028975000000000, 0.0087044200000000 ] - [ 0.0000698000000000, 0.0000709500000000, -0.0004623400000000 ] - [ 0.0000774400000000, 0.0001646400000000, -0.0021491000000000 ] - [ 0.0003796600000000, 0.0001670800000000, 0.0027670500000000 ] - [ -0.0002512600000000, 0.0012519700000000, 0.0008530200000000 ] - [ -0.0065152300000000, -0.0011989400000000, -0.0057654000000000 ] - [ 0.0003139100000000, -0.0004992000000000, -0.0002214600000000 ] - [ -0.0004224500000000, -0.0001930400000000, -0.0005587800000000 ] - [ 0.0002847200000000, -0.0004139400000000, 0.0002318400000000 ] - [ 0.0002373200000000, -0.0006130400000000, -0.0003304600000000 ] - [ 0.0005061600000000, -0.0003445000000000, -0.0004692100000000 ] - [ 0.0042200600000000, -0.0004649200000000, 0.0011058900000000 ] - [ -0.0000336900000000, 0.0001391000000000, 0.0000199300000000 ] - [ 0.0002375900000000, 0.0000696100000000, 0.0004455000000000 ] - [ 0.0048749800000000, 0.0003725800000000, -0.0001933800000000 ] - [ -0.0012385500000000, -0.0041229400000000, -0.0006913300000000 ] - [ -0.0001913500000000, -0.0001199100000000, 0.0000795500000000 ] - [ 0.0002763000000000, 0.0011764500000000, 0.0000781800000000 ] - [ -0.0000014400000000, 0.0001425200000000, 0.0000872400000000 ] - [ -0.0015877900000000, -0.0003267300000000, 0.0004146400000000 ] - [ -0.0002115900000000, -0.0000676500000000, -0.0000325200000000 ] - [ -0.0001425100000000, 0.0004629300000000, -0.0000460200000000 ] - [ 0.0001501600000000, -0.0000147500000000, -0.0003432600000000 ] - [ -0.0000826300000000, -0.0000050100000000, 0.0002316800000000 ] - [ 0.0002403200000000, 0.0003959600000000, -0.0000691200000000 ] - [ -0.0002609200000000, -0.0001750000000000, 0.0003608400000000 ] - [ -0.0026054200000000, 0.0028594900000000, -0.0003622200000000 ] - [ 0.0009324400000000, -0.0007006900000000, -0.0000723700000000 ] - [ -0.0021533900000000, -0.0021034300000000, 0.0006691700000000 ] - [ 0.0066154600000000, -0.0016406000000000, -0.0012598900000000 ] - [ -0.0000778400000000, -0.0000535400000000, -0.0000950500000000 ] - [ -0.0000393900000000, -0.0003372200000000, 0.0001092200000000 ] - [ -0.0001475200000000, 0.0000677200000000, -0.0003365700000000 ] - [ -0.0051325800000000, 0.0035697100000000, -0.0069434600000000 ] - [ -0.0000984500000000, -0.0000728700000000, 0.0001204900000000 ] - [ -0.0000485200000000, -0.0003881300000000, 0.0000944500000000 ] - [ -0.0007526300000000, -0.0003787800000000, -0.0001461300000000 ] - [ 0.0001545000000000, -0.0001645000000000, -0.0000190100000000 ] - [ 0.0004441400000000, -0.0006029200000000, -0.0002867400000000 ] - [ 0.0001328300000000, 0.0003408800000000, -0.0001877500000000 ] - [ -0.0079321000000000, -0.0040744100000000, 0.0053603500000000 ] - [ 0.0002105600000000, 0.0002234900000000, -0.0001270300000000 ] - [ -0.0009418600000000, -0.0002887700000000, 0.0002509600000000 ] - [ -0.0005319300000000, 0.0003446200000000, 0.0000388000000000 ] - [ -0.0001008700000000, -0.0002864000000000, 0.0001822900000000 ] - [ -0.0003000500000000, -0.0002151000000000, -0.0006961000000000 ] - [ 0.0000050000000000, 0.0000519500000000, -0.0004327600000000 ] - [ 0.0001312400000000, -0.0002668800000000, 0.0009732500000000 ] - [ -0.0014682100000000, 0.0001388200000000, -0.0001876400000000 ] - [ 0.0015072600000000, -0.0001299600000000, -0.0001400700000000 ] - [ -0.0002005900000000, -0.0002552000000000, 0.0000681900000000 ] - [ -0.0001491300000000, 0.0001839900000000, -0.0000250400000000 ] - [ 0.0008176500000000, 0.0004764500000000, 0.0003348900000000 ] - [ -0.0000558100000000, -0.0000218400000000, 0.0005184600000000 ] - [ -0.0005280000000000, -0.0002249100000000, 0.0001685200000000 ] - [ 0.0003255000000000, 0.0002045500000000, -0.0004462000000000 ] - [ 0.0000186200000000, 0.0000523100000000, 0.0003554500000000 ] - [ 0.0003772000000000, 0.0000601200000000, 0.0002071800000000 ] - [ 0.0000555700000000, 0.0001014800000000, 0.0002214800000000 ] - [ -0.0009318700000000, 0.0009450800000000, -0.0005468600000000 ] - [ -0.0000148100000000, 0.0002288400000000, 0.0017500300000000 ] - [ 0.0021923900000000, -0.0012306200000000, 0.0002347000000000 ] - [ 0.0001357600000000, 0.0000513600000000, 0.0001827400000000 ] - [ -0.0009643200000000, 0.0004360000000000, -0.0002799100000000 ] - [ 0.0002126000000000, 0.0002127200000000, 0.0004948300000000 ] - [ 0.0003062000000000, -0.0000493600000000, 0.0002714500000000 ] - [ -0.0000824400000000, -0.0006113400000000, 0.0001437000000000 ] - [ 0.0001609400000000, -0.0003269500000000, 0.0000180300000000 ] - [ 0.0001132300000000, 0.0004129500000000, 0.0001022000000000 ] - [ -0.0000326700000000, -0.0000353900000000, -0.0007317800000000 ] - [ 0.0004211800000000, 0.0001721400000000, 0.0002629000000000 ] - [ -0.0003837000000000, 0.0003920900000000, -0.0000539900000000 ] - [ 0.0000694300000000, 0.0000213600000000, -0.0003717000000000 ] - [ -0.0006730200000000, 0.0004267500000000, 0.0001050500000000 ] - [ 0.0003036800000000, -0.0000068500000000, 0.0003294500000000 ] - [ -0.0000707700000000, -0.0007431700000000, 0.0001669000000000 ] - [ 0.0000853400000000, -0.0003406300000000, -0.0001646500000000 ] - [ -0.0001610200000000, 0.0000788100000000, 0.0001477600000000 ] - [ 0.0004837900000000, 0.0003336300000000, -0.0000547100000000 ] - [ 0.0005576100000000, 0.0001573700000000, -0.0002938400000000 ] - [ 0.0003518500000000, -0.0000256800000000, -0.0002126700000000 ] - [ -0.0023952300000000, -0.0009589400000000, 0.0001261300000000 ] - [ -0.0002411700000000, -0.0001609400000000, -0.0004835500000000 ] - [ -0.0063405500000000, -0.0041986900000000, 0.0030845700000000 ] - [ 0.0000950700000000, 0.0002663800000000, -0.0001909500000000 ] - [ -0.0000809600000000, -0.0002211400000000, 0.0003232300000000 ] - [ -0.0002288800000000, -0.0002320400000000, 0.0004570500000000 ] - [ -0.0021657200000000, -0.0022406300000000, 0.0029066300000000 ] - [ 0.0001464600000000, 0.0000008100000000, 0.0000439100000000 ] - [ 0.0002152200000000, 0.0005940200000000, 0.0003935200000000 ] - [ -0.0020676200000000, -0.0008531900000000, -0.0002987200000000 ] - [ 0.0001670200000000, 0.0000055400000000, 0.0001606700000000 ] - [ -0.0003054000000000, 0.0004073400000000, -0.0000268700000000 ] - [ 0.0011021700000000, 0.0000240500000000, 0.0006132800000000 ] - [ -0.0011552200000000, -0.0001484100000000, -0.0002977700000000 ] - [ -0.0007639400000000, 0.0002266600000000, 0.0009006600000000 ] - [ -0.0034212900000000, -0.0023539500000000, -0.0011827600000000 ] - [ -0.0001204900000000, 0.0000061600000000, -0.0001659300000000 ] - [ 0.0003605100000000, -0.0000415600000000, -0.0005174000000000 ] - [ -0.0006392600000000, -0.0000223200000000, -0.0002878700000000 ] - [ 0.0005617800000000, 0.0000187300000000, -0.0000054200000000 ] - [ 0.0006739200000000, 0.0000726000000000, 0.0001392100000000 ] - [ -0.0000812200000000, -0.0000279800000000, 0.0008387000000000 ] - [ 0.0006157500000000, 0.0005471800000000, -0.0000732400000000 ] - [ 0.0000284100000000, -0.0000420100000000, -0.0000490900000000 ] - [ -0.0001380800000000, 0.0005986100000000, -0.0001491100000000 ] - [ -0.0007074100000000, 0.0003057500000000, -0.0001598500000000 ] - [ 0.0001419300000000, 0.0005682700000000, -0.0001973100000000 ] - [ -0.0021509200000000, 0.0015545300000000, 0.0012720900000000 ] - [ 0.0002017900000000, 0.0000061100000000, -0.0001956100000000 ] - [ 0.0025508000000000, 0.0003681000000000, -0.0002492800000000 ] - [ -0.0005617300000000, -0.0000406200000000, -0.0000672700000000 ] - [ -0.0011841900000000, 0.0008116400000000, -0.0010268500000000 ] - [ -0.0002934200000000, 0.0000165700000000, -0.0001472400000000 ] - [ -0.0002347300000000, -0.0020529800000000, -0.0005082900000000 ] - [ -0.0004119100000000, 0.0001372900000000, 0.0001503800000000 ] - [ -0.0000194300000000, 0.0005917000000000, 0.0001895300000000 ] - [ 0.0008216900000000, 0.0000336700000000, -0.0002051800000000 ] - [ -0.0001126700000000, -0.0000516900000000, 0.0001823800000000 ] - [ 0.0005474600000000, -0.0006766100000000, -0.0002609300000000 ] - [ -0.0002219700000000, -0.0003901300000000, -0.0000125400000000 ] - [ 0.0032206000000000, 0.0019090000000000, 0.0003185300000000 ] - [ 0.0022778900000000, 0.0000767000000000, -0.0035373900000000 ] - [ -0.0003249500000000, 0.0000096000000000, -0.0000821700000000 ] - [ 0.0018522700000000, -0.0003957100000000, 0.0020677300000000 ] - [ 0.0004119200000000, 0.0006028700000000, -0.0000959300000000 ] - [ -0.0002025700000000, 0.0000646200000000, 0.0001219700000000 ] - [ -0.0000604400000000, 0.0001997800000000, 0.0001889400000000 ] - [ 0.0000674300000000, -0.0003682500000000, 0.0001500200000000 ] - [ 0.0002568100000000, -0.0000059900000000, 0.0000944700000000 ] - [ 0.0001644800000000, -0.0002351700000000, -0.0003302800000000 ] - [ 0.0003517200000000, 0.0000442000000000, -0.0001847900000000 ] - [ 0.0002482700000000, 0.0000689200000000, -0.0006098900000000 ] - [ -0.0015480500000000, 0.0014034000000000, 0.0003336300000000 ] - [ -0.0000655800000000, 0.0001874100000000, -0.0000565800000000 ] - [ 0.0002065700000000, 0.0000086300000000, -0.0001689900000000 ] - [ -0.0000002500000000, -0.0001566300000000, -0.0000023200000000 ] - [ -0.0003913300000000, 0.0002314200000000, 0.0002914500000000 ] - [ -0.0054850400000000, 0.0004485400000000, 0.0004451100000000 ] - [ -0.0000753300000000, -0.0003052000000000, 0.0001696800000000 ] - [ 0.0015151900000000, 0.0007516700000000, -0.0003503500000000 ] - [ 0.0006934800000000, -0.0003128500000000, -0.0000256400000000 ] - [ -0.0004809700000000, 0.0003783000000000, 0.0000893200000000 ] - [ -0.0002889600000000, 0.0005234000000000, -0.0002722600000000 ] - [ -0.0001409100000000, 0.0016765500000000, -0.0002989200000000 ] - [ -0.0002427200000000, -0.0004603300000000, -0.0018047400000000 ] - [ 0.0000938300000000, -0.0004452800000000, 0.0000475000000000 ] - [ 0.0000445800000000, -0.0000362600000000, -0.0006086500000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001093600000000, 0.0002047000000000, 0.0001176100000000 ] - [ -0.0072801900000000, -0.0389946100000000, 0.0071054900000000 ] - [ 0.0008152500000000, 0.0008131200000000, -0.0001805200000000 ] - [ 0.0000266000000000, 0.0000845500000000, 0.0001132100000000 ] - [ -0.0000278400000000, -0.0008376300000000, -0.0002675500000000 ] - [ -0.0009824500000000, -0.0001878200000000, 0.0007562900000000 ] - [ -0.0001918300000000, -0.0013952500000000, -0.0001571000000000 ] - [ 0.0004428800000000, 0.0003802100000000, 0.0001364900000000 ] - [ 0.0000486800000000, 0.0002996100000000, -0.0000382300000000 ] - [ -0.0000869300000000, -0.0003411200000000, -0.0000954000000000 ] - [ 0.0000658900000000, 0.0006413800000000, 0.0001803800000000 ] - [ 0.0001793600000000, 0.0002563800000000, -0.0001341900000000 ] - [ -0.0007659300000000, 0.0012515300000000, 0.0002257500000000 ] - [ -0.0000661300000000, 0.0005435800000000, -0.0001363200000000 ] - [ 0.0000277300000000, -0.0010025700000000, 0.0002235700000000 ] - [ -0.0000723300000000, 0.0001374600000000, 0.0004365600000000 ] - [ -0.0000512500000000, -0.0005218600000000, -0.0001650100000000 ] - [ -0.0005371400000000, 0.0000957700000000, -0.0003502000000000 ] - [ -0.0003475900000000, 0.0001359200000000, -0.0003498100000000 ] - [ 0.0000335300000000, 0.0006773900000000, 0.0000576600000000 ] - [ 0.0003026700000000, -0.0001253300000000, -0.0001766700000000 ] - [ 0.0025999400000000, 0.0002102500000000, 0.0016690500000000 ] - [ -0.0003505300000000, 0.0002458800000000, 0.0001775300000000 ] - [ 0.0000683500000000, 0.0007342300000000, 0.0000526900000000 ] - [ 0.0002664100000000, 0.0009081800000000, -0.0000243200000000 ] - [ -0.0000263100000000, 0.0005566400000000, -0.0000369400000000 ] - [ -0.0003004600000000, 0.0015562400000000, 0.0015023300000000 ] - [ -0.0000220600000000, -0.0009655100000000, -0.0000801300000000 ] - [ -0.0017345200000000, -0.0050073200000000, 0.0020885400000000 ] - [ 0.0001576400000000, 0.0010860400000000, -0.0003125000000000 ] - [ -0.0002722100000000, -0.0016149600000000, -0.0012644700000000 ] - [ 0.0000884600000000, -0.0013875600000000, -0.0007692300000000 ] - [ -0.0013723100000000, 0.0011717300000000, 0.0016779500000000 ] - [ 0.0006096300000000, -0.0050457000000000, 0.0005902100000000 ] - [ -0.0001721700000000, 0.0021444500000000, 0.0007032000000000 ] - [ 0.0001878400000000, 0.0006316200000000, -0.0001212400000000 ] - [ 0.0005236600000000, 0.0011607800000000, -0.0007300300000000 ] - [ 0.0002545200000000, -0.0009255300000000, -0.0002151100000000 ] - [ -0.0000834900000000, -0.0009364300000000, 0.0018162700000000 ] - [ 0.0006621900000000, 0.0029716800000000, -0.0051274800000000 ] - [ -0.0001149900000000, 0.0011106000000000, 0.0000187700000000 ] - [ 0.0002841200000000, 0.0015577000000000, 0.0003481400000000 ] - [ -0.0008451100000000, 0.0073681600000000, -0.0092878000000000 ] - [ 0.0034662800000000, 0.0036004600000000, 0.0006446900000000 ] - [ -0.0002825000000000, 0.0005440400000000, -0.0000731700000000 ] - [ -0.0011640800000000, 0.0022301300000000, -0.0004372600000000 ] - [ 0.0000276200000000, 0.0016602200000000, 0.0000099000000000 ] - [ 0.0001386800000000, 0.0001490200000000, 0.0000031800000000 ] - [ -0.0003798500000000, 0.0007238600000000, -0.0000771200000000 ] - [ -0.0003665600000000, 0.0006286200000000, -0.0000113700000000 ] - [ 0.0008755600000000, 0.0005924300000000, -0.0004898500000000 ] - [ 0.0001779800000000, -0.0001366200000000, 0.0000623900000000 ] - [ -0.0001765700000000, 0.0007153500000000, 0.0001076200000000 ] - [ 0.0000761600000000, 0.0006621400000000, -0.0000893200000000 ] - [ -0.0027432400000000, 0.0007192500000000, -0.0004210000000000 ] - [ -0.0006122900000000, 0.0005586500000000, -0.0001755500000000 ] - [ 0.0026483200000000, 0.0011314800000000, -0.0008982300000000 ] - [ 0.0009557400000000, 0.0053805700000000, 0.0059983800000000 ] - [ 0.0002818800000000, 0.0004389100000000, 0.0000008800000000 ] - [ -0.0000215100000000, 0.0003774300000000, 0.0001159600000000 ] - [ -0.0003621000000000, 0.0002807100000000, -0.0002053300000000 ] - [ -0.0050240600000000, -0.0018380800000000, -0.0002863100000000 ] - [ 0.0001280800000000, 0.0014533100000000, 0.0001107200000000 ] - [ -0.0001937200000000, 0.0008903400000000, 0.0004168600000000 ] - [ 0.0002012600000000, 0.0002900800000000, -0.0006979300000000 ] - [ -0.0002792200000000, 0.0007451300000000, 0.0000637700000000 ] - [ -0.0013263800000000, 0.0072333700000000, 0.0041116800000000 ] - [ 0.0003724600000000, 0.0008127000000000, -0.0004874000000000 ] - [ 0.0063706000000000, -0.0030915600000000, -0.0022226000000000 ] - [ 0.0003880700000000, 0.0005304800000000, 0.0001292200000000 ] - [ -0.0002562900000000, -0.0002421200000000, 0.0008739600000000 ] - [ 0.0002038800000000, -0.0006242000000000, -0.0000060000000000 ] - [ -0.0000393700000000, 0.0001841000000000, -0.0005289400000000 ] - [ 0.0000245700000000, -0.0002461400000000, 0.0001890400000000 ] - [ 0.0000558200000000, 0.0001649500000000, -0.0001940800000000 ] - [ -0.0002941000000000, -0.0007615500000000, 0.0003834500000000 ] - [ 0.0000769000000000, -0.0010335300000000, 0.0000011500000000 ] - [ -0.0002199000000000, -0.0026743000000000, 0.0001505100000000 ] - [ 0.0000550700000000, 0.0005920000000000, 0.0000897600000000 ] - [ -0.0000338600000000, 0.0011609200000000, 0.0000219700000000 ] - [ 0.0002823800000000, 0.0011994000000000, 0.0000973700000000 ] - [ -0.0000233100000000, 0.0001231200000000, 0.0003123500000000 ] - [ -0.0003979400000000, -0.0004472100000000, -0.0002742600000000 ] - [ -0.0001947500000000, 0.0012623000000000, -0.0001233900000000 ] - [ -0.0000036300000000, -0.0010608000000000, -0.0000058900000000 ] - [ 0.0002382300000000, -0.0002095900000000, -0.0000028400000000 ] - [ 0.0000424500000000, 0.0003321200000000, -0.0001483000000000 ] - [ -0.0000992600000000, -0.0012668600000000, 0.0002971700000000 ] - [ -0.0003378400000000, 0.0007369700000000, 0.0001743700000000 ] - [ 0.0019182300000000, 0.0004963800000000, -0.0000322100000000 ] - [ 0.0002304700000000, -0.0000652000000000, 0.0006060300000000 ] - [ -0.0000389600000000, 0.0018958500000000, -0.0002502900000000 ] - [ -0.0001846100000000, -0.0002171400000000, 0.0004105100000000 ] - [ 0.0004501500000000, -0.0007032400000000, 0.0003594200000000 ] - [ 0.0000285600000000, -0.0011108600000000, 0.0001158400000000 ] - [ -0.0001837100000000, -0.0006260500000000, -0.0004813000000000 ] - [ 0.0000773200000000, -0.0004176800000000, 0.0001403500000000 ] - [ -0.0003298400000000, -0.0003951700000000, 0.0006062300000000 ] - [ -0.0003982100000000, 0.0002791300000000, -0.0003514000000000 ] - [ 0.0002554300000000, 0.0002423700000000, -0.0005108500000000 ] - [ 0.0000980900000000, -0.0003274700000000, -0.0004417400000000 ] - [ -0.0004593600000000, -0.0016797700000000, -0.0039329800000000 ] - [ 0.0001636500000000, -0.0001768000000000, 0.0000563000000000 ] - [ 0.0000177100000000, -0.0009232100000000, 0.0002417700000000 ] - [ -0.0000274800000000, -0.0015766400000000, -0.0002168600000000 ] - [ 0.0000693300000000, -0.0002863600000000, 0.0000816800000000 ] - [ -0.0006817500000000, 0.0000908000000000, -0.0002118300000000 ] - [ 0.0002591200000000, 0.0003588600000000, -0.0001311300000000 ] - [ -0.0000103000000000, -0.0001581800000000, 0.0001450800000000 ] - [ 0.0017621000000000, 0.0098592500000000, 0.0008684100000000 ] - [ -0.0000963000000000, 0.0003949100000000, 0.0001862700000000 ] - [ 0.0035021700000000, 0.0066915000000000, -0.0032584500000000 ] - [ 0.0001016100000000, -0.0001520900000000, -0.0005036200000000 ] - [ 0.0003806700000000, -0.0008390000000000, 0.0001370100000000 ] - [ -0.0001711300000000, -0.0005530200000000, 0.0004212500000000 ] - [ 0.0027044600000000, 0.0009399400000000, 0.0020079200000000 ] - [ 0.0001779400000000, -0.0002505100000000, 0.0004203300000000 ] - [ -0.0002603200000000, -0.0012093100000000, -0.0001085200000000 ] - [ 0.0010755500000000, 0.0025675300000000, 0.0001303400000000 ] - [ 0.0002210600000000, -0.0007068300000000, 0.0001939500000000 ] - [ -0.0002526000000000, -0.0002505500000000, -0.0000186200000000 ] - [ -0.0007166900000000, 0.0000761500000000, -0.0001264400000000 ] - [ -0.0000960000000000, 0.0016981700000000, 0.0007040300000000 ] - [ 0.0000866000000000, 0.0016925600000000, -0.0005172800000000 ] - [ 0.0018932200000000, -0.0005498600000000, -0.0028504700000000 ] - [ -0.0002111900000000, -0.0005452200000000, -0.0000595900000000 ] - [ -0.0001479800000000, 0.0006713200000000, -0.0002906400000000 ] - [ 0.0001509800000000, -0.0007204900000000, 0.0003306000000000 ] - [ 0.0006266500000000, 0.0000226700000000, -0.0000712400000000 ] - [ 0.0006666100000000, 0.0002605800000000, 0.0000837000000000 ] - [ -0.0003637600000000, 0.0003092900000000, 0.0001274500000000 ] - [ -0.0008607700000000, -0.0006214900000000, 0.0003138300000000 ] - [ -0.0002280100000000, -0.0010305200000000, -0.0000760900000000 ] - [ 0.0000103700000000, -0.0011165100000000, 0.0002099600000000 ] - [ -0.0005859900000000, -0.0003284100000000, 0.0002973900000000 ] - [ 0.0001687200000000, -0.0000922100000000, -0.0001319400000000 ] - [ -0.0013735700000000, 0.0015777200000000, -0.0011950700000000 ] - [ 0.0000556000000000, -0.0005741400000000, 0.0000152600000000 ] - [ 0.0002263600000000, 0.0012833900000000, -0.0004178400000000 ] - [ -0.0009199200000000, -0.0009250600000000, -0.0000973300000000 ] - [ -0.0019255000000000, 0.0014754900000000, 0.0015102800000000 ] - [ -0.0003876100000000, -0.0004950000000000, 0.0000146400000000 ] - [ 0.0011098300000000, -0.0006535300000000, -0.0000158900000000 ] - [ 0.0002738200000000, -0.0007692400000000, 0.0000671100000000 ] - [ -0.0001064800000000, -0.0001298700000000, 0.0001962500000000 ] - [ 0.0005436100000000, -0.0000973400000000, -0.0003900000000000 ] - [ -0.0001882700000000, -0.0005177200000000, 0.0003890600000000 ] - [ -0.0001549400000000, -0.0000305400000000, -0.0001155100000000 ] - [ -0.0001197700000000, -0.0010998400000000, -0.0000462600000000 ] - [ -0.0021515600000000, 0.0011947100000000, -0.0008879100000000 ] - [ -0.0007712900000000, 0.0028246600000000, 0.0012767000000000 ] - [ 0.0001783700000000, 0.0000724500000000, 0.0015060100000000 ] - [ 0.0016480600000000, 0.0011470200000000, 0.0004107700000000 ] - [ -0.0001068900000000, 0.0001959400000000, 0.0001566200000000 ] - [ -0.0008293300000000, -0.0009253100000000, 0.0002028100000000 ] - [ -0.0003142200000000, -0.0001672400000000, 0.0001200100000000 ] - [ 0.0003900800000000, -0.0013823800000000, 0.0001092000000000 ] - [ 0.0000436700000000, -0.0004165300000000, -0.0000317500000000 ] - [ 0.0003093700000000, -0.0009812500000000, -0.0005474300000000 ] - [ -0.0000790100000000, -0.0006907700000000, -0.0000734600000000 ] - [ -0.0000069500000000, -0.0003389500000000, -0.0000072200000000 ] - [ -0.0004732700000000, -0.0019885300000000, -0.0009923400000000 ] - [ -0.0001481400000000, -0.0004474100000000, -0.0000600400000000 ] - [ 0.0002414900000000, -0.0002441300000000, -0.0002623400000000 ] - [ 0.0001679400000000, -0.0002411900000000, -0.0001344300000000 ] - [ 0.0000814700000000, -0.0008133300000000, 0.0000103900000000 ] - [ -0.0009047600000000, 0.0032736100000000, -0.0011903400000000 ] - [ 0.0005384100000000, -0.0001685900000000, 0.0004876300000000 ] - [ -0.0013487600000000, 0.0008319300000000, 0.0000819000000000 ] - [ 0.0007283500000000, -0.0008751100000000, 0.0001165400000000 ] - [ -0.0007602200000000, -0.0000477600000000, -0.0002605200000000 ] - [ 0.0017285800000000, -0.0032687200000000, -0.0006917400000000 ] - [ -0.0012171000000000, -0.0005676700000000, 0.0006043800000000 ] - [ -0.0000085000000000, 0.0006766400000000, -0.0007121500000000 ] - [ 0.0005150900000000, -0.0012216500000000, 0.0001329300000000 ] - [ 0.0004175000000000, 0.0004891600000000, -0.0003887000000000 ]- atom: 2 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000804500000000, -0.0004171500000000, 0.0000665300000000 ] - [ 0.0073172500000000, 0.0389004700000000, -0.0071889500000000 ] - [ -0.0001968400000000, -0.0008195300000000, 0.0000333300000000 ] - [ 0.0000656100000000, -0.0007478300000000, 0.0001662200000000 ] - [ -0.0000650900000000, 0.0001721500000000, -0.0000114200000000 ] - [ 0.0007872200000000, -0.0000286600000000, -0.0009361100000000 ] - [ 0.0000034000000000, 0.0016063800000000, -0.0000164700000000 ] - [ 0.0004241600000000, -0.0000444100000000, 0.0000812700000000 ] - [ 0.0000097600000000, -0.0004024000000000, -0.0000755400000000 ] - [ 0.0000281500000000, 0.0004428300000000, 0.0002087000000000 ] - [ 0.0000258700000000, 0.0000238300000000, 0.0000988200000000 ] - [ -0.0000524000000000, -0.0006933600000000, 0.0001914700000000 ] - [ 0.0016445700000000, -0.0015947300000000, -0.0000094500000000 ] - [ 0.0001248400000000, -0.0004389900000000, 0.0000233000000000 ] - [ -0.0000869000000000, 0.0008938400000000, -0.0001105900000000 ] - [ -0.0005438400000000, -0.0001450700000000, -0.0002908100000000 ] - [ -0.0000759300000000, 0.0000816700000000, 0.0001083200000000 ] - [ -0.0003306900000000, -0.0004319800000000, 0.0001320700000000 ] - [ -0.0005186200000000, 0.0002022000000000, 0.0001313000000000 ] - [ 0.0000937600000000, -0.0002387500000000, -0.0000010900000000 ] - [ 0.0003132600000000, 0.0001359700000000, 0.0000303700000000 ] - [ -0.0026787800000000, 0.0004424400000000, -0.0019395600000000 ] - [ -0.0002656800000000, -0.0002357800000000, -0.0000313200000000 ] - [ 0.0001214100000000, -0.0005198500000000, 0.0001315300000000 ] - [ 0.0002580700000000, -0.0012246800000000, 0.0009459000000000 ] - [ 0.0000952000000000, -0.0010259400000000, 0.0003258800000000 ] - [ -0.0000728700000000, -0.0025723300000000, -0.0008325100000000 ] - [ -0.0005012300000000, 0.0006403400000000, -0.0008377600000000 ] - [ 0.0016269600000000, 0.0054923000000000, -0.0023369600000000 ] - [ 0.0000289400000000, -0.0007702200000000, -0.0005587600000000 ] - [ 0.0000848800000000, 0.0019276200000000, 0.0021297000000000 ] - [ 0.0000294600000000, 0.0017598100000000, 0.0008497600000000 ] - [ 0.0009995200000000, -0.0001393800000000, -0.0010139100000000 ] - [ -0.0011125500000000, 0.0053646700000000, -0.0014936800000000 ] - [ 0.0000558500000000, -0.0025242300000000, -0.0007949800000000 ] - [ -0.0000025300000000, -0.0009389900000000, -0.0007508100000000 ] - [ -0.0001232700000000, -0.0009771400000000, 0.0006416200000000 ] - [ 0.0001164400000000, -0.0000968800000000, -0.0004485700000000 ] - [ 0.0000129900000000, 0.0004547100000000, -0.0020916200000000 ] - [ -0.0002675900000000, -0.0031607800000000, 0.0050742800000000 ] - [ -0.0000026600000000, -0.0007342700000000, -0.0001058600000000 ] - [ 0.0002406500000000, -0.0012361900000000, 0.0005712300000000 ] - [ 0.0009548800000000, -0.0076764700000000, 0.0092626500000000 ] - [ -0.0038994900000000, -0.0034245300000000, -0.0005608800000000 ] - [ -0.0001149600000000, -0.0007281000000000, 0.0001596200000000 ] - [ 0.0015281800000000, -0.0011998700000000, -0.0002269900000000 ] - [ 0.0000404800000000, -0.0011850000000000, 0.0002781400000000 ] - [ -0.0003247300000000, -0.0004679600000000, 0.0008660300000000 ] - [ 0.0000644100000000, -0.0011982300000000, 0.0000231400000000 ] - [ 0.0004371600000000, -0.0002294600000000, 0.0001799800000000 ] - [ -0.0004214600000000, -0.0005209900000000, -0.0002035300000000 ] - [ 0.0001167500000000, 0.0000024700000000, 0.0004812900000000 ] - [ 0.0005941100000000, -0.0000534500000000, -0.0003459900000000 ] - [ -0.0004967000000000, 0.0000037800000000, 0.0003274700000000 ] - [ 0.0030521700000000, -0.0012125300000000, 0.0004621700000000 ] - [ 0.0009142300000000, -0.0013403200000000, -0.0002763500000000 ] - [ -0.0026160900000000, -0.0005336100000000, 0.0006724900000000 ] - [ -0.0005541300000000, -0.0060765200000000, -0.0063554200000000 ] - [ -0.0003513100000000, -0.0000433100000000, -0.0001686500000000 ] - [ -0.0000102900000000, -0.0009884900000000, 0.0001002700000000 ] - [ 0.0000676800000000, -0.0001470900000000, -0.0003383300000000 ] - [ 0.0053156800000000, 0.0019966500000000, 0.0008008700000000 ] - [ -0.0001622600000000, -0.0008393100000000, 0.0001057500000000 ] - [ -0.0002266100000000, -0.0015483100000000, -0.0001766400000000 ] - [ -0.0004924300000000, -0.0004209400000000, 0.0001536600000000 ] - [ 0.0005309500000000, -0.0010016600000000, -0.0002049400000000 ] - [ 0.0010854100000000, -0.0068943800000000, -0.0039665300000000 ] - [ -0.0000717400000000, -0.0000311900000000, 0.0000308700000000 ] - [ -0.0066624900000000, 0.0038863100000000, 0.0026774000000000 ] - [ -0.0001334700000000, -0.0002677700000000, -0.0002729000000000 ] - [ -0.0001950400000000, 0.0001711900000000, -0.0001784700000000 ] - [ 0.0001116400000000, 0.0010976400000000, 0.0000595600000000 ] - [ -0.0002608100000000, -0.0009631900000000, 0.0009821500000000 ] - [ -0.0004751800000000, 0.0003149900000000, 0.0005047700000000 ] - [ 0.0003937200000000, -0.0002335800000000, -0.0005002800000000 ] - [ 0.0000412100000000, 0.0005021700000000, -0.0002399100000000 ] - [ -0.0001484500000000, 0.0006415300000000, -0.0001688900000000 ] - [ 0.0002537600000000, 0.0020541300000000, -0.0003731300000000 ] - [ 0.0000158500000000, -0.0009878800000000, 0.0000786900000000 ] - [ -0.0002828300000000, -0.0006823600000000, -0.0000755500000000 ] - [ 0.0001908400000000, -0.0003933600000000, -0.0000313800000000 ] - [ -0.0001077400000000, -0.0001417200000000, 0.0005153900000000 ] - [ -0.0001552000000000, 0.0002742100000000, 0.0007489200000000 ] - [ -0.0000762600000000, -0.0004800300000000, -0.0001192900000000 ] - [ 0.0000713000000000, 0.0009341400000000, 0.0006681900000000 ] - [ 0.0002496300000000, 0.0002787400000000, 0.0002199400000000 ] - [ 0.0004487600000000, -0.0004413100000000, -0.0001054400000000 ] - [ -0.0004600200000000, 0.0013554500000000, -0.0005068600000000 ] - [ -0.0000544000000000, -0.0008040900000000, 0.0002385400000000 ] - [ -0.0014468800000000, -0.0012920000000000, 0.0000988900000000 ] - [ -0.0000022100000000, 0.0002036800000000, -0.0003257400000000 ] - [ -0.0002396800000000, -0.0008019000000000, 0.0005984600000000 ] - [ -0.0003008400000000, 0.0007265900000000, 0.0004229400000000 ] - [ 0.0001200200000000, 0.0006743600000000, 0.0002114500000000 ] - [ -0.0001794000000000, -0.0000690400000000, 0.0002226300000000 ] - [ 0.0004012900000000, -0.0004992900000000, 0.0001117500000000 ] - [ 0.0001903000000000, 0.0011949200000000, 0.0001029700000000 ] - [ 0.0004821400000000, -0.0007855200000000, -0.0009420900000000 ] - [ 0.0000056300000000, -0.0002105900000000, 0.0007654800000000 ] - [ -0.0006408600000000, 0.0006239900000000, 0.0004490000000000 ] - [ 0.0000334700000000, 0.0003462500000000, -0.0003880500000000 ] - [ -0.0001135600000000, 0.0016916000000000, 0.0033387400000000 ] - [ 0.0004059200000000, 0.0002022400000000, 0.0005147200000000 ] - [ -0.0002370800000000, -0.0002078200000000, 0.0001259500000000 ] - [ 0.0003043500000000, 0.0004906200000000, -0.0001309000000000 ] - [ -0.0003059900000000, 0.0003757000000000, 0.0001126900000000 ] - [ 0.0001932500000000, -0.0000182100000000, -0.0000029000000000 ] - [ 0.0002243700000000, 0.0001525500000000, -0.0007031400000000 ] - [ 0.0002443500000000, 0.0000705300000000, -0.0003382300000000 ] - [ -0.0019706500000000, -0.0085973100000000, -0.0002266900000000 ] - [ -0.0002367400000000, -0.0009362300000000, 0.0003999700000000 ] - [ -0.0031665400000000, -0.0069835800000000, 0.0036471200000000 ] - [ 0.0002296800000000, 0.0006891700000000, -0.0000774000000000 ] - [ -0.0003146200000000, 0.0009619700000000, 0.0005289000000000 ] - [ -0.0003107500000000, 0.0000417600000000, 0.0004144900000000 ] - [ -0.0024615000000000, -0.0009012100000000, -0.0021706100000000 ] - [ 0.0003889800000000, 0.0003415300000000, -0.0002129000000000 ] - [ 0.0005879300000000, 0.0013467200000000, 0.0004411300000000 ] - [ -0.0013866800000000, -0.0032964100000000, -0.0004133700000000 ] - [ 0.0001049600000000, 0.0005638400000000, 0.0001379500000000 ] - [ -0.0002197700000000, 0.0010520000000000, -0.0000469500000000 ] - [ 0.0004427300000000, -0.0003208100000000, 0.0004585000000000 ] - [ -0.0002300900000000, -0.0018387600000000, -0.0010332600000000 ] - [ 0.0001338200000000, -0.0013530900000000, 0.0006362500000000 ] - [ -0.0022848000000000, -0.0003547600000000, 0.0027800000000000 ] - [ -0.0000199100000000, 0.0004072900000000, -0.0002219800000000 ] - [ 0.0000784100000000, -0.0007928500000000, -0.0003717300000000 ] - [ -0.0003815100000000, 0.0008569000000000, -0.0006148500000000 ] - [ 0.0003173800000000, 0.0001210900000000, 0.0001938800000000 ] - [ 0.0003004900000000, 0.0003255700000000, -0.0002148900000000 ] - [ -0.0001240300000000, -0.0003799700000000, -0.0003444900000000 ] - [ 0.0006259800000000, 0.0005307500000000, -0.0001211700000000 ] - [ 0.0000115100000000, 0.0006970300000000, -0.0000409300000000 ] - [ 0.0001408600000000, 0.0022848400000000, -0.0005474300000000 ] - [ -0.0003530200000000, 0.0004672500000000, -0.0004210500000000 ] - [ 0.0001107800000000, 0.0011773400000000, -0.0002167000000000 ] - [ 0.0022927200000000, -0.0017907100000000, 0.0012750400000000 ] - [ 0.0003366300000000, 0.0005074800000000, -0.0004328500000000 ] - [ -0.0000040300000000, -0.0001558300000000, 0.0000480500000000 ] - [ -0.0000201200000000, 0.0007834300000000, -0.0000255100000000 ] - [ 0.0016622200000000, -0.0025213300000000, -0.0011848000000000 ] - [ -0.0001790800000000, 0.0004052800000000, -0.0002215900000000 ] - [ -0.0011696900000000, 0.0007874300000000, -0.0006404000000000 ] - [ -0.0008240600000000, 0.0009381800000000, 0.0004064200000000 ] - [ -0.0001125400000000, 0.0012549400000000, 0.0001717700000000 ] - [ -0.0000514000000000, 0.0002047400000000, 0.0001367300000000 ] - [ -0.0000445900000000, 0.0003829400000000, 0.0000365800000000 ] - [ -0.0008118000000000, -0.0005619300000000, 0.0002470200000000 ] - [ -0.0003524000000000, 0.0002948600000000, -0.0000190100000000 ] - [ 0.0023806700000000, -0.0013401800000000, 0.0011665500000000 ] - [ 0.0009987100000000, -0.0029559400000000, -0.0016925200000000 ] - [ 0.0000535200000000, 0.0000624400000000, -0.0019210700000000 ] - [ -0.0011635700000000, -0.0016546200000000, -0.0012323700000000 ] - [ 0.0004939900000000, 0.0006682200000000, -0.0000972800000000 ] - [ 0.0003364500000000, 0.0008146500000000, 0.0000502900000000 ] - [ 0.0000375700000000, 0.0004067500000000, 0.0002113600000000 ] - [ -0.0001228700000000, 0.0006020600000000, 0.0001345000000000 ] - [ 0.0004454000000000, 0.0003457900000000, 0.0002499900000000 ] - [ 0.0000227600000000, 0.0004398400000000, -0.0000375700000000 ] - [ 0.0003541000000000, 0.0004512100000000, -0.0002573700000000 ] - [ 0.0001383200000000, 0.0003182300000000, -0.0008236200000000 ] - [ 0.0003293000000000, 0.0031777600000000, 0.0013565700000000 ] - [ -0.0000710700000000, 0.0007778800000000, -0.0000567500000000 ] - [ 0.0001517400000000, 0.0003078000000000, -0.0001565800000000 ] - [ -0.0006554300000000, 0.0003452300000000, 0.0003859400000000 ] - [ -0.0003146200000000, 0.0009476100000000, 0.0004140400000000 ] - [ 0.0008071300000000, -0.0032628000000000, 0.0020288800000000 ] - [ -0.0002646600000000, 0.0004055800000000, -0.0008178100000000 ] - [ 0.0015712500000000, -0.0011570000000000, 0.0000342800000000 ] - [ 0.0002378300000000, 0.0002872500000000, -0.0002479300000000 ] - [ -0.0002055800000000, 0.0006340500000000, 0.0003904700000000 ] - [ -0.0011832300000000, 0.0030839500000000, 0.0002218100000000 ] - [ 0.0008872900000000, 0.0007172200000000, -0.0009303700000000 ] - [ -0.0005626600000000, -0.0007054900000000, 0.0001343900000000 ] - [ -0.0001267300000000, 0.0003537000000000, -0.0000730100000000 ] - [ 0.0001351700000000, -0.0003175300000000, -0.0000851600000000 ]- atom: 2 displacement: [ -0.0035230240541542, 0.0000000000000000, 0.0093588621911988 ] forces: - [ 0.0000781300000000, -0.0001493700000000, 0.0002744700000000 ] - [ 0.0160581000000000, 0.0096397100000000, -0.0213452700000000 ] - [ 0.0003407000000000, -0.0001548800000000, -0.0003933200000000 ] - [ 0.0000416900000000, -0.0003892600000000, 0.0000549300000000 ] - [ -0.0002049400000000, -0.0002806300000000, 0.0003434700000000 ] - [ -0.0008576700000000, 0.0011204900000000, 0.0002054100000000 ] - [ 0.0006163700000000, 0.0003234500000000, 0.0025219600000000 ] - [ 0.0004162200000000, 0.0001776900000000, 0.0002539200000000 ] - [ 0.0000087100000000, -0.0000754100000000, 0.0000129800000000 ] - [ 0.0001184300000000, 0.0001004500000000, 0.0004907000000000 ] - [ 0.0000660600000000, 0.0003127200000000, 0.0002498300000000 ] - [ -0.0000096500000000, -0.0004131900000000, 0.0000107300000000 ] - [ 0.0003699100000000, 0.0001563800000000, -0.0006531800000000 ] - [ 0.0000789600000000, -0.0000500100000000, -0.0001448300000000 ] - [ -0.0006330800000000, 0.0002201600000000, -0.0006005100000000 ] - [ -0.0001513800000000, 0.0002123700000000, 0.0002466600000000 ] - [ -0.0002073300000000, -0.0000865500000000, 0.0004993100000000 ] - [ -0.0003594600000000, -0.0003105100000000, 0.0000215900000000 ] - [ -0.0007541100000000, -0.0001560400000000, -0.0000550000000000 ] - [ 0.0000889000000000, 0.0001815000000000, 0.0000797800000000 ] - [ 0.0002174700000000, -0.0001239200000000, 0.0004450200000000 ] - [ 0.0011268900000000, 0.0010527400000000, -0.0008304400000000 ] - [ -0.0003134300000000, 0.0000536200000000, 0.0000213700000000 ] - [ 0.0000989700000000, 0.0000391600000000, -0.0000171700000000 ] - [ 0.0003532000000000, -0.0007351700000000, 0.0009511400000000 ] - [ 0.0000480500000000, -0.0005742100000000, 0.0004309300000000 ] - [ -0.0002311800000000, -0.0001199500000000, 0.0001066600000000 ] - [ -0.0003593400000000, 0.0003873900000000, -0.0000207700000000 ] - [ -0.0096809200000000, 0.0032537000000000, 0.0029274700000000 ] - [ 0.0001467700000000, 0.0001700700000000, -0.0003090000000000 ] - [ 0.0011845600000000, -0.0002954800000000, 0.0020166500000000 ] - [ -0.0010410600000000, -0.0000343800000000, 0.0033913400000000 ] - [ -0.0012226400000000, 0.0019823300000000, 0.0017194300000000 ] - [ 0.0023507300000000, 0.0008596000000000, -0.0022106000000000 ] - [ 0.0000869300000000, 0.0004938500000000, -0.0003433200000000 ] - [ -0.0001061900000000, 0.0001290200000000, -0.0008237800000000 ] - [ 0.0000633200000000, -0.0008063600000000, 0.0005590600000000 ] - [ 0.0001775600000000, -0.0005702400000000, 0.0009098200000000 ] - [ 0.0002865300000000, 0.0014121200000000, 0.0008322900000000 ] - [ 0.0006533400000000, -0.0049692700000000, 0.0029966000000000 ] - [ -0.0001114400000000, 0.0001136300000000, 0.0000829600000000 ] - [ 0.0002009800000000, -0.0000133200000000, 0.0002968000000000 ] - [ 0.0020230400000000, -0.0073196800000000, 0.0014370500000000 ] - [ -0.0001793100000000, -0.0015655200000000, -0.0032595700000000 ] - [ -0.0001765500000000, -0.0001899500000000, 0.0005441400000000 ] - [ 0.0002524100000000, 0.0002693500000000, -0.0010990900000000 ] - [ 0.0000377700000000, 0.0000497900000000, 0.0000827200000000 ] - [ -0.0008023300000000, -0.0011686100000000, 0.0001970800000000 ] - [ -0.0002710300000000, 0.0000355900000000, -0.0000744400000000 ] - [ 0.0004780900000000, -0.0002533500000000, 0.0001559500000000 ] - [ 0.0002597400000000, 0.0000858400000000, -0.0005553100000000 ] - [ 0.0000764900000000, 0.0000846900000000, 0.0011681700000000 ] - [ -0.0000012900000000, 0.0006317400000000, 0.0000758700000000 ] - [ -0.0005992700000000, -0.0005933400000000, 0.0006409900000000 ] - [ 0.0014246500000000, -0.0014377100000000, -0.0003117900000000 ] - [ 0.0006135900000000, -0.0010225400000000, -0.0008765300000000 ] - [ -0.0035501500000000, -0.0031247500000000, 0.0006173000000000 ] - [ 0.0032868900000000, 0.0061527300000000, 0.0008295700000000 ] - [ 0.0000906300000000, 0.0005131900000000, -0.0000426500000000 ] - [ -0.0000238900000000, -0.0004166500000000, 0.0001194300000000 ] - [ -0.0000884800000000, 0.0000489400000000, -0.0000922800000000 ] - [ 0.0039847100000000, 0.0013364800000000, -0.0041138700000000 ] - [ -0.0000316000000000, 0.0002186300000000, 0.0001034900000000 ] - [ -0.0000769200000000, -0.0009145900000000, -0.0002306600000000 ] - [ -0.0004332900000000, -0.0002240600000000, -0.0005206100000000 ] - [ 0.0000842700000000, -0.0001570600000000, -0.0002957000000000 ] - [ -0.0001042600000000, 0.0008011500000000, -0.0012893000000000 ] - [ 0.0001050000000000, 0.0002307900000000, 0.0000092200000000 ] - [ -0.0089056900000000, -0.0029436900000000, 0.0002679400000000 ] - [ 0.0004051900000000, 0.0004305600000000, 0.0003267400000000 ] - [ -0.0004558100000000, 0.0001404800000000, -0.0005102400000000 ] - [ -0.0000799100000000, 0.0002281300000000, 0.0002184300000000 ] - [ -0.0002109000000000, -0.0010487600000000, 0.0013004600000000 ] - [ 0.0002155300000000, 0.0001480300000000, 0.0015330500000000 ] - [ -0.0000177200000000, 0.0002066600000000, 0.0000420800000000 ] - [ 0.0000044000000000, -0.0005366800000000, 0.0017545200000000 ] - [ -0.0006201300000000, 0.0002234000000000, -0.0002156600000000 ] - [ 0.0002107200000000, 0.0004306600000000, 0.0016559500000000 ] - [ -0.0000776800000000, -0.0004061600000000, 0.0000708700000000 ] - [ -0.0001434300000000, 0.0001344200000000, -0.0000280900000000 ] - [ 0.0002275300000000, 0.0002024100000000, -0.0002136100000000 ] - [ -0.0000260900000000, -0.0002662300000000, -0.0006076900000000 ] - [ -0.0005552700000000, -0.0004865400000000, -0.0002992900000000 ] - [ 0.0002751600000000, 0.0000470800000000, -0.0005648300000000 ] - [ 0.0000652800000000, -0.0000145100000000, 0.0003112900000000 ] - [ 0.0002629900000000, -0.0000642900000000, -0.0000019200000000 ] - [ 0.0000638200000000, -0.0002714700000000, -0.0007724300000000 ] - [ -0.0004045100000000, 0.0010730100000000, 0.0003325100000000 ] - [ -0.0005215800000000, -0.0002322100000000, -0.0005969600000000 ] - [ -0.0007470700000000, -0.0002523100000000, 0.0004504700000000 ] - [ -0.0000425100000000, 0.0001569500000000, -0.0006670000000000 ] - [ -0.0000786400000000, -0.0001772000000000, -0.0009321900000000 ] - [ -0.0000642100000000, 0.0002898900000000, 0.0007283600000000 ] - [ 0.0002950000000000, 0.0000474200000000, 0.0005165100000000 ] - [ 0.0000105000000000, -0.0007769700000000, -0.0000059700000000 ] - [ -0.0001207100000000, -0.0008889600000000, -0.0003112200000000 ] - [ 0.0001718200000000, 0.0005732900000000, 0.0000747700000000 ] - [ 0.0004562800000000, 0.0002841400000000, -0.0009251800000000 ] - [ -0.0001426600000000, -0.0003196300000000, 0.0006353400000000 ] - [ -0.0000066700000000, 0.0000401000000000, -0.0001569100000000 ] - [ 0.0000578600000000, 0.0000459100000000, -0.0005605800000000 ] - [ -0.0003187900000000, -0.0006768800000000, 0.0005555900000000 ] - [ 0.0001712700000000, -0.0000317000000000, -0.0002394700000000 ] - [ -0.0002645900000000, -0.0002222500000000, 0.0001156700000000 ] - [ 0.0000840200000000, -0.0004992700000000, -0.0001228900000000 ] - [ -0.0001406700000000, 0.0000821700000000, -0.0000464600000000 ] - [ -0.0000331600000000, 0.0001099300000000, 0.0007538300000000 ] - [ 0.0002293800000000, 0.0003605600000000, -0.0009233000000000 ] - [ 0.0003900900000000, 0.0000086400000000, -0.0005755200000000 ] - [ -0.0007431500000000, 0.0008393600000000, 0.0028171100000000 ] - [ -0.0000184500000000, 0.0000311700000000, -0.0012834200000000 ] - [ -0.0043771700000000, -0.0046439400000000, 0.0052701100000000 ] - [ 0.0000916400000000, 0.0001828600000000, -0.0003990700000000 ] - [ 0.0000795000000000, -0.0003732200000000, 0.0004403600000000 ] - [ -0.0002791600000000, -0.0002319400000000, 0.0002635500000000 ] - [ -0.0030685900000000, 0.0003770500000000, 0.0010924900000000 ] - [ 0.0003503700000000, 0.0003198400000000, -0.0003432100000000 ] - [ 0.0000467100000000, 0.0002381400000000, 0.0004492800000000 ] - [ -0.0008352600000000, -0.0006618900000000, 0.0019482700000000 ] - [ 0.0001616000000000, 0.0000314500000000, 0.0001082400000000 ] - [ -0.0002745600000000, 0.0005392900000000, -0.0000507500000000 ] - [ 0.0002656700000000, -0.0005315700000000, 0.0006287000000000 ] - [ -0.0003024400000000, 0.0000589700000000, -0.0016802900000000 ] - [ -0.0004583200000000, -0.0003328100000000, -0.0010627800000000 ] - [ 0.0001704600000000, -0.0036105300000000, -0.0016638800000000 ] - [ -0.0000947200000000, 0.0001052400000000, -0.0002792800000000 ] - [ 0.0003380200000000, 0.0001739300000000, -0.0009296300000000 ] - [ -0.0002698800000000, 0.0007583800000000, -0.0000061200000000 ] - [ 0.0005839200000000, -0.0001469500000000, -0.0001755700000000 ] - [ 0.0001943500000000, 0.0004965700000000, -0.0003575700000000 ] - [ -0.0005715200000000, 0.0000321100000000, -0.0013138100000000 ] - [ 0.0001240000000000, 0.0002306800000000, 0.0003686500000000 ] - [ -0.0001012100000000, -0.0001527100000000, 0.0000016600000000 ] - [ 0.0000048600000000, 0.0016568200000000, -0.0002395200000000 ] - [ -0.0005076000000000, 0.0006774500000000, -0.0004231800000000 ] - [ 0.0001373700000000, 0.0006765900000000, -0.0002322500000000 ] - [ -0.0016714100000000, -0.0006454300000000, 0.0018455400000000 ] - [ 0.0001712500000000, -0.0000115000000000, 0.0000516900000000 ] - [ 0.0010673200000000, 0.0001084400000000, 0.0000722400000000 ] - [ -0.0003309100000000, 0.0002404900000000, 0.0000589000000000 ] - [ 0.0006853700000000, 0.0006486800000000, 0.0006350900000000 ] - [ -0.0003146300000000, 0.0001081900000000, -0.0003156800000000 ] - [ -0.0005881000000000, 0.0011853200000000, 0.0001415400000000 ] - [ -0.0001946300000000, 0.0000640800000000, 0.0004278500000000 ] - [ -0.0000575300000000, 0.0007491900000000, 0.0002059800000000 ] - [ 0.0003094100000000, -0.0001358600000000, 0.0002961800000000 ] - [ -0.0000803700000000, 0.0000407800000000, -0.0000284600000000 ] - [ 0.0000960000000000, -0.0008483700000000, 0.0001091000000000 ] - [ -0.0001231100000000, -0.0004600500000000, -0.0000044000000000 ] - [ 0.0021772000000000, 0.0003992400000000, 0.0033285900000000 ] - [ 0.0030234700000000, 0.0004336200000000, -0.0021173600000000 ] - [ -0.0001099300000000, 0.0008431800000000, -0.0012912900000000 ] - [ -0.0003023800000000, -0.0006683700000000, 0.0006150500000000 ] - [ 0.0006882700000000, 0.0007676700000000, -0.0003723000000000 ] - [ -0.0003519300000000, -0.0001209600000000, 0.0002877600000000 ] - [ -0.0002962400000000, -0.0000558800000000, 0.0000685600000000 ] - [ 0.0001333100000000, -0.0004945700000000, 0.0001779100000000 ] - [ 0.0002552600000000, -0.0000256000000000, 0.0002114000000000 ] - [ 0.0001772400000000, -0.0001670500000000, -0.0001922700000000 ] - [ 0.0002824800000000, 0.0001921700000000, -0.0000915200000000 ] - [ 0.0001104700000000, 0.0001309800000000, -0.0002846400000000 ] - [ -0.0008623000000000, -0.0014385000000000, 0.0013944700000000 ] - [ -0.0001060300000000, 0.0002657300000000, -0.0001169600000000 ] - [ 0.0002931100000000, -0.0000114700000000, -0.0007444400000000 ] - [ 0.0003301800000000, -0.0003269900000000, -0.0003323900000000 ] - [ -0.0003277900000000, 0.0003484800000000, 0.0009599800000000 ] - [ -0.0029158400000000, -0.0004209900000000, 0.0049766700000000 ] - [ -0.0003492100000000, 0.0006266900000000, -0.0006796000000000 ] - [ 0.0024687700000000, 0.0006513400000000, -0.0002092500000000 ] - [ 0.0005589100000000, -0.0000794600000000, 0.0000233100000000 ] - [ -0.0005340600000000, 0.0000530900000000, 0.0000275600000000 ] - [ 0.0003862500000000, -0.0000375100000000, 0.0002979200000000 ] - [ 0.0004822500000000, 0.0025849700000000, -0.0002598600000000 ] - [ 0.0000244600000000, -0.0003445500000000, -0.0020535500000000 ] - [ -0.0000202600000000, -0.0002206600000000, 0.0002151200000000 ] - [ 0.0001382400000000, 0.0000279600000000, -0.0010747200000000 ]- atom: 2 displacement: [ 0.0035230240541542, 0.0000000000000000, -0.0093588621911988 ] forces: - [ 0.0001116400000000, -0.0000654300000000, -0.0000898300000000 ] - [ -0.0160965000000000, -0.0088831500000000, 0.0214814000000000 ] - [ 0.0002730500000000, 0.0001426300000000, 0.0002484400000000 ] - [ 0.0000504900000000, -0.0002754800000000, 0.0002248000000000 ] - [ 0.0001138500000000, -0.0003826800000000, -0.0006221600000000 ] - [ 0.0006645000000000, -0.0013262100000000, -0.0003921400000000 ] - [ -0.0008159000000000, -0.0001112900000000, -0.0027315600000000 ] - [ 0.0004515200000000, 0.0001584600000000, -0.0000365200000000 ] - [ 0.0000501300000000, -0.0000288000000000, -0.0001267800000000 ] - [ -0.0001772600000000, 0.0000045200000000, -0.0003762600000000 ] - [ 0.0000256100000000, 0.0003514000000000, 0.0000298500000000 ] - [ 0.0001367100000000, -0.0000261600000000, 0.0000455100000000 ] - [ 0.0004956600000000, -0.0004881200000000, 0.0008732900000000 ] - [ -0.0000202600000000, 0.0001537000000000, 0.0000307400000000 ] - [ 0.0005704000000000, -0.0003238700000000, 0.0007127500000000 ] - [ -0.0004647900000000, -0.0002222000000000, -0.0000996500000000 ] - [ 0.0000797700000000, -0.0003503000000000, -0.0005547900000000 ] - [ -0.0005082400000000, -0.0000257400000000, -0.0002379000000000 ] - [ -0.0001151600000000, 0.0004908600000000, -0.0001641900000000 ] - [ 0.0000381000000000, 0.0002568300000000, -0.0000228900000000 ] - [ 0.0003993600000000, 0.0001317200000000, -0.0005903200000000 ] - [ -0.0012290800000000, -0.0003943100000000, 0.0005365200000000 ] - [ -0.0003030100000000, -0.0000438500000000, 0.0001240700000000 ] - [ 0.0000909000000000, 0.0001738600000000, 0.0002021100000000 ] - [ 0.0001717100000000, 0.0004129200000000, -0.0000322300000000 ] - [ 0.0000203000000000, 0.0000991900000000, -0.0001436900000000 ] - [ -0.0001398900000000, -0.0009094300000000, 0.0005516200000000 ] - [ -0.0001675400000000, -0.0007044000000000, -0.0009016100000000 ] - [ 0.0097088000000000, -0.0028094200000000, -0.0032247900000000 ] - [ 0.0000389900000000, 0.0001435600000000, -0.0005640900000000 ] - [ -0.0013613300000000, 0.0006030400000000, -0.0011526900000000 ] - [ 0.0011473400000000, 0.0004055600000000, -0.0032883700000000 ] - [ 0.0008513700000000, -0.0009631400000000, -0.0010555300000000 ] - [ -0.0028579700000000, -0.0005300400000000, 0.0013075700000000 ] - [ -0.0002043800000000, -0.0008683200000000, 0.0002565100000000 ] - [ 0.0002921200000000, -0.0004442700000000, -0.0000457800000000 ] - [ 0.0003335400000000, 0.0009925800000000, -0.0006436500000000 ] - [ 0.0001915800000000, -0.0004584100000000, -0.0015742000000000 ] - [ -0.0003518700000000, -0.0018737600000000, -0.0011249300000000 ] - [ -0.0002482300000000, 0.0047471600000000, -0.0030768000000000 ] - [ -0.0000050200000000, 0.0002607200000000, -0.0001722500000000 ] - [ 0.0003225000000000, 0.0003318200000000, 0.0006247400000000 ] - [ -0.0019269400000000, 0.0069771700000000, -0.0013186400000000 ] - [ -0.0002133500000000, 0.0017560900000000, 0.0033470500000000 ] - [ -0.0002212100000000, 0.0000069200000000, -0.0004576200000000 ] - [ 0.0001250400000000, 0.0007510600000000, 0.0004368000000000 ] - [ 0.0000317000000000, 0.0004221000000000, 0.0002069500000000 ] - [ 0.0006199300000000, 0.0008562700000000, 0.0006780900000000 ] - [ -0.0000454200000000, -0.0005129000000000, 0.0000209700000000 ] - [ -0.0004065100000000, 0.0006478500000000, 0.0000122600000000 ] - [ 0.0001898900000000, -0.0000171900000000, -0.0001382200000000 ] - [ 0.0002179200000000, -0.0002178300000000, -0.0006231900000000 ] - [ 0.0004218600000000, 0.0000306600000000, -0.0003149800000000 ] - [ 0.0001788000000000, 0.0012513100000000, -0.0004007000000000 ] - [ -0.0010948500000000, 0.0009516700000000, 0.0003611300000000 ] - [ -0.0003133500000000, 0.0002420500000000, 0.0004201900000000 ] - [ 0.0035916100000000, 0.0037499700000000, -0.0008564500000000 ] - [ -0.0029008600000000, -0.0068554800000000, -0.0010696200000000 ] - [ -0.0001632100000000, -0.0001165700000000, -0.0001259800000000 ] - [ -0.0000080400000000, -0.0001957900000000, 0.0000967200000000 ] - [ -0.0002057900000000, 0.0000846800000000, -0.0004499300000000 ] - [ -0.0037075700000000, -0.0011894100000000, 0.0046185300000000 ] - [ -0.0000015700000000, 0.0003926700000000, 0.0001130400000000 ] - [ -0.0003442700000000, 0.0002523300000000, 0.0004710900000000 ] - [ 0.0001402200000000, 0.0000917300000000, -0.0000242700000000 ] - [ 0.0001694100000000, -0.0001035500000000, 0.0001537000000000 ] - [ -0.0001403100000000, -0.0005691900000000, 0.0014000000000000 ] - [ 0.0001955100000000, 0.0005497900000000, -0.0004646700000000 ] - [ 0.0085213900000000, 0.0036507200000000, 0.0001796800000000 ] - [ -0.0001526900000000, -0.0001724800000000, -0.0004683300000000 ] - [ 0.0000060600000000, -0.0002089700000000, 0.0012023500000000 ] - [ 0.0003920800000000, 0.0002490600000000, -0.0001646300000000 ] - [ -0.0000890000000000, 0.0002693300000000, -0.0008466000000000 ] - [ -0.0006668000000000, -0.0000783200000000, -0.0008374700000000 ] - [ 0.0004698400000000, -0.0002776800000000, -0.0007370400000000 ] - [ -0.0002587900000000, 0.0002746800000000, -0.0016144400000000 ] - [ 0.0005499600000000, -0.0006212200000000, 0.0000478000000000 ] - [ -0.0001694900000000, -0.0010326700000000, -0.0018563900000000 ] - [ 0.0001498400000000, 0.0000092700000000, 0.0000976300000000 ] - [ -0.0001739500000000, 0.0003404100000000, -0.0000257800000000 ] - [ 0.0002481500000000, 0.0005993200000000, 0.0002800500000000 ] - [ -0.0001055600000000, 0.0002453400000000, 0.0014375000000000 ] - [ 0.0000042300000000, 0.0003176200000000, 0.0007726600000000 ] - [ -0.0005426000000000, 0.0007279000000000, 0.0003207900000000 ] - [ 0.0000025700000000, -0.0001059500000000, 0.0003536700000000 ] - [ 0.0002224100000000, 0.0001356300000000, 0.0002168500000000 ] - [ 0.0004274800000000, 0.0001657800000000, 0.0005197800000000 ] - [ -0.0001562800000000, -0.0009860300000000, -0.0005381400000000 ] - [ 0.0001312200000000, 0.0001629300000000, 0.0010060800000000 ] - [ 0.0012123200000000, -0.0005498800000000, -0.0003836800000000 ] - [ 0.0002708400000000, -0.0000195200000000, 0.0009467700000000 ] - [ -0.0002011000000000, 0.0012574000000000, 0.0012725900000000 ] - [ -0.0004180600000000, 0.0002204300000000, 0.0001062600000000 ] - [ 0.0002746100000000, -0.0000735900000000, 0.0000549100000000 ] - [ -0.0001620700000000, -0.0004023600000000, 0.0003449000000000 ] - [ 0.0003394500000000, -0.0002383100000000, -0.0000549600000000 ] - [ 0.0000965100000000, 0.0002066200000000, 0.0001692700000000 ] - [ -0.0003035800000000, -0.0014546100000000, 0.0005875600000000 ] - [ -0.0002464800000000, 0.0003867100000000, -0.0002180400000000 ] - [ -0.0003816100000000, 0.0008238200000000, 0.0000996700000000 ] - [ 0.0000733700000000, -0.0000267300000000, -0.0002717400000000 ] - [ -0.0002530300000000, 0.0007059900000000, -0.0011078500000000 ] - [ 0.0003993900000000, 0.0000601600000000, 0.0008111000000000 ] - [ 0.0000451500000000, -0.0009046300000000, 0.0002524700000000 ] - [ 0.0001907900000000, -0.0005846900000000, -0.0002251500000000 ] - [ -0.0000968100000000, 0.0000078800000000, 0.0002406800000000 ] - [ -0.0004502100000000, -0.0000385600000000, -0.0009699900000000 ] - [ 0.0002522400000000, 0.0001490800000000, 0.0000862100000000 ] - [ -0.0001538600000000, -0.0000987600000000, 0.0003807400000000 ] - [ 0.0004080600000000, -0.0003122000000000, -0.0022417600000000 ] - [ -0.0003140500000000, -0.0005745600000000, 0.0018674200000000 ] - [ 0.0047473100000000, 0.0043296100000000, -0.0049580300000000 ] - [ 0.0002405400000000, 0.0003583700000000, -0.0001861200000000 ] - [ -0.0000111800000000, 0.0004987400000000, 0.0002220800000000 ] - [ -0.0002021000000000, -0.0002787000000000, 0.0005731100000000 ] - [ 0.0033029900000000, -0.0003110800000000, -0.0012522600000000 ] - [ 0.0002162800000000, -0.0002305600000000, 0.0005495000000000 ] - [ 0.0002782700000000, -0.0001001700000000, -0.0001168200000000 ] - [ 0.0005268600000000, -0.0000918400000000, -0.0022223400000000 ] - [ 0.0001642100000000, -0.0001719400000000, 0.0002241900000000 ] - [ -0.0001988400000000, 0.0002642100000000, -0.0000141300000000 ] - [ -0.0005428500000000, 0.0002922500000000, -0.0002971200000000 ] - [ -0.0000281200000000, -0.0001969100000000, 0.0013345800000000 ] - [ 0.0006698100000000, 0.0006604200000000, 0.0011767000000000 ] - [ -0.0005430100000000, 0.0027359400000000, 0.0015710200000000 ] - [ -0.0001366600000000, -0.0002426000000000, -0.0000037300000000 ] - [ -0.0004039400000000, -0.0002947900000000, 0.0002655700000000 ] - [ 0.0000388400000000, -0.0006199900000000, -0.0002742500000000 ] - [ 0.0003585400000000, 0.0002884800000000, 0.0002988200000000 ] - [ 0.0007716000000000, 0.0000914100000000, 0.0002269800000000 ] - [ 0.0000838200000000, -0.0001033200000000, 0.0010962500000000 ] - [ -0.0003600500000000, -0.0003197400000000, -0.0001754300000000 ] - [ -0.0001154400000000, -0.0001781000000000, -0.0001191800000000 ] - [ 0.0001476500000000, -0.0004812900000000, -0.0001019200000000 ] - [ -0.0004338200000000, -0.0005337000000000, 0.0003000200000000 ] - [ 0.0001409100000000, 0.0004107500000000, -0.0001160700000000 ] - [ 0.0026086700000000, 0.0004732500000000, -0.0017541900000000 ] - [ 0.0002217600000000, -0.0000540300000000, -0.0004690400000000 ] - [ -0.0008570400000000, 0.0010217900000000, -0.0004423400000000 ] - [ -0.0006066800000000, -0.0003798500000000, -0.0001824800000000 ] - [ -0.0008482700000000, -0.0016375000000000, -0.0004539100000000 ] - [ -0.0002514000000000, -0.0001974600000000, 0.0001079100000000 ] - [ 0.0005190100000000, -0.0010562700000000, -0.0008060300000000 ] - [ -0.0003599100000000, 0.0001096100000000, 0.0000468900000000 ] - [ -0.0001618500000000, 0.0003765800000000, 0.0001616900000000 ] - [ 0.0001779600000000, 0.0002411000000000, -0.0005466200000000 ] - [ -0.0001527700000000, -0.0001747000000000, 0.0004540500000000 ] - [ -0.0010631400000000, 0.0002631100000000, 0.0000208200000000 ] - [ -0.0003495800000000, -0.0003420500000000, -0.0000612100000000 ] - [ -0.0019441800000000, -0.0005327700000000, -0.0030348800000000 ] - [ -0.0027644300000000, -0.0005580800000000, 0.0016857400000000 ] - [ 0.0003435700000000, -0.0007151200000000, 0.0008643800000000 ] - [ 0.0007886600000000, 0.0001590800000000, -0.0014384100000000 ] - [ -0.0002997600000000, 0.0001002600000000, 0.0004314300000000 ] - [ -0.0001356600000000, 0.0000160700000000, -0.0000344800000000 ] - [ 0.0000205200000000, 0.0002945400000000, 0.0002634100000000 ] - [ 0.0001362100000000, -0.0002828700000000, 0.0000649800000000 ] - [ 0.0002341000000000, -0.0000439500000000, 0.0000078600000000 ] - [ 0.0001543200000000, -0.0003725100000000, -0.0003914800000000 ] - [ -0.0000066500000000, -0.0004317000000000, -0.0002411200000000 ] - [ 0.0000209500000000, -0.0001496300000000, -0.0005464200000000 ] - [ 0.0007161200000000, 0.0026167700000000, -0.0010595600000000 ] - [ -0.0001117600000000, 0.0000670400000000, 0.0000001500000000 ] - [ 0.0000988800000000, 0.0000781600000000, 0.0003283700000000 ] - [ -0.0008189400000000, 0.0004341800000000, 0.0005844900000000 ] - [ 0.0000942600000000, -0.0002132800000000, -0.0005331700000000 ] - [ 0.0028260500000000, 0.0004227800000000, -0.0041370800000000 ] - [ 0.0006211900000000, -0.0003859300000000, 0.0003495700000000 ] - [ -0.0022567600000000, -0.0009901700000000, 0.0003303000000000 ] - [ 0.0004032200000000, -0.0005065800000000, -0.0001561300000000 ] - [ -0.0004279900000000, 0.0005322200000000, 0.0001057500000000 ] - [ 0.0001573600000000, -0.0001186700000000, -0.0007664800000000 ] - [ -0.0008073700000000, -0.0024552500000000, -0.0000718300000000 ] - [ -0.0005981800000000, 0.0003198800000000, 0.0014820700000000 ] - [ 0.0004071300000000, -0.0006442600000000, -0.0001568700000000 ] - [ 0.0004166400000000, 0.0001482300000000, 0.0006024600000000 ]- atom: 3 displacement: [ 0.0099999639143206, 0.0000000000000000, -0.0000268647033593 ] forces: - [ 0.0000961000000000, -0.0001292500000000, 0.0000688200000000 ] - [ -0.0000685600000000, 0.0007291800000000, 0.0000110300000000 ] - [ -0.0323927600000000, -0.0004502500000000, 0.0158696800000000 ] - [ 0.0002106000000000, 0.0000775100000000, 0.0002988800000000 ] - [ -0.0000226900000000, -0.0004415800000000, -0.0002588900000000 ] - [ 0.0007479300000000, 0.0000081800000000, -0.0001346500000000 ] - [ -0.0001115300000000, 0.0001746200000000, -0.0000556600000000 ] - [ 0.0004528900000000, 0.0002152400000000, -0.0001755400000000 ] - [ 0.0000441700000000, 0.0000590200000000, -0.0002286300000000 ] - [ 0.0000401000000000, 0.0000515400000000, 0.0000346400000000 ] - [ 0.0000628400000000, 0.0003270800000000, 0.0001216600000000 ] - [ 0.0001172900000000, -0.0002654600000000, 0.0000388800000000 ] - [ 0.0003994600000000, -0.0001928600000000, 0.0001232500000000 ] - [ -0.0000859300000000, 0.0000258100000000, -0.0000318000000000 ] - [ 0.0001605600000000, -0.0007188700000000, 0.0001207100000000 ] - [ -0.0002925800000000, -0.0000176100000000, 0.0000676800000000 ] - [ -0.0000816100000000, -0.0002179600000000, -0.0001291300000000 ] - [ 0.0001278900000000, -0.0001131500000000, -0.0000328900000000 ] - [ -0.0004153000000000, 0.0001159200000000, -0.0000878500000000 ] - [ 0.0001405400000000, -0.0000116500000000, 0.0002196500000000 ] - [ 0.0003128700000000, -0.0000066400000000, -0.0001003000000000 ] - [ -0.0017277100000000, -0.0001398700000000, 0.0003223200000000 ] - [ 0.0007137200000000, 0.0006939600000000, 0.0013687400000000 ] - [ 0.0005172200000000, -0.0012992400000000, 0.0001308300000000 ] - [ 0.0002037600000000, -0.0003441200000000, 0.0003607600000000 ] - [ 0.0000505900000000, -0.0002765200000000, 0.0001720800000000 ] - [ 0.0027925400000000, -0.0027912500000000, -0.0053931200000000 ] - [ -0.0003818800000000, -0.0001242600000000, 0.0013863400000000 ] - [ -0.0004450200000000, -0.0001458500000000, -0.0001348300000000 ] - [ -0.0004753800000000, 0.0000876100000000, -0.0004386300000000 ] - [ -0.0003127200000000, 0.0001840500000000, 0.0004516500000000 ] - [ 0.0003400500000000, 0.0001973600000000, -0.0000133400000000 ] - [ -0.0002655900000000, 0.0004496600000000, 0.0003230400000000 ] - [ 0.0002256600000000, 0.0000519300000000, -0.0004961400000000 ] - [ -0.0000624100000000, -0.0003497900000000, 0.0000607800000000 ] - [ 0.0001250600000000, -0.0001102700000000, -0.0004263500000000 ] - [ -0.0044952900000000, 0.0004393300000000, -0.0003782400000000 ] - [ 0.0001965200000000, -0.0005955800000000, -0.0003180900000000 ] - [ -0.0002657100000000, 0.0003305500000000, -0.0026094900000000 ] - [ 0.0001604100000000, -0.0000938300000000, -0.0000559000000000 ] - [ 0.0003490100000000, 0.0000698400000000, -0.0002566100000000 ] - [ -0.0032559800000000, 0.0021351800000000, -0.0003993500000000 ] - [ 0.0018035200000000, 0.0040829800000000, 0.0046111600000000 ] - [ -0.0000612800000000, 0.0000474600000000, 0.0000983800000000 ] - [ -0.0000481000000000, -0.0000191900000000, 0.0003820100000000 ] - [ 0.0066715100000000, 0.0006946000000000, 0.0002145400000000 ] - [ 0.0021583100000000, 0.0004688900000000, 0.0002133900000000 ] - [ 0.0046671000000000, -0.0046995100000000, -0.0067868800000000 ] - [ -0.0004250900000000, -0.0002609400000000, -0.0000060700000000 ] - [ -0.0000053900000000, 0.0001408800000000, 0.0000767300000000 ] - [ -0.0049170700000000, -0.0009948000000000, 0.0011126800000000 ] - [ 0.0002083700000000, -0.0002881800000000, -0.0006715700000000 ] - [ 0.0011900800000000, 0.0003211400000000, -0.0002925400000000 ] - [ -0.0001584400000000, 0.0003105300000000, 0.0001058500000000 ] - [ 0.0015939000000000, 0.0004209600000000, -0.0000156300000000 ] - [ 0.0001917200000000, -0.0004786800000000, -0.0003178600000000 ] - [ -0.0010794400000000, -0.0003781400000000, -0.0001241200000000 ] - [ 0.0001536500000000, -0.0003382000000000, -0.0000681000000000 ] - [ -0.0011405600000000, 0.0003772600000000, -0.0000100200000000 ] - [ 0.0000016000000000, -0.0002021600000000, 0.0001016100000000 ] - [ -0.0000938700000000, 0.0000341800000000, -0.0004176100000000 ] - [ -0.0000732200000000, -0.0000223700000000, 0.0003093600000000 ] - [ 0.0002675400000000, 0.0002406700000000, 0.0000753700000000 ] - [ 0.0028381700000000, -0.0030969000000000, 0.0028819300000000 ] - [ -0.0001187700000000, -0.0000657900000000, -0.0002269700000000 ] - [ 0.0008739400000000, -0.0008450200000000, 0.0004614600000000 ] - [ 0.0076484800000000, 0.0092474400000000, -0.0064258900000000 ] - [ -0.0002452400000000, 0.0002903500000000, -0.0005492600000000 ] - [ 0.0000555500000000, 0.0003281900000000, 0.0002734700000000 ] - [ 0.0001061200000000, 0.0000700600000000, -0.0000350600000000 ] - [ 0.0055789300000000, -0.0012003100000000, 0.0043433500000000 ] - [ 0.0001880400000000, 0.0000656500000000, 0.0000756200000000 ] - [ -0.0001262100000000, -0.0005840300000000, 0.0007787300000000 ] - [ -0.0001943500000000, 0.0000147900000000, 0.0003206700000000 ] - [ 0.0002114000000000, -0.0000580400000000, -0.0004308700000000 ] - [ -0.0001716300000000, -0.0001519700000000, -0.0000035800000000 ] - [ -0.0000091100000000, -0.0003442700000000, -0.0000771700000000 ] - [ -0.0000148100000000, -0.0000212000000000, -0.0001905400000000 ] - [ 0.0049598600000000, 0.0025596900000000, -0.0018606000000000 ] - [ -0.0003109400000000, -0.0003146200000000, -0.0001224400000000 ] - [ 0.0003453900000000, 0.0005421200000000, -0.0000521600000000 ] - [ -0.0001624900000000, 0.0001603900000000, 0.0016845600000000 ] - [ -0.0002592100000000, -0.0000672900000000, 0.0002210100000000 ] - [ -0.0003094600000000, 0.0005567000000000, -0.0002570100000000 ] - [ -0.0001290300000000, 0.0007401700000000, 0.0009021300000000 ] - [ 0.0002213500000000, 0.0000224900000000, 0.0001366500000000 ] - [ 0.0001943500000000, -0.0000091900000000, -0.0001158600000000 ] - [ -0.0003208700000000, 0.0000940200000000, -0.0001068600000000 ] - [ -0.0002510700000000, -0.0000215100000000, 0.0002016700000000 ] - [ -0.0011470500000000, -0.0000456600000000, 0.0002653200000000 ] - [ 0.0000602200000000, 0.0000217800000000, -0.0002990200000000 ] - [ -0.0002628500000000, 0.0002165000000000, 0.0003414300000000 ] - [ -0.0002390000000000, 0.0002077900000000, 0.0003895600000000 ] - [ -0.0005903600000000, 0.0000784600000000, -0.0001290000000000 ] - [ -0.0003392600000000, -0.0005820600000000, 0.0002608100000000 ] - [ 0.0008956800000000, -0.0007059200000000, -0.0001968200000000 ] - [ 0.0000963400000000, 0.0006320400000000, 0.0001692800000000 ] - [ 0.0000401800000000, -0.0005732800000000, -0.0001639800000000 ] - [ -0.0010101400000000, 0.0009446800000000, -0.0028907500000000 ] - [ -0.0010515700000000, 0.0003685600000000, 0.0007254700000000 ] - [ -0.0002332600000000, -0.0000011300000000, -0.0002742800000000 ] - [ -0.0001867900000000, -0.0015245500000000, 0.0037589300000000 ] - [ 0.0002932600000000, 0.0000456600000000, 0.0002890600000000 ] - [ -0.0000738000000000, -0.0005055300000000, 0.0001841500000000 ] - [ -0.0002196300000000, -0.0004088100000000, -0.0002523000000000 ] - [ -0.0002113500000000, 0.0000983300000000, 0.0000439300000000 ] - [ 0.0034510300000000, -0.0025236200000000, -0.0003995900000000 ] - [ -0.0001859200000000, 0.0003562200000000, 0.0006655500000000 ] - [ 0.0004485300000000, 0.0000913800000000, 0.0008346600000000 ] - [ 0.0002229500000000, -0.0029584100000000, -0.0006471000000000 ] - [ -0.0001688700000000, -0.0002736200000000, 0.0003693000000000 ] - [ 0.0001019800000000, -0.0000418600000000, 0.0001125700000000 ] - [ 0.0001584000000000, 0.0003590300000000, -0.0003258600000000 ] - [ 0.0001291700000000, 0.0000466100000000, 0.0003103100000000 ] - [ -0.0002294900000000, -0.0002322000000000, 0.0005187900000000 ] - [ 0.0003278000000000, 0.0001039000000000, -0.0001431800000000 ] - [ 0.0005709100000000, 0.0000781400000000, -0.0000711200000000 ] - [ 0.0000629000000000, 0.0000567100000000, 0.0001751800000000 ] - [ -0.0011227200000000, -0.0007343600000000, -0.0002728500000000 ] - [ 0.0000891100000000, -0.0001527300000000, 0.0000564000000000 ] - [ -0.0000911100000000, 0.0005830800000000, 0.0000566000000000 ] - [ -0.0002206300000000, -0.0000369700000000, 0.0001602000000000 ] - [ -0.0001826800000000, -0.0002030300000000, -0.0001594100000000 ] - [ 0.0002728600000000, -0.0001363900000000, 0.0001515300000000 ] - [ -0.0001051700000000, -0.0004201700000000, -0.0000418700000000 ] - [ 0.0005942000000000, -0.0003658500000000, 0.0003256800000000 ] - [ -0.0000954900000000, 0.0001105600000000, -0.0003449400000000 ] - [ -0.0001144700000000, 0.0001177400000000, -0.0001303800000000 ] - [ -0.0001723800000000, -0.0001421100000000, -0.0001794400000000 ] - [ 0.0004917600000000, 0.0003078100000000, -0.0000666000000000 ] - [ -0.0002186700000000, -0.0000162800000000, -0.0000435900000000 ] - [ -0.0001810000000000, -0.0000596600000000, 0.0000912300000000 ] - [ -0.0003158900000000, -0.0002818100000000, -0.0000601900000000 ] - [ -0.0006319800000000, 0.0007579500000000, -0.0026730300000000 ] - [ -0.0005208300000000, 0.0001324400000000, -0.0000537800000000 ] - [ 0.0000478000000000, 0.0005391900000000, -0.0001587700000000 ] - [ 0.0004088600000000, -0.0001105300000000, 0.0000234600000000 ] - [ 0.0024650200000000, -0.0003031500000000, -0.0014554300000000 ] - [ 0.0000552700000000, 0.0007263000000000, -0.0001407900000000 ] - [ 0.0015842500000000, 0.0010855500000000, -0.0013018700000000 ] - [ 0.0009083600000000, -0.0004064100000000, -0.0002965300000000 ] - [ 0.0001015500000000, 0.0000011500000000, -0.0002042900000000 ] - [ -0.0013522000000000, -0.0006058300000000, -0.0006146900000000 ] - [ -0.0019147600000000, 0.0009004400000000, 0.0001780900000000 ] - [ -0.0011864000000000, -0.0015776500000000, 0.0004583800000000 ] - [ -0.0037794500000000, -0.0009013400000000, -0.0000727000000000 ] - [ -0.0000650600000000, -0.0000888200000000, 0.0004708400000000 ] - [ -0.0004225600000000, -0.0002007900000000, 0.0000722700000000 ] - [ -0.0001285100000000, -0.0005231900000000, -0.0000135400000000 ] - [ -0.0000475300000000, 0.0000381300000000, 0.0001354400000000 ] - [ -0.0000937500000000, -0.0000545300000000, -0.0002466400000000 ] - [ 0.0001421800000000, -0.0000531800000000, -0.0010179700000000 ] - [ 0.0004068800000000, -0.0000995900000000, -0.0004988000000000 ] - [ 0.0001859400000000, 0.0004635300000000, 0.0000291600000000 ] - [ 0.0033653900000000, -0.0001209900000000, -0.0014335600000000 ] - [ 0.0003940600000000, 0.0000789600000000, -0.0002598500000000 ] - [ 0.0005795100000000, -0.0002757400000000, 0.0001132300000000 ] - [ 0.0019513600000000, -0.0002069200000000, -0.0000362200000000 ] - [ -0.0001690700000000, -0.0000008900000000, -0.0002942100000000 ] - [ 0.0063129500000000, 0.0014267600000000, -0.0054434000000000 ] - [ 0.0000598400000000, -0.0000072600000000, -0.0004901000000000 ] - [ -0.0000709200000000, 0.0006347300000000, 0.0001506500000000 ] - [ -0.0000704400000000, 0.0001669800000000, -0.0000774400000000 ] - [ 0.0001806200000000, 0.0000629400000000, -0.0000719500000000 ] - [ -0.0002201300000000, 0.0000532500000000, 0.0001485900000000 ] - [ -0.0000978500000000, 0.0002891800000000, 0.0002274300000000 ] - [ 0.0001537700000000, 0.0000941900000000, 0.0003642200000000 ] - [ 0.0001800100000000, 0.0001290800000000, -0.0001581400000000 ] - [ 0.0009993300000000, 0.0005166500000000, 0.0005409800000000 ] - [ -0.0022888000000000, -0.0005378400000000, 0.0000347900000000 ] - [ 0.0003769000000000, 0.0001305000000000, 0.0007906000000000 ] - [ -0.0029177000000000, -0.0004288100000000, 0.0004293100000000 ] - [ 0.0023940300000000, 0.0008240600000000, 0.0005592800000000 ] - [ -0.0002319200000000, 0.0000615800000000, -0.0002247800000000 ] - [ -0.0016314100000000, 0.0003859100000000, -0.0002635900000000 ] - [ 0.0003173100000000, 0.0001480600000000, -0.0002019600000000 ]- atom: 3 displacement: [ -0.0099999639143206, 0.0000000000000000, 0.0000268647033593 ] forces: - [ 0.0000939400000000, -0.0000892900000000, 0.0001180100000000 ] - [ -0.0000618700000000, -0.0002855000000000, -0.0000648300000000 ] - [ 0.0328981600000000, 0.0007686100000000, -0.0158616300000000 ] - [ -0.0001223700000000, -0.0007429000000000, -0.0000205200000000 ] - [ -0.0000698000000000, -0.0002260400000000, -0.0000188200000000 ] - [ -0.0009363100000000, -0.0002280300000000, -0.0000508900000000 ] - [ -0.0000777900000000, 0.0000432800000000, -0.0001312900000000 ] - [ 0.0004174700000000, 0.0001244200000000, 0.0003955200000000 ] - [ 0.0000156400000000, -0.0001682100000000, 0.0001109900000000 ] - [ -0.0001005700000000, 0.0000577900000000, 0.0000818300000000 ] - [ 0.0000287000000000, 0.0003405100000000, 0.0001555300000000 ] - [ 0.0000138700000000, -0.0001780200000000, 0.0000154600000000 ] - [ 0.0004707800000000, -0.0001468300000000, 0.0000972300000000 ] - [ 0.0001464600000000, 0.0000811200000000, -0.0000864600000000 ] - [ -0.0002212000000000, 0.0006075200000000, -0.0000035700000000 ] - [ -0.0003249200000000, 0.0000079900000000, 0.0000759200000000 ] - [ -0.0000494600000000, -0.0002260600000000, 0.0000756000000000 ] - [ -0.0009981800000000, -0.0002261800000000, -0.0001897600000000 ] - [ -0.0004551300000000, 0.0002229700000000, -0.0001325800000000 ] - [ -0.0000079700000000, 0.0004556900000000, -0.0001654500000000 ] - [ 0.0003046200000000, 0.0000158500000000, -0.0000435700000000 ] - [ 0.0016307800000000, 0.0008212800000000, -0.0006073600000000 ] - [ -0.0013311100000000, -0.0006785800000000, -0.0012138200000000 ] - [ -0.0003225600000000, 0.0015245700000000, 0.0000571200000000 ] - [ 0.0003059900000000, 0.0000169600000000, 0.0005432700000000 ] - [ 0.0000326400000000, -0.0002021400000000, 0.0001086600000000 ] - [ -0.0031755100000000, 0.0017872200000000, 0.0061018500000000 ] - [ -0.0001308100000000, -0.0002006500000000, -0.0022843500000000 ] - [ 0.0003590700000000, 0.0006248700000000, -0.0001464300000000 ] - [ 0.0006565800000000, 0.0002312600000000, -0.0004287600000000 ] - [ 0.0001300200000000, 0.0001344400000000, 0.0004051100000000 ] - [ -0.0002264500000000, 0.0001725500000000, 0.0000895400000000 ] - [ -0.0001248700000000, 0.0005754600000000, 0.0003450900000000 ] - [ -0.0007355600000000, 0.0002702600000000, -0.0004087100000000 ] - [ -0.0000480100000000, -0.0000217400000000, -0.0001364900000000 ] - [ 0.0000551000000000, -0.0002095200000000, -0.0004302100000000 ] - [ 0.0048722600000000, -0.0002586900000000, 0.0003133700000000 ] - [ 0.0001932700000000, -0.0004307600000000, -0.0003494100000000 ] - [ 0.0001833500000000, -0.0008076000000000, 0.0023287400000000 ] - [ 0.0002146500000000, -0.0000926100000000, -0.0000454500000000 ] - [ -0.0004608000000000, 0.0003025100000000, 0.0001834900000000 ] - [ 0.0037466800000000, -0.0018229300000000, 0.0013300900000000 ] - [ -0.0016831300000000, -0.0044830700000000, -0.0045611400000000 ] - [ -0.0003137600000000, 0.0001373600000000, 0.0000035500000000 ] - [ -0.0003259000000000, -0.0001648800000000, -0.0002800600000000 ] - [ -0.0062876500000000, 0.0003342600000000, -0.0008822500000000 ] - [ -0.0020747900000000, 0.0000169900000000, 0.0000650800000000 ] - [ -0.0048255000000000, 0.0043357100000000, 0.0075781300000000 ] - [ 0.0000939500000000, -0.0002200900000000, -0.0000413200000000 ] - [ 0.0000690600000000, 0.0002383300000000, 0.0000862100000000 ] - [ 0.0053413700000000, 0.0010270700000000, -0.0018499200000000 ] - [ 0.0000803200000000, 0.0001463500000000, 0.0012124200000000 ] - [ -0.0007750300000000, 0.0003530800000000, 0.0000643800000000 ] - [ -0.0002550700000000, 0.0003623800000000, 0.0001234700000000 ] - [ -0.0012631300000000, -0.0009058700000000, 0.0000629800000000 ] - [ 0.0001001400000000, -0.0002917100000000, -0.0001409700000000 ] - [ 0.0011026200000000, 0.0010034700000000, -0.0000884100000000 ] - [ 0.0002610000000000, -0.0003359100000000, -0.0001610600000000 ] - [ 0.0010740100000000, 0.0000048400000000, -0.0001568300000000 ] - [ -0.0000310100000000, -0.0004012600000000, 0.0001126200000000 ] - [ -0.0001995800000000, 0.0001091600000000, -0.0001294000000000 ] - [ 0.0003657500000000, 0.0001657600000000, 0.0002343000000000 ] - [ -0.0002963400000000, 0.0003647700000000, 0.0001391700000000 ] - [ -0.0032450700000000, 0.0024619000000000, -0.0027019600000000 ] - [ -0.0001745800000000, -0.0000777800000000, -0.0003172700000000 ] - [ -0.0006189400000000, 0.0005890100000000, -0.0005966000000000 ] - [ -0.0080302600000000, -0.0091583700000000, 0.0066787300000000 ] - [ 0.0005364700000000, 0.0004788800000000, 0.0000914100000000 ] - [ -0.0003459600000000, 0.0004408100000000, 0.0001854700000000 ] - [ 0.0001497100000000, 0.0001910800000000, -0.0001041200000000 ] - [ -0.0059877000000000, 0.0010682500000000, -0.0036372200000000 ] - [ 0.0001423300000000, 0.0004120800000000, -0.0000273800000000 ] - [ -0.0001632600000000, -0.0001844200000000, -0.0003212300000000 ] - [ -0.0002421400000000, 0.0000624700000000, 0.0003768600000000 ] - [ 0.0002258100000000, -0.0000209200000000, -0.0002694200000000 ] - [ -0.0000844600000000, -0.0001095100000000, 0.0001427000000000 ] - [ -0.0000551000000000, -0.0000367900000000, -0.0000857800000000 ] - [ 0.0000439300000000, -0.0005834500000000, -0.0000240900000000 ] - [ -0.0048979500000000, -0.0029280900000000, 0.0019826000000000 ] - [ -0.0000177500000000, 0.0007936300000000, 0.0000735600000000 ] - [ 0.0001772400000000, 0.0002456300000000, 0.0001125400000000 ] - [ 0.0000294700000000, -0.0001786100000000, -0.0008293700000000 ] - [ -0.0003076000000000, -0.0001284300000000, 0.0002414700000000 ] - [ 0.0000149400000000, 0.0001986100000000, 0.0000129100000000 ] - [ 0.0002054800000000, -0.0008189000000000, -0.0002388100000000 ] - [ 0.0002471900000000, 0.0000488600000000, 0.0000551600000000 ] - [ 0.0002649300000000, -0.0000763500000000, -0.0001284900000000 ] - [ -0.0002241000000000, -0.0000117200000000, -0.0000989600000000 ] - [ -0.0001317700000000, -0.0000556000000000, 0.0001801700000000 ] - [ 0.0016698500000000, -0.0007373000000000, -0.0002055300000000 ] - [ 0.0001871900000000, 0.0001138000000000, 0.0005908600000000 ] - [ 0.0000098100000000, 0.0008562700000000, 0.0000084700000000 ] - [ -0.0002423500000000, 0.0002966500000000, 0.0004491700000000 ] - [ 0.0011660900000000, -0.0001118200000000, 0.0007168400000000 ] - [ 0.0001884500000000, -0.0006097000000000, 0.0000733900000000 ] - [ -0.0006691400000000, -0.0004023300000000, -0.0001687100000000 ] - [ 0.0001954300000000, 0.0001226700000000, 0.0000745800000000 ] - [ 0.0001104400000000, -0.0006161100000000, -0.0001713700000000 ] - [ 0.0006252500000000, -0.0008581200000000, 0.0032589400000000 ] - [ 0.0006460300000000, 0.0005068200000000, -0.0007764800000000 ] - [ 0.0003665600000000, 0.0000183000000000, -0.0005741300000000 ] - [ -0.0004104800000000, 0.0015595000000000, -0.0043720500000000 ] - [ 0.0002836500000000, -0.0000166100000000, 0.0003003200000000 ] - [ -0.0001516800000000, -0.0006008900000000, 0.0001831100000000 ] - [ 0.0004692000000000, -0.0006644900000000, -0.0000977700000000 ] - [ -0.0000523900000000, 0.0000144400000000, 0.0001624200000000 ] - [ -0.0036482400000000, 0.0023711000000000, 0.0002232700000000 ] - [ 0.0006691200000000, 0.0001469000000000, -0.0014986100000000 ] - [ -0.0001805900000000, -0.0002061900000000, -0.0010388900000000 ] - [ -0.0005972400000000, 0.0035137800000000, 0.0012557700000000 ] - [ -0.0001593600000000, -0.0002754100000000, 0.0002203800000000 ] - [ 0.0004437400000000, -0.0000400700000000, 0.0000930100000000 ] - [ 0.0001688000000000, 0.0001887800000000, -0.0002629700000000 ] - [ -0.0000499000000000, 0.0000324800000000, 0.0003523200000000 ] - [ -0.0002520800000000, -0.0002712100000000, 0.0003238200000000 ] - [ -0.0000650900000000, 0.0000087600000000, -0.0000609200000000 ] - [ -0.0000273000000000, 0.0000042900000000, 0.0002763200000000 ] - [ 0.0002535900000000, 0.0000427500000000, 0.0001584400000000 ] - [ 0.0008274800000000, -0.0000157400000000, 0.0000293400000000 ] - [ 0.0002290100000000, 0.0000500000000000, 0.0002766500000000 ] - [ -0.0004328600000000, 0.0002046600000000, -0.0001152200000000 ] - [ -0.0000685400000000, -0.0001846200000000, 0.0001739500000000 ] - [ -0.0001347300000000, 0.0001018600000000, -0.0001741000000000 ] - [ -0.0000711300000000, 0.0004646600000000, -0.0000303500000000 ] - [ -0.0002991300000000, -0.0004557600000000, -0.0000092600000000 ] - [ -0.0008421400000000, 0.0002289300000000, -0.0006210300000000 ] - [ 0.0000156000000000, -0.0001860600000000, -0.0003179000000000 ] - [ -0.0001344400000000, 0.0000194600000000, -0.0001622400000000 ] - [ 0.0011233300000000, 0.0002940600000000, 0.0003042400000000 ] - [ 0.0004472800000000, 0.0002595000000000, -0.0000610000000000 ] - [ -0.0002495000000000, -0.0000549300000000, -0.0001481600000000 ] - [ -0.0000808500000000, -0.0000522300000000, 0.0001122600000000 ] - [ 0.0001157600000000, -0.0000478300000000, -0.0000610600000000 ] - [ 0.0007701100000000, 0.0004293500000000, 0.0023508600000000 ] - [ -0.0004305200000000, 0.0000201000000000, -0.0000728400000000 ] - [ 0.0002056400000000, 0.0005328300000000, -0.0001920500000000 ] - [ 0.0005421900000000, -0.0000413900000000, 0.0001030400000000 ] - [ -0.0020748300000000, 0.0002529200000000, 0.0010695400000000 ] - [ 0.0001711300000000, 0.0003818800000000, -0.0002259500000000 ] - [ -0.0025714800000000, -0.0012292600000000, 0.0011541700000000 ] - [ -0.0011642500000000, -0.0006712000000000, 0.0006474500000000 ] - [ -0.0006483900000000, -0.0000832800000000, -0.0000034100000000 ] - [ 0.0012734100000000, 0.0006895900000000, -0.0000446800000000 ] - [ 0.0013483700000000, -0.0007075700000000, 0.0002796800000000 ] - [ 0.0009650100000000, 0.0026793200000000, -0.0000861100000000 ] - [ 0.0042264500000000, 0.0010009700000000, -0.0001754300000000 ] - [ -0.0001676600000000, -0.0000606200000000, -0.0000378500000000 ] - [ -0.0005155600000000, -0.0003656300000000, 0.0000555400000000 ] - [ -0.0003921000000000, -0.0002618800000000, -0.0000478300000000 ] - [ 0.0002946200000000, -0.0001736300000000, 0.0001562200000000 ] - [ 0.0003254200000000, -0.0000930000000000, -0.0001865500000000 ] - [ 0.0000884800000000, 0.0002023200000000, 0.0005872400000000 ] - [ 0.0000765100000000, -0.0004035700000000, -0.0003400500000000 ] - [ 0.0002184100000000, 0.0004124800000000, 0.0000218400000000 ] - [ -0.0038449000000000, 0.0000648600000000, 0.0017193000000000 ] - [ -0.0006810900000000, 0.0001417800000000, 0.0005950500000000 ] - [ -0.0002867200000000, -0.0004759400000000, 0.0001289200000000 ] - [ -0.0014733700000000, 0.0001377100000000, 0.0002398900000000 ] - [ 0.0004975200000000, -0.0005507200000000, -0.0002978100000000 ] - [ -0.0058319100000000, -0.0015625400000000, 0.0048427400000000 ] - [ 0.0000743800000000, -0.0000102300000000, -0.0003631700000000 ] - [ -0.0000797700000000, 0.0005561300000000, 0.0001843000000000 ] - [ -0.0001293900000000, 0.0001612900000000, -0.0000422200000000 ] - [ 0.0002024500000000, 0.0000137200000000, -0.0003095300000000 ] - [ -0.0002387200000000, 0.0000322100000000, 0.0000957400000000 ] - [ -0.0001359800000000, -0.0001387700000000, 0.0002064900000000 ] - [ -0.0002871300000000, -0.0000761200000000, 0.0004884200000000 ] - [ 0.0001092400000000, 0.0000932700000000, -0.0001761400000000 ] - [ -0.0007889000000000, -0.0008474600000000, -0.0004182200000000 ] - [ 0.0032315900000000, -0.0000356900000000, -0.0001506900000000 ] - [ -0.0013159100000000, 0.0004340600000000, -0.0006599100000000 ] - [ 0.0033540600000000, 0.0002073500000000, -0.0008571700000000 ] - [ -0.0027036600000000, -0.0007219500000000, -0.0008850900000000 ] - [ -0.0003452900000000, -0.0000903500000000, -0.0003658200000000 ] - [ 0.0020330400000000, -0.0012693500000000, 0.0003262500000000 ] - [ 0.0002500800000000, 0.0000491600000000, -0.0002601800000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000939300000000, 0.0000994600000000, 0.0000629900000000 ] - [ 0.0002428100000000, 0.0010350100000000, -0.0000716100000000 ] - [ -0.0002974700000000, -0.0299372400000000, -0.0037953800000000 ] - [ 0.0008759000000000, 0.0001913600000000, 0.0001959900000000 ] - [ -0.0001443400000000, -0.0001827000000000, 0.0000559700000000 ] - [ -0.0000786300000000, -0.0002105900000000, -0.0003619600000000 ] - [ 0.0000378200000000, 0.0003838900000000, 0.0000918700000000 ] - [ 0.0004127200000000, -0.0002072000000000, 0.0001433600000000 ] - [ 0.0001207100000000, 0.0000634600000000, -0.0002303600000000 ] - [ -0.0000433200000000, 0.0000185900000000, 0.0000879400000000 ] - [ 0.0000514100000000, 0.0004862100000000, 0.0001426500000000 ] - [ 0.0000820100000000, 0.0000216600000000, 0.0000878500000000 ] - [ 0.0004229200000000, 0.0003139000000000, 0.0001306100000000 ] - [ -0.0000405800000000, 0.0009140200000000, 0.0002805500000000 ] - [ -0.0004505000000000, 0.0005993200000000, -0.0000221400000000 ] - [ -0.0002948600000000, 0.0002768200000000, 0.0000593600000000 ] - [ -0.0000474900000000, -0.0003491800000000, 0.0001142500000000 ] - [ -0.0004901000000000, -0.0006681700000000, -0.0001264400000000 ] - [ -0.0004856700000000, 0.0005054000000000, -0.0001355400000000 ] - [ -0.0001420700000000, 0.0003593300000000, -0.0002813100000000 ] - [ 0.0003187400000000, 0.0002560200000000, -0.0000802300000000 ] - [ -0.0003391900000000, 0.0034677200000000, -0.0030223500000000 ] - [ 0.0003780100000000, -0.0009390500000000, 0.0003563000000000 ] - [ -0.0014533700000000, 0.0015917000000000, -0.0000143800000000 ] - [ 0.0001560000000000, 0.0006664400000000, 0.0006386200000000 ] - [ 0.0001024500000000, 0.0005033000000000, 0.0003902700000000 ] - [ -0.0036904600000000, -0.0049646100000000, 0.0028687500000000 ] - [ -0.0004627300000000, -0.0008316900000000, -0.0019460800000000 ] - [ -0.0003236000000000, 0.0021341300000000, 0.0002559000000000 ] - [ 0.0000695000000000, -0.0003700700000000, 0.0019478300000000 ] - [ -0.0000597500000000, 0.0009559000000000, -0.0000060200000000 ] - [ 0.0001008800000000, 0.0006998300000000, -0.0000652600000000 ] - [ -0.0001793600000000, 0.0016750500000000, 0.0002583400000000 ] - [ -0.0002878400000000, 0.0010827900000000, -0.0002850400000000 ] - [ -0.0004846000000000, 0.0010430400000000, -0.0001828600000000 ] - [ 0.0003632900000000, 0.0010306900000000, -0.0005875200000000 ] - [ 0.0005324900000000, -0.0052659300000000, -0.0010094900000000 ] - [ 0.0001699100000000, 0.0002487500000000, -0.0003520400000000 ] - [ 0.0002069300000000, -0.0009477500000000, -0.0015183900000000 ] - [ 0.0003420800000000, 0.0009779800000000, -0.0001291300000000 ] - [ -0.0001998900000000, -0.0001064600000000, 0.0001529000000000 ] - [ 0.0025528500000000, 0.0052097400000000, -0.0066081100000000 ] - [ 0.0049194600000000, -0.0001335300000000, 0.0042899100000000 ] - [ -0.0001463700000000, 0.0012068100000000, 0.0000141600000000 ] - [ -0.0001025900000000, -0.0013100500000000, 0.0000004200000000 ] - [ -0.0002771700000000, -0.0021831600000000, 0.0003776900000000 ] - [ 0.0001330900000000, 0.0001888100000000, -0.0000364600000000 ] - [ -0.0045122400000000, -0.0019817600000000, 0.0053063600000000 ] - [ -0.0001618800000000, 0.0009895100000000, -0.0001874200000000 ] - [ 0.0000092500000000, 0.0008462700000000, 0.0000823700000000 ] - [ 0.0009185400000000, 0.0078061700000000, 0.0083759200000000 ] - [ 0.0004394800000000, -0.0002513100000000, 0.0005011200000000 ] - [ 0.0001001200000000, -0.0004003100000000, -0.0002937400000000 ] - [ -0.0002271200000000, 0.0008499900000000, -0.0000300300000000 ] - [ 0.0000329100000000, -0.0006587700000000, 0.0000785500000000 ] - [ -0.0002213400000000, 0.0002654400000000, 0.0002491600000000 ] - [ -0.0004670500000000, 0.0040224800000000, 0.0013515500000000 ] - [ 0.0003282600000000, 0.0004632900000000, -0.0003773100000000 ] - [ 0.0000941000000000, -0.0014810200000000, -0.0001373800000000 ] - [ 0.0002701900000000, -0.0002676800000000, 0.0001924600000000 ] - [ 0.0000807700000000, -0.0001374500000000, -0.0004218900000000 ] - [ 0.0005522400000000, 0.0005742400000000, -0.0002200400000000 ] - [ -0.0000418700000000, 0.0009417300000000, 0.0001219800000000 ] - [ -0.0044760900000000, -0.0040282600000000, -0.0021342200000000 ] - [ 0.0003002700000000, 0.0002802200000000, -0.0002422900000000 ] - [ 0.0002467400000000, -0.0004550400000000, 0.0001129800000000 ] - [ 0.0093738500000000, -0.0015538200000000, -0.0053097600000000 ] - [ -0.0003695000000000, 0.0003761800000000, -0.0008105300000000 ] - [ -0.0003325500000000, 0.0007261900000000, 0.0003277000000000 ] - [ 0.0003201600000000, 0.0006327400000000, -0.0002708300000000 ] - [ -0.0046858300000000, -0.0008621400000000, -0.0024473900000000 ] - [ -0.0000012600000000, 0.0005890800000000, -0.0000211900000000 ] - [ -0.0004521100000000, -0.0010919500000000, 0.0007750700000000 ] - [ -0.0004551300000000, 0.0002617600000000, 0.0005029000000000 ] - [ -0.0000153700000000, 0.0002001100000000, -0.0003474900000000 ] - [ 0.0001004600000000, 0.0002513400000000, 0.0002696200000000 ] - [ -0.0001122500000000, 0.0006285100000000, -0.0000800200000000 ] - [ 0.0003476900000000, 0.0001354300000000, -0.0001830300000000 ] - [ 0.0018688000000000, -0.0011859600000000, -0.0009141100000000 ] - [ -0.0006182300000000, 0.0004443200000000, 0.0001813300000000 ] - [ 0.0003439500000000, 0.0002247700000000, 0.0001798400000000 ] - [ -0.0001714400000000, 0.0001857100000000, 0.0004063100000000 ] - [ -0.0004135200000000, -0.0005454500000000, 0.0002861400000000 ] - [ -0.0000648600000000, 0.0002174400000000, 0.0000110800000000 ] - [ 0.0004135700000000, 0.0000176300000000, -0.0000454900000000 ] - [ 0.0002491400000000, -0.0002339000000000, 0.0002447700000000 ] - [ 0.0004556100000000, -0.0004163400000000, -0.0002410400000000 ] - [ -0.0000095800000000, -0.0005530000000000, -0.0001547700000000 ] - [ -0.0001320100000000, -0.0002600900000000, -0.0000181300000000 ] - [ 0.0005915100000000, -0.0006223800000000, -0.0001964200000000 ] - [ 0.0001498000000000, 0.0006377400000000, 0.0000727700000000 ] - [ -0.0002750600000000, 0.0004151800000000, 0.0003228100000000 ] - [ -0.0004982200000000, -0.0003127800000000, 0.0003876600000000 ] - [ 0.0000992800000000, 0.0004897100000000, 0.0001848000000000 ] - [ -0.0000722100000000, 0.0001955400000000, 0.0002375900000000 ] - [ 0.0000839600000000, 0.0005134300000000, 0.0003470600000000 ] - [ 0.0003333300000000, 0.0000968100000000, 0.0000528600000000 ] - [ 0.0000696800000000, -0.0011425600000000, -0.0000932800000000 ] - [ 0.0008958000000000, -0.0000275900000000, 0.0024648900000000 ] - [ -0.0003317900000000, 0.0012757700000000, -0.0000810300000000 ] - [ 0.0000211400000000, 0.0001273600000000, -0.0001646300000000 ] - [ -0.0016337200000000, 0.0016420900000000, 0.0026091100000000 ] - [ 0.0002333200000000, -0.0003355300000000, 0.0003209500000000 ] - [ -0.0001151100000000, -0.0011046300000000, 0.0000973500000000 ] - [ 0.0003832500000000, -0.0010063100000000, -0.0000353700000000 ] - [ -0.0003801100000000, 0.0004737000000000, 0.0001215500000000 ] - [ -0.0014404500000000, 0.0041492200000000, -0.0001057600000000 ] - [ 0.0004586600000000, 0.0005244900000000, -0.0010661100000000 ] - [ -0.0000794900000000, 0.0009798700000000, -0.0003732700000000 ] - [ -0.0033589400000000, 0.0005189400000000, 0.0012342800000000 ] - [ -0.0002349000000000, -0.0004848000000000, 0.0002824300000000 ] - [ 0.0003361900000000, -0.0005771900000000, 0.0001791400000000 ] - [ 0.0001690400000000, -0.0001519800000000, -0.0000113500000000 ] - [ 0.0001475300000000, -0.0010769000000000, 0.0005207800000000 ] - [ -0.0001633400000000, -0.0001645600000000, 0.0001874200000000 ] - [ -0.0003184200000000, -0.0005263300000000, 0.0001838400000000 ] - [ 0.0004707300000000, 0.0009200500000000, -0.0000119300000000 ] - [ 0.0001534500000000, -0.0006030600000000, 0.0001115900000000 ] - [ -0.0005434600000000, -0.0006920000000000, -0.0003180500000000 ] - [ -0.0000414300000000, 0.0001535900000000, -0.0000619300000000 ] - [ 0.0001252800000000, 0.0000454500000000, -0.0004476900000000 ] - [ -0.0000091700000000, -0.0007729400000000, 0.0002243400000000 ] - [ -0.0003002700000000, -0.0005440500000000, -0.0001774700000000 ] - [ -0.0001598400000000, -0.0001720200000000, 0.0005111500000000 ] - [ -0.0004691900000000, -0.0010951600000000, -0.0001122400000000 ] - [ -0.0000775200000000, 0.0005938900000000, 0.0012068700000000 ] - [ 0.0000014700000000, -0.0004627800000000, -0.0002388700000000 ] - [ 0.0000334300000000, -0.0004773300000000, -0.0003405900000000 ] - [ 0.0007993000000000, 0.0007132300000000, 0.0002769300000000 ] - [ 0.0004506200000000, -0.0001850200000000, -0.0000582300000000 ] - [ -0.0001995500000000, -0.0002188700000000, -0.0000625500000000 ] - [ -0.0004932800000000, -0.0005235400000000, 0.0001620300000000 ] - [ -0.0001742300000000, -0.0005999300000000, 0.0000238800000000 ] - [ 0.0001606700000000, 0.0046640600000000, -0.0000267900000000 ] - [ -0.0002855700000000, -0.0003509500000000, -0.0000185200000000 ] - [ 0.0000681000000000, 0.0003399100000000, -0.0001854400000000 ] - [ 0.0005987200000000, -0.0006302700000000, 0.0001040000000000 ] - [ -0.0005286600000000, -0.0044636800000000, -0.0001125300000000 ] - [ 0.0003155200000000, -0.0001617500000000, -0.0002608000000000 ] - [ 0.0017342500000000, 0.0017036200000000, 0.0022954600000000 ] - [ -0.0005605300000000, -0.0020675800000000, -0.0001600600000000 ] - [ -0.0000550500000000, 0.0005438100000000, 0.0002779000000000 ] - [ -0.0003741400000000, 0.0009287200000000, -0.0003591800000000 ] - [ 0.0000503400000000, 0.0008423400000000, 0.0003313800000000 ] - [ -0.0012556900000000, 0.0013445800000000, 0.0008541600000000 ] - [ 0.0027355600000000, 0.0020422300000000, 0.0000143300000000 ] - [ -0.0000201500000000, -0.0001472100000000, 0.0004495500000000 ] - [ -0.0005088600000000, -0.0009799600000000, 0.0000201400000000 ] - [ -0.0004930400000000, -0.0014287500000000, 0.0002553700000000 ] - [ 0.0002525400000000, -0.0005246900000000, 0.0001342100000000 ] - [ 0.0002072400000000, -0.0004015200000000, -0.0001746000000000 ] - [ -0.0000396000000000, 0.0004770300000000, -0.0011777400000000 ] - [ 0.0002152100000000, -0.0008499500000000, -0.0001024400000000 ] - [ 0.0000762400000000, 0.0000779200000000, 0.0000069400000000 ] - [ 0.0001692200000000, 0.0068137600000000, 0.0020471600000000 ] - [ -0.0001426000000000, 0.0011580100000000, 0.0000170000000000 ] - [ 0.0004385300000000, -0.0017294600000000, 0.0005913500000000 ] - [ -0.0010541900000000, -0.0008824300000000, -0.0033404800000000 ] - [ -0.0000319700000000, -0.0001204100000000, -0.0004109600000000 ] - [ 0.0026041400000000, 0.0039631500000000, -0.0028662000000000 ] - [ -0.0000680800000000, -0.0003621300000000, -0.0005282300000000 ] - [ -0.0000835200000000, -0.0003024200000000, 0.0002515300000000 ] - [ -0.0003609200000000, -0.0001009400000000, -0.0003040200000000 ] - [ 0.0002549500000000, -0.0001891200000000, -0.0002840300000000 ] - [ -0.0000250900000000, -0.0003545000000000, 0.0000780500000000 ] - [ 0.0001364900000000, -0.0007455400000000, -0.0000386100000000 ] - [ -0.0000590600000000, -0.0007391200000000, 0.0006711300000000 ] - [ 0.0002013800000000, -0.0003981900000000, -0.0001020800000000 ] - [ 0.0009839200000000, -0.0013339000000000, -0.0004471600000000 ] - [ -0.0003868800000000, 0.0010333700000000, -0.0002946600000000 ] - [ -0.0006374100000000, 0.0015739900000000, -0.0004008300000000 ] - [ -0.0008251300000000, 0.0043521200000000, -0.0002247100000000 ] - [ -0.0005204300000000, 0.0020890100000000, -0.0008293900000000 ] - [ -0.0003439400000000, -0.0005543700000000, -0.0006469400000000 ] - [ 0.0016454500000000, 0.0004531500000000, 0.0000119900000000 ] - [ 0.0001061700000000, -0.0003338800000000, -0.0002880200000000 ]- atom: 3 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000959200000000, -0.0003142300000000, 0.0001218400000000 ] - [ -0.0003725700000000, -0.0005966700000000, 0.0000154100000000 ] - [ 0.0009400400000000, 0.0298161200000000, 0.0034994200000000 ] - [ -0.0007789800000000, -0.0008546200000000, 0.0000838900000000 ] - [ 0.0000522200000000, -0.0004806300000000, -0.0003361100000000 ] - [ -0.0001109500000000, -0.0000018400000000, 0.0001753400000000 ] - [ -0.0002282500000000, -0.0001696400000000, -0.0002775400000000 ] - [ 0.0004544400000000, 0.0005422900000000, 0.0000741400000000 ] - [ -0.0000619600000000, -0.0001684200000000, 0.0001162800000000 ] - [ -0.0000152400000000, 0.0000862700000000, 0.0000257100000000 ] - [ 0.0000402700000000, 0.0001777200000000, 0.0001370300000000 ] - [ 0.0000451500000000, -0.0004611900000000, -0.0000307100000000 ] - [ 0.0004441600000000, -0.0006495100000000, 0.0000865900000000 ] - [ 0.0000982900000000, -0.0008078100000000, -0.0003920900000000 ] - [ 0.0003955500000000, -0.0007030400000000, 0.0001355500000000 ] - [ -0.0003205400000000, -0.0002866100000000, 0.0000875400000000 ] - [ -0.0000796000000000, -0.0000890400000000, -0.0001703200000000 ] - [ -0.0003774600000000, 0.0003323700000000, -0.0000895300000000 ] - [ -0.0003812100000000, -0.0001693800000000, -0.0000815300000000 ] - [ 0.0002690100000000, 0.0000778600000000, 0.0003373100000000 ] - [ 0.0002966400000000, -0.0002459100000000, -0.0000670900000000 ] - [ 0.0002508400000000, -0.0028302900000000, 0.0027774300000000 ] - [ -0.0009960000000000, 0.0009437300000000, -0.0002129600000000 ] - [ 0.0016292800000000, -0.0013659700000000, 0.0001994700000000 ] - [ 0.0003674500000000, -0.0009879500000000, 0.0002819500000000 ] - [ -0.0000334900000000, -0.0009769300000000, -0.0001002800000000 ] - [ 0.0033245000000000, 0.0039226800000000, -0.0022136100000000 ] - [ -0.0000609500000000, 0.0005149400000000, 0.0010263900000000 ] - [ 0.0002553500000000, -0.0016634400000000, -0.0005473700000000 ] - [ 0.0001142900000000, 0.0006799500000000, -0.0028123600000000 ] - [ -0.0001271800000000, -0.0006421600000000, 0.0008807800000000 ] - [ 0.0000161200000000, -0.0003230400000000, 0.0001525200000000 ] - [ -0.0001930100000000, -0.0006487600000000, 0.0004044400000000 ] - [ -0.0002363100000000, -0.0007594700000000, -0.0006338600000000 ] - [ 0.0003652400000000, -0.0014162700000000, 0.0000937800000000 ] - [ -0.0001756400000000, -0.0013439100000000, -0.0002847300000000 ] - [ -0.0001274500000000, 0.0054459100000000, 0.0009648100000000 ] - [ 0.0002014500000000, -0.0012730700000000, -0.0003120000000000 ] - [ -0.0002779100000000, 0.0004778700000000, 0.0012283500000000 ] - [ 0.0000549100000000, -0.0011603100000000, 0.0000444900000000 ] - [ 0.0000835800000000, 0.0004782200000000, -0.0002403900000000 ] - [ -0.0020072600000000, -0.0048498800000000, 0.0074590400000000 ] - [ -0.0048288800000000, -0.0002297700000000, -0.0042189100000000 ] - [ -0.0002527500000000, -0.0010221100000000, 0.0000716000000000 ] - [ -0.0002945600000000, 0.0011248700000000, 0.0000866200000000 ] - [ 0.0006506500000000, 0.0032030100000000, -0.0010399000000000 ] - [ -0.0000653900000000, 0.0002774300000000, 0.0003247100000000 ] - [ 0.0043367600000000, 0.0016983900000000, -0.0044409000000000 ] - [ -0.0001552200000000, -0.0014628700000000, 0.0001333500000000 ] - [ 0.0000617300000000, -0.0004508900000000, 0.0000865000000000 ] - [ -0.0004825500000000, -0.0076043300000000, -0.0089274300000000 ] - [ -0.0001480100000000, 0.0001195700000000, 0.0000433600000000 ] - [ 0.0003200300000000, 0.0010612000000000, 0.0000542000000000 ] - [ -0.0001929300000000, -0.0001879600000000, 0.0002690000000000 ] - [ 0.0002827500000000, 0.0001862300000000, -0.0000241800000000 ] - [ 0.0005212400000000, -0.0010449100000000, -0.0007028200000000 ] - [ 0.0004984300000000, -0.0034144600000000, -0.0015986300000000 ] - [ 0.0000909800000000, -0.0011244800000000, 0.0001381000000000 ] - [ -0.0001658200000000, 0.0018782700000000, -0.0000342500000000 ] - [ -0.0003006100000000, -0.0003462800000000, 0.0000241300000000 ] - [ -0.0003737900000000, 0.0002702000000000, -0.0001199300000000 ] - [ -0.0002601300000000, -0.0004429600000000, 0.0007654000000000 ] - [ 0.0000084200000000, -0.0003302900000000, 0.0000945500000000 ] - [ 0.0040563800000000, 0.0033453000000000, 0.0023670900000000 ] - [ -0.0005918100000000, -0.0004120400000000, -0.0003011400000000 ] - [ 0.0000068700000000, 0.0001927500000000, -0.0002552900000000 ] - [ -0.0097044400000000, 0.0018431800000000, 0.0054883500000000 ] - [ 0.0006676500000000, 0.0004036300000000, 0.0003548100000000 ] - [ 0.0000308600000000, 0.0000559100000000, 0.0001288100000000 ] - [ -0.0000670400000000, -0.0003729200000000, 0.0001283800000000 ] - [ 0.0042425000000000, 0.0007936100000000, 0.0031277200000000 ] - [ 0.0003181100000000, -0.0001112700000000, 0.0000750400000000 ] - [ 0.0001531000000000, 0.0003139000000000, -0.0003206300000000 ] - [ 0.0000044600000000, -0.0001927300000000, 0.0001901800000000 ] - [ 0.0004665400000000, -0.0002705300000000, -0.0003484100000000 ] - [ -0.0003538100000000, -0.0005098800000000, -0.0001298200000000 ] - [ 0.0000416800000000, -0.0010242200000000, -0.0000886900000000 ] - [ -0.0003176500000000, -0.0007461800000000, -0.0000333100000000 ] - [ -0.0018214000000000, 0.0007581000000000, 0.0010776500000000 ] - [ 0.0002996800000000, 0.0000288500000000, -0.0002352800000000 ] - [ 0.0001299000000000, 0.0005760200000000, -0.0001154200000000 ] - [ 0.0000405500000000, -0.0002052100000000, 0.0004245500000000 ] - [ -0.0001387100000000, 0.0003742500000000, 0.0001881700000000 ] - [ -0.0002071100000000, 0.0005578600000000, -0.0002535100000000 ] - [ -0.0003457600000000, -0.0001365900000000, 0.0007104400000000 ] - [ 0.0002366900000000, 0.0003050300000000, -0.0000283600000000 ] - [ 0.0000330700000000, 0.0003090300000000, -0.0000118600000000 ] - [ -0.0005507900000000, 0.0006385700000000, -0.0000527700000000 ] - [ -0.0002598300000000, 0.0001903100000000, 0.0004313300000000 ] - [ -0.0001163000000000, -0.0001829200000000, 0.0002605900000000 ] - [ 0.0000783700000000, -0.0005006300000000, 0.0002068200000000 ] - [ -0.0000015400000000, 0.0006687900000000, 0.0000255800000000 ] - [ 0.0000149100000000, 0.0008223500000000, 0.0004461800000000 ] - [ 0.0004705700000000, -0.0005130600000000, 0.0003887800000000 ] - [ -0.0000793800000000, -0.0013739800000000, 0.0001003400000000 ] - [ 0.0001356300000000, -0.0016406700000000, -0.0007152700000000 ] - [ -0.0000638800000000, 0.0006831100000000, 0.0001904900000000 ] - [ 0.0000821500000000, -0.0000361800000000, -0.0002454700000000 ] - [ -0.0012934800000000, 0.0000910800000000, -0.0020489100000000 ] - [ -0.0000559100000000, -0.0004089000000000, 0.0000225200000000 ] - [ 0.0001103100000000, -0.0001075700000000, -0.0006684600000000 ] - [ 0.0010602000000000, -0.0016323200000000, -0.0031853200000000 ] - [ 0.0003371400000000, 0.0003629100000000, 0.0002516000000000 ] - [ -0.0001043400000000, -0.0000221300000000, 0.0002704500000000 ] - [ -0.0001070200000000, -0.0000763500000000, -0.0003112400000000 ] - [ 0.0001408300000000, -0.0003816700000000, 0.0000724900000000 ] - [ 0.0011419400000000, -0.0042071500000000, -0.0000958400000000 ] - [ 0.0000236700000000, -0.0000159500000000, 0.0002314200000000 ] - [ 0.0003172200000000, -0.0010739800000000, 0.0001758900000000 ] - [ 0.0029863300000000, -0.0000473400000000, -0.0006449700000000 ] - [ -0.0000983100000000, -0.0000600900000000, 0.0003050600000000 ] - [ 0.0002307400000000, 0.0004871900000000, 0.0000279700000000 ] - [ 0.0001630500000000, 0.0006928600000000, -0.0005719500000000 ] - [ -0.0000784200000000, 0.0011987800000000, 0.0001431000000000 ] - [ -0.0003168400000000, -0.0003457200000000, 0.0006472700000000 ] - [ 0.0005564300000000, 0.0006162700000000, -0.0003790300000000 ] - [ 0.0000929200000000, -0.0008329900000000, 0.0002164700000000 ] - [ 0.0001718900000000, 0.0007414000000000, 0.0002210500000000 ] - [ 0.0002729100000000, -0.0000873800000000, 0.0000739400000000 ] - [ 0.0003660700000000, -0.0002923100000000, 0.0003935200000000 ] - [ -0.0005980400000000, 0.0007581300000000, 0.0003822800000000 ] - [ -0.0002664800000000, 0.0005326900000000, 0.0001073000000000 ] - [ -0.0000247600000000, 0.0004024700000000, -0.0001552700000000 ] - [ 0.0003817000000000, 0.0005029900000000, -0.0003967100000000 ] - [ 0.0000835100000000, 0.0002288800000000, 0.0000530100000000 ] - [ -0.0001553000000000, -0.0007243700000000, -0.0014862100000000 ] - [ -0.0000710000000000, 0.0003404200000000, -0.0004240700000000 ] - [ -0.0002639100000000, 0.0006141700000000, 0.0000571200000000 ] - [ 0.0001434700000000, -0.0005701400000000, -0.0001534800000000 ] - [ 0.0005148800000000, 0.0007723300000000, -0.0000738100000000 ] - [ -0.0002866800000000, 0.0001469900000000, -0.0001543900000000 ] - [ 0.0002560300000000, 0.0004338600000000, 0.0000314000000000 ] - [ -0.0000420600000000, 0.0002707500000000, -0.0001405000000000 ] - [ -0.0000142200000000, -0.0034810500000000, -0.0003198800000000 ] - [ -0.0006551900000000, 0.0004928800000000, -0.0001047600000000 ] - [ 0.0002093900000000, 0.0007475400000000, -0.0001631400000000 ] - [ 0.0003452900000000, 0.0004858000000000, 0.0000191800000000 ] - [ 0.0009148200000000, 0.0044135600000000, -0.0002896800000000 ] - [ -0.0000975400000000, 0.0012893300000000, -0.0001068700000000 ] - [ -0.0026933100000000, -0.0017894700000000, -0.0024521300000000 ] - [ 0.0002839300000000, 0.0009784600000000, 0.0005146700000000 ] - [ -0.0005089100000000, -0.0006294400000000, -0.0004867500000000 ] - [ 0.0003064100000000, -0.0008097300000000, -0.0003059000000000 ] - [ -0.0006037100000000, -0.0006657700000000, 0.0001430800000000 ] - [ 0.0010340700000000, -0.0002025400000000, -0.0004814100000000 ] - [ -0.0022489500000000, -0.0019356600000000, -0.0002649200000000 ] - [ -0.0002122100000000, 0.0000143900000000, -0.0000248200000000 ] - [ -0.0004566800000000, 0.0003924000000000, 0.0001121000000000 ] - [ 0.0000183000000000, 0.0006230500000000, -0.0003191300000000 ] - [ -0.0000243300000000, 0.0003863200000000, 0.0001457700000000 ] - [ 0.0000242800000000, 0.0002684000000000, -0.0002493000000000 ] - [ 0.0002719000000000, -0.0003471700000000, 0.0007554900000000 ] - [ 0.0002669100000000, 0.0003422200000000, -0.0007332800000000 ] - [ 0.0003110700000000, 0.0007884300000000, 0.0000520800000000 ] - [ -0.0007272400000000, -0.0067149700000000, -0.0016115100000000 ] - [ -0.0001340200000000, -0.0009176900000000, 0.0003160800000000 ] - [ -0.0001666600000000, 0.0009486400000000, -0.0003454600000000 ] - [ 0.0015399500000000, 0.0008079800000000, 0.0035343000000000 ] - [ 0.0003625100000000, -0.0004176800000000, -0.0001729500000000 ] - [ -0.0023008500000000, -0.0042108300000000, 0.0025054400000000 ] - [ 0.0001991800000000, 0.0003434900000000, -0.0003056700000000 ] - [ -0.0000670100000000, 0.0014799900000000, 0.0000866800000000 ] - [ 0.0001428000000000, 0.0004331900000000, 0.0001859800000000 ] - [ 0.0001376200000000, 0.0002560600000000, -0.0001312400000000 ] - [ -0.0004621900000000, 0.0004600100000000, 0.0001748900000000 ] - [ -0.0003689700000000, 0.0008784800000000, 0.0004642500000000 ] - [ -0.0000726500000000, 0.0007608400000000, 0.0001594900000000 ] - [ 0.0000733800000000, 0.0006374500000000, -0.0002297900000000 ] - [ -0.0007662300000000, 0.0009982200000000, 0.0005692900000000 ] - [ 0.0013635000000000, -0.0016175600000000, 0.0001639800000000 ] - [ -0.0003251100000000, -0.0009865800000000, 0.0005338100000000 ] - [ 0.0013791400000000, -0.0045372000000000, -0.0002425400000000 ] - [ 0.0001964300000000, -0.0020366600000000, 0.0004031900000000 ] - [ -0.0002277800000000, 0.0005270400000000, 0.0000738000000000 ] - [ -0.0012570300000000, -0.0013145900000000, 0.0000503100000000 ] - [ 0.0004478900000000, 0.0005072400000000, -0.0001840800000000 ]- atom: 3 displacement: [ -0.0035230240541542, 0.0000000000000000, 0.0093588621911988 ] forces: - [ 0.0000960900000000, -0.0001272300000000, 0.0002440100000000 ] - [ -0.0000554700000000, -0.0000579300000000, -0.0003576900000000 ] - [ 0.0264257600000000, -0.0033577800000000, -0.0407153800000000 ] - [ 0.0002120300000000, -0.0003355700000000, -0.0003308200000000 ] - [ -0.0001619100000000, -0.0001286400000000, 0.0001471800000000 ] - [ -0.0005990500000000, -0.0003666900000000, -0.0000851100000000 ] - [ 0.0000363300000000, 0.0002942900000000, 0.0000338200000000 ] - [ 0.0002149600000000, 0.0001303500000000, 0.0008331300000000 ] - [ -0.0001006900000000, -0.0002749000000000, 0.0002408500000000 ] - [ -0.0000397200000000, 0.0000715000000000, 0.0004275400000000 ] - [ 0.0000411200000000, 0.0003358800000000, 0.0003148100000000 ] - [ 0.0000385700000000, -0.0001065200000000, -0.0000316500000000 ] - [ 0.0004478700000000, -0.0001321000000000, -0.0000189200000000 ] - [ 0.0000761000000000, 0.0004438200000000, -0.0001631400000000 ] - [ -0.0000285900000000, 0.0000889300000000, -0.0002896600000000 ] - [ -0.0003174800000000, 0.0000128600000000, 0.0001156900000000 ] - [ -0.0000984800000000, -0.0001250500000000, 0.0005115900000000 ] - [ -0.0004899700000000, -0.0001641900000000, 0.0001829100000000 ] - [ -0.0004221300000000, 0.0001680300000000, -0.0001536600000000 ] - [ 0.0002520600000000, -0.0000382600000000, 0.0002132200000000 ] - [ 0.0002804000000000, 0.0000150400000000, 0.0000490000000000 ] - [ 0.0009212000000000, -0.0020216500000000, -0.0000186900000000 ] - [ 0.0005395400000000, 0.0000279100000000, 0.0000035400000000 ] - [ -0.0003112300000000, 0.0007633300000000, -0.0008163500000000 ] - [ 0.0002069100000000, 0.0002940800000000, 0.0007485500000000 ] - [ 0.0001225200000000, 0.0000592400000000, 0.0002754500000000 ] - [ -0.0072491600000000, 0.0016941700000000, 0.0066422000000000 ] - [ 0.0005515100000000, -0.0007401000000000, 0.0002542300000000 ] - [ -0.0000282200000000, 0.0015227400000000, -0.0006390900000000 ] - [ 0.0004515600000000, 0.0010646000000000, 0.0019035100000000 ] - [ 0.0000595400000000, -0.0002247800000000, 0.0006770300000000 ] - [ -0.0001606300000000, -0.0000767400000000, 0.0003126800000000 ] - [ -0.0001573200000000, 0.0006275900000000, 0.0005043500000000 ] - [ -0.0004815900000000, 0.0005562800000000, -0.0005510900000000 ] - [ 0.0000387700000000, -0.0003294000000000, -0.0003437300000000 ] - [ 0.0000351500000000, -0.0003076900000000, -0.0006522800000000 ] - [ 0.0025004200000000, -0.0014051100000000, 0.0110772800000000 ] - [ 0.0002300700000000, -0.0004834600000000, -0.0000353200000000 ] - [ -0.0007137100000000, -0.0014266300000000, 0.0036622200000000 ] - [ 0.0001467100000000, -0.0001548800000000, -0.0001589300000000 ] - [ -0.0003998000000000, 0.0004404900000000, 0.0008535300000000 ] - [ 0.0007201300000000, -0.0057202800000000, -0.0004144900000000 ] - [ 0.0035326400000000, 0.0016838000000000, -0.0026545300000000 ] - [ -0.0002484600000000, 0.0001301500000000, -0.0002703200000000 ] - [ 0.0004759700000000, -0.0001611500000000, 0.0017227000000000 ] - [ -0.0031347500000000, 0.0009839600000000, -0.0031140500000000 ] - [ -0.0010594700000000, -0.0006940300000000, -0.0003398200000000 ] - [ -0.0068167700000000, 0.0049485300000000, 0.0038919900000000 ] - [ -0.0000783400000000, -0.0005063000000000, -0.0000434400000000 ] - [ 0.0000672100000000, 0.0003034000000000, 0.0000966900000000 ] - [ 0.0043935900000000, 0.0083313700000000, -0.0013535700000000 ] - [ -0.0006654800000000, 0.0007500400000000, 0.0021722800000000 ] - [ -0.0007599400000000, 0.0007879200000000, 0.0003383500000000 ] - [ -0.0002726900000000, 0.0003369400000000, 0.0001623900000000 ] - [ -0.0004519700000000, -0.0004953300000000, -0.0000026200000000 ] - [ 0.0000404000000000, -0.0003465100000000, -0.0003461100000000 ] - [ -0.0001962400000000, 0.0050638700000000, 0.0002140500000000 ] - [ 0.0003496400000000, -0.0002119400000000, -0.0002268400000000 ] - [ 0.0009804200000000, -0.0001613400000000, 0.0009312400000000 ] - [ 0.0002284900000000, -0.0001794300000000, 0.0002023200000000 ] - [ -0.0000195100000000, 0.0001175500000000, 0.0006230900000000 ] - [ 0.0001261600000000, 0.0000388700000000, -0.0002140500000000 ] - [ -0.0001127700000000, 0.0001738100000000, 0.0001131300000000 ] - [ 0.0030303900000000, -0.0011463500000000, -0.0007336300000000 ] - [ -0.0001022000000000, 0.0000106200000000, -0.0005248700000000 ] - [ -0.0006078800000000, 0.0007174600000000, -0.0010757100000000 ] - [ -0.0088362400000000, -0.0080862600000000, -0.0000778700000000 ] - [ 0.0003554200000000, -0.0001822600000000, 0.0010668300000000 ] - [ -0.0002693200000000, 0.0002659600000000, -0.0000914300000000 ] - [ 0.0001719500000000, 0.0000954700000000, 0.0001778500000000 ] - [ -0.0013118600000000, -0.0002858100000000, -0.0029437100000000 ] - [ 0.0002396900000000, 0.0000961400000000, 0.0000504600000000 ] - [ 0.0006744900000000, -0.0001953300000000, 0.0010436400000000 ] - [ -0.0001920200000000, 0.0001221400000000, 0.0006878700000000 ] - [ 0.0001889900000000, 0.0000295500000000, -0.0000711900000000 ] - [ -0.0000248700000000, -0.0000985300000000, 0.0004477700000000 ] - [ -0.0000971700000000, 0.0000674400000000, -0.0001025500000000 ] - [ -0.0001818700000000, -0.0008682500000000, -0.0000186200000000 ] - [ -0.0060099200000000, -0.0034646400000000, 0.0013884100000000 ] - [ -0.0003217700000000, 0.0010828500000000, 0.0001989200000000 ] - [ 0.0001458700000000, 0.0005609400000000, -0.0001205400000000 ] - [ 0.0003611200000000, -0.0003649200000000, -0.0020370100000000 ] - [ -0.0003448400000000, -0.0001037200000000, 0.0001087600000000 ] - [ -0.0002043500000000, 0.0005504000000000, -0.0002700600000000 ] - [ 0.0005110700000000, -0.0010991400000000, -0.0005764000000000 ] - [ 0.0002471700000000, 0.0000769200000000, -0.0000389200000000 ] - [ 0.0002693100000000, -0.0001310400000000, -0.0002887900000000 ] - [ -0.0001831700000000, -0.0000223900000000, 0.0000203300000000 ] - [ -0.0001554200000000, -0.0001670400000000, -0.0000435700000000 ] - [ 0.0010126000000000, -0.0008486400000000, 0.0002319900000000 ] - [ -0.0004047500000000, 0.0000966300000000, -0.0008810100000000 ] - [ 0.0001694600000000, 0.0010921500000000, -0.0001241800000000 ] - [ -0.0002823700000000, 0.0001963000000000, 0.0006703000000000 ] - [ 0.0007502900000000, -0.0002083900000000, 0.0015935900000000 ] - [ 0.0002228100000000, -0.0008807900000000, -0.0003829300000000 ] - [ -0.0004664800000000, -0.0000724200000000, -0.0009582000000000 ] - [ 0.0004047300000000, -0.0001005800000000, -0.0000258500000000 ] - [ 0.0001123100000000, -0.0005451500000000, -0.0001686700000000 ] - [ -0.0008048200000000, 0.0002454400000000, 0.0018901000000000 ] - [ 0.0009760000000000, 0.0004671200000000, -0.0011104000000000 ] - [ 0.0002015200000000, 0.0000874800000000, -0.0012000800000000 ] - [ 0.0023033300000000, 0.0026197200000000, -0.0028309000000000 ] - [ 0.0002469800000000, -0.0000351100000000, 0.0000336600000000 ] - [ -0.0001510000000000, -0.0006832800000000, 0.0001278200000000 ] - [ 0.0003218500000000, -0.0003314400000000, 0.0000117100000000 ] - [ -0.0002367400000000, 0.0000201800000000, -0.0005561000000000 ] - [ -0.0008327300000000, 0.0004390600000000, 0.0033326700000000 ] - [ 0.0007184500000000, -0.0000529300000000, -0.0015292500000000 ] - [ 0.0012939100000000, -0.0008154500000000, -0.0019338100000000 ] - [ -0.0003615900000000, 0.0028176000000000, 0.0041884600000000 ] - [ -0.0001640900000000, -0.0002702400000000, -0.0000774600000000 ] - [ 0.0003845900000000, -0.0000015000000000, 0.0002433800000000 ] - [ 0.0001341500000000, 0.0003953800000000, -0.0004107300000000 ] - [ -0.0000561300000000, 0.0003093800000000, 0.0003281800000000 ] - [ -0.0002517600000000, -0.0002949200000000, -0.0004219800000000 ] - [ 0.0000551100000000, 0.0000681500000000, 0.0000694300000000 ] - [ -0.0006820500000000, -0.0004001800000000, -0.0011828700000000 ] - [ 0.0001996200000000, 0.0002148100000000, 0.0002071300000000 ] - [ 0.0000040100000000, -0.0006166400000000, 0.0001529500000000 ] - [ -0.0000333300000000, -0.0000990500000000, -0.0002007700000000 ] - [ -0.0001213400000000, -0.0001182900000000, -0.0003459800000000 ] - [ -0.0000195400000000, -0.0002514000000000, 0.0002227600000000 ] - [ -0.0000471200000000, 0.0003540100000000, -0.0001832100000000 ] - [ 0.0001244700000000, 0.0008298500000000, -0.0002418500000000 ] - [ -0.0003774900000000, -0.0006603500000000, 0.0000120800000000 ] - [ -0.0004013800000000, 0.0010287400000000, -0.0013434300000000 ] - [ -0.0000498300000000, 0.0000968700000000, -0.0004220500000000 ] - [ -0.0000356100000000, -0.0000285000000000, -0.0000438900000000 ] - [ 0.0008034300000000, 0.0001186400000000, -0.0002868700000000 ] - [ 0.0004059300000000, 0.0002638300000000, -0.0001337900000000 ] - [ -0.0002667000000000, -0.0000363900000000, -0.0004562100000000 ] - [ -0.0001844700000000, -0.0001005000000000, 0.0002646600000000 ] - [ -0.0000361800000000, 0.0001251700000000, 0.0001033800000000 ] - [ -0.0020281400000000, 0.0004909200000000, -0.0005138400000000 ] - [ -0.0003992400000000, -0.0000004300000000, -0.0001072900000000 ] - [ 0.0000316100000000, 0.0003641400000000, -0.0002515500000000 ] - [ 0.0004737600000000, -0.0001535600000000, 0.0001622300000000 ] - [ -0.0015257700000000, -0.0013368800000000, 0.0046500000000000 ] - [ 0.0002870900000000, 0.0002683600000000, -0.0001362400000000 ] - [ -0.0021782300000000, 0.0009317500000000, 0.0009023000000000 ] - [ -0.0011760900000000, -0.0026275100000000, 0.0007463000000000 ] - [ -0.0008243500000000, 0.0003673500000000, -0.0012035400000000 ] - [ 0.0001735900000000, 0.0003966600000000, 0.0005016900000000 ] - [ 0.0013789200000000, -0.0007667800000000, 0.0008133300000000 ] - [ 0.0014523700000000, 0.0031802000000000, 0.0002496600000000 ] - [ 0.0014717400000000, 0.0003837100000000, 0.0006254600000000 ] - [ -0.0000291600000000, 0.0003615600000000, -0.0009564000000000 ] - [ -0.0004755700000000, -0.0004601600000000, 0.0000872500000000 ] - [ -0.0001916900000000, 0.0000876500000000, 0.0000084100000000 ] - [ 0.0002192900000000, -0.0001168200000000, 0.0004369700000000 ] - [ 0.0002051100000000, 0.0001349400000000, -0.0000412100000000 ] - [ -0.0002327700000000, -0.0000474600000000, -0.0005559300000000 ] - [ 0.0002069400000000, -0.0000190400000000, -0.0002112500000000 ] - [ 0.0002133300000000, 0.0003876500000000, -0.0000611600000000 ] - [ -0.0032681400000000, 0.0023737600000000, 0.0049150300000000 ] - [ -0.0010088600000000, 0.0000144600000000, -0.0006464400000000 ] - [ -0.0001513700000000, 0.0001897800000000, 0.0002915800000000 ] - [ -0.0011879500000000, -0.0017388800000000, -0.0008461400000000 ] - [ 0.0003030100000000, -0.0005865500000000, -0.0001744300000000 ] - [ -0.0070364800000000, -0.0027913500000000, 0.0093975000000000 ] - [ 0.0000254800000000, -0.0001325300000000, -0.0002331900000000 ] - [ -0.0001199300000000, 0.0005249800000000, 0.0002984100000000 ] - [ -0.0003500800000000, -0.0001572000000000, -0.0003058900000000 ] - [ 0.0002443700000000, -0.0000142500000000, -0.0005674800000000 ] - [ -0.0001619800000000, -0.0000052800000000, -0.0000100300000000 ] - [ -0.0000683300000000, -0.0000805100000000, 0.0004828800000000 ] - [ -0.0001821200000000, -0.0000419600000000, 0.0011113000000000 ] - [ 0.0001419600000000, 0.0000959000000000, -0.0002015900000000 ] - [ 0.0007559300000000, -0.0021267200000000, -0.0000709800000000 ] - [ 0.0037736600000000, -0.0001787800000000, 0.0003712100000000 ] - [ -0.0009113500000000, 0.0004073700000000, -0.0014467900000000 ] - [ 0.0036390500000000, 0.0001310600000000, 0.0016029600000000 ] - [ -0.0014534900000000, -0.0005350700000000, 0.0018665400000000 ] - [ -0.0003404800000000, -0.0002449700000000, -0.0006376300000000 ] - [ -0.0010029100000000, -0.0002308300000000, 0.0013233200000000 ] - [ 0.0001684000000000, 0.0000070600000000, -0.0004282600000000 ]- atom: 3 displacement: [ 0.0035230240541542, 0.0000000000000000, -0.0093588621911988 ] forces: - [ 0.0000937900000000, -0.0000860600000000, -0.0000593800000000 ] - [ -0.0000713000000000, 0.0004991100000000, 0.0003019300000000 ] - [ -0.0260568100000000, 0.0030298500000000, 0.0412227500000000 ] - [ -0.0001210900000000, -0.0003298600000000, 0.0006104000000000 ] - [ 0.0000693500000000, -0.0005364800000000, -0.0004263200000000 ] - [ 0.0004075600000000, 0.0001532200000000, -0.0001024700000000 ] - [ -0.0002262200000000, -0.0000808400000000, -0.0002182200000000 ] - [ 0.0006514000000000, 0.0002064000000000, -0.0006161500000000 ] - [ 0.0001596900000000, 0.0001721100000000, -0.0003546500000000 ] - [ -0.0000182000000000, 0.0000312700000000, -0.0003135900000000 ] - [ 0.0000506600000000, 0.0003290900000000, -0.0000352300000000 ] - [ 0.0000887400000000, -0.0003322600000000, 0.0000876100000000 ] - [ 0.0004188500000000, -0.0002034500000000, 0.0002360200000000 ] - [ -0.0000178500000000, -0.0003407400000000, 0.0000485500000000 ] - [ -0.0000310200000000, -0.0001898000000000, 0.0004030600000000 ] - [ -0.0002987300000000, -0.0000223400000000, 0.0000304900000000 ] - [ -0.0000296100000000, -0.0003154300000000, -0.0005680200000000 ] - [ -0.0003757800000000, -0.0001717000000000, -0.0003986400000000 ] - [ -0.0004448100000000, 0.0001682500000000, -0.0000637900000000 ] - [ -0.0001246300000000, 0.0004766700000000, -0.0001553400000000 ] - [ 0.0003358400000000, -0.0000053700000000, -0.0001952500000000 ] - [ -0.0010079700000000, 0.0026860700000000, -0.0002755500000000 ] - [ -0.0011562300000000, -0.0000206000000000, 0.0001357300000000 ] - [ 0.0005042800000000, -0.0005527500000000, 0.0009996700000000 ] - [ 0.0003175200000000, -0.0006135200000000, 0.0001703200000000 ] - [ -0.0000542100000000, -0.0005312400000000, 0.0000126400000000 ] - [ 0.0067935100000000, -0.0026857900000000, -0.0059215200000000 ] - [ -0.0010707200000000, 0.0004155500000000, -0.0011820000000000 ] - [ -0.0000417500000000, -0.0010481200000000, 0.0003532500000000 ] - [ -0.0002635600000000, -0.0007426500000000, -0.0027739800000000 ] - [ -0.0002453600000000, 0.0005380500000000, 0.0001923600000000 ] - [ 0.0002765300000000, 0.0004510100000000, -0.0002271600000000 ] - [ -0.0002158200000000, 0.0003986200000000, 0.0001605400000000 ] - [ -0.0000424400000000, -0.0002351600000000, -0.0003661700000000 ] - [ -0.0001552900000000, -0.0000450000000000, 0.0002573500000000 ] - [ 0.0001506600000000, -0.0000058300000000, -0.0002173600000000 ] - [ -0.0021459800000000, 0.0016038700000000, -0.0112871900000000 ] - [ 0.0001419000000000, -0.0005413000000000, -0.0006288500000000 ] - [ 0.0006384800000000, 0.0009443200000000, -0.0039460500000000 ] - [ 0.0002507100000000, -0.0000277200000000, 0.0000716500000000 ] - [ 0.0002822500000000, -0.0000649900000000, -0.0009433600000000 ] - [ -0.0002121200000000, 0.0060676400000000, 0.0013488600000000 ] - [ -0.0034098200000000, -0.0020468200000000, 0.0027699600000000 ] - [ -0.0001496200000000, 0.0000548800000000, 0.0003571100000000 ] - [ -0.0008723200000000, -0.0000223400000000, -0.0016368700000000 ] - [ 0.0035077900000000, 0.0000340800000000, 0.0024553400000000 ] - [ 0.0011345600000000, 0.0011672900000000, 0.0006314100000000 ] - [ 0.0066933200000000, -0.0053207400000000, -0.0030336700000000 ] - [ -0.0002398100000000, 0.0000304700000000, -0.0000098800000000 ] - [ 0.0000035700000000, 0.0000918400000000, 0.0000719900000000 ] - [ -0.0039352000000000, -0.0082196300000000, 0.0006348800000000 ] - [ 0.0009640600000000, -0.0008867900000000, -0.0016294400000000 ] - [ 0.0011759900000000, -0.0001262800000000, -0.0005775000000000 ] - [ -0.0001471900000000, 0.0003255600000000, 0.0000762800000000 ] - [ 0.0007696100000000, 0.0000205100000000, 0.0000572600000000 ] - [ 0.0002598100000000, -0.0004339700000000, -0.0001095500000000 ] - [ 0.0002268000000000, -0.0044567400000000, -0.0004439500000000 ] - [ 0.0000703100000000, -0.0004496400000000, -0.0000120400000000 ] - [ -0.0010425500000000, 0.0005526500000000, -0.0010916000000000 ] - [ -0.0002600700000000, -0.0004317300000000, 0.0000137700000000 ] - [ -0.0002746100000000, 0.0000164800000000, -0.0011642300000000 ] - [ 0.0001680200000000, 0.0000950200000000, 0.0007564800000000 ] - [ 0.0000801900000000, 0.0004382300000000, 0.0001032800000000 ] - [ -0.0034370100000000, 0.0004846700000000, 0.0009840000000000 ] - [ -0.0001908500000000, -0.0001431300000000, -0.0000200600000000 ] - [ 0.0008596600000000, -0.0009752400000000, 0.0009321000000000 ] - [ 0.0084795300000000, 0.0082457500000000, 0.0001783600000000 ] - [ -0.0000561600000000, 0.0009640800000000, -0.0015253800000000 ] - [ -0.0000315300000000, 0.0005148800000000, 0.0005469600000000 ] - [ 0.0000814900000000, 0.0001647100000000, -0.0003197100000000 ] - [ 0.0008363900000000, 0.0002209400000000, 0.0036119500000000 ] - [ 0.0000766100000000, 0.0003801500000000, 0.0000032600000000 ] - [ -0.0009787600000000, -0.0005885600000000, -0.0005858200000000 ] - [ -0.0002579000000000, -0.0000536000000000, 0.0000056500000000 ] - [ 0.0002613600000000, -0.0000992400000000, -0.0006239200000000 ] - [ -0.0002286300000000, -0.0001612500000000, -0.0003059200000000 ] - [ 0.0000261100000000, -0.0004624500000000, -0.0000660400000000 ] - [ 0.0002145000000000, 0.0002545700000000, -0.0001979100000000 ] - [ 0.0061113700000000, 0.0030769000000000, -0.0012636300000000 ] - [ 0.0000059100000000, -0.0006042200000000, -0.0002535000000000 ] - [ 0.0003281000000000, 0.0002417200000000, 0.0001867200000000 ] - [ -0.0004925600000000, 0.0003484300000000, 0.0028700300000000 ] - [ -0.0002078600000000, -0.0000672400000000, 0.0003648200000000 ] - [ -0.0000680300000000, 0.0002262500000000, 0.0000284400000000 ] - [ -0.0004429400000000, 0.0009720300000000, 0.0012399400000000 ] - [ 0.0002382700000000, -0.0000058000000000, 0.0002533100000000 ] - [ 0.0002184500000000, 0.0000242600000000, 0.0000362600000000 ] - [ -0.0003783800000000, 0.0001090900000000, -0.0002272200000000 ] - [ -0.0002362800000000, 0.0000978500000000, 0.0004557700000000 ] - [ -0.0005402900000000, 0.0000476200000000, -0.0001704700000000 ] - [ 0.0006341700000000, 0.0000438400000000, 0.0011614800000000 ] - [ -0.0004454900000000, -0.0000035400000000, 0.0004728800000000 ] - [ -0.0001989400000000, 0.0003152000000000, 0.0001650900000000 ] - [ -0.0001798200000000, 0.0001822000000000, -0.0010205000000000 ] - [ -0.0003733400000000, -0.0002992000000000, 0.0007221900000000 ] - [ 0.0006816400000000, -0.0010482200000000, 0.0005878800000000 ] - [ -0.0001353300000000, 0.0008765700000000, 0.0002696000000000 ] - [ 0.0000392700000000, -0.0006332500000000, -0.0001697900000000 ] - [ 0.0004132400000000, -0.0001796500000000, -0.0014599100000000 ] - [ -0.0013592100000000, 0.0004005600000000, 0.0010506200000000 ] - [ -0.0000715500000000, -0.0000690900000000, 0.0003661300000000 ] - [ -0.0028726100000000, -0.0025772600000000, 0.0022710500000000 ] - [ 0.0003232500000000, 0.0000622900000000, 0.0005383600000000 ] - [ -0.0000682400000000, -0.0004441600000000, 0.0002404800000000 ] - [ -0.0000484900000000, -0.0007524200000000, -0.0003597100000000 ] - [ -0.0000018200000000, 0.0000693900000000, 0.0007488400000000 ] - [ 0.0003785100000000, -0.0003787400000000, -0.0035505400000000 ] - [ -0.0002399100000000, 0.0005653200000000, 0.0006934500000000 ] - [ -0.0010632000000000, 0.0007308100000000, 0.0017457400000000 ] - [ 0.0000041400000000, -0.0022728900000000, -0.0035756600000000 ] - [ -0.0001689900000000, -0.0002733400000000, 0.0006645100000000 ] - [ 0.0001819500000000, -0.0000889000000000, -0.0000357700000000 ] - [ 0.0001976200000000, 0.0001453800000000, -0.0001739800000000 ] - [ 0.0001250300000000, -0.0001859500000000, 0.0003347200000000 ] - [ -0.0002286900000000, -0.0002179100000000, 0.0012586200000000 ] - [ 0.0001807500000000, 0.0000199300000000, -0.0002617300000000 ] - [ 0.0012541300000000, 0.0004950000000000, 0.0013930800000000 ] - [ 0.0001252600000000, -0.0000775000000000, 0.0001252700000000 ] - [ -0.0002780000000000, -0.0001602000000000, -0.0003971100000000 ] - [ 0.0003588000000000, -0.0000424900000000, 0.0005338000000000 ] - [ -0.0003530800000000, 0.0009195100000000, 0.0002820800000000 ] - [ -0.0002564100000000, 0.0000110600000000, 0.0001084200000000 ] - [ -0.0002786000000000, -0.0004931500000000, -0.0001488600000000 ] - [ 0.0000935100000000, -0.0004954500000000, 0.0003599200000000 ] - [ -0.0000087900000000, -0.0002063100000000, -0.0000722200000000 ] - [ 0.0001709600000000, -0.0011728200000000, 0.0010628900000000 ] - [ -0.0000195800000000, -0.0002181500000000, -0.0002408200000000 ] - [ -0.0001952100000000, 0.0001660200000000, -0.0002378900000000 ] - [ 0.0001419800000000, 0.0000262800000000, 0.0004119500000000 ] - [ 0.0005596200000000, 0.0003230900000000, 0.0000021100000000 ] - [ -0.0002190300000000, -0.0000351300000000, 0.0002410100000000 ] - [ -0.0000521400000000, 0.0000114200000000, -0.0000718200000000 ] - [ -0.0001800300000000, -0.0004567100000000, -0.0002210000000000 ] - [ 0.0021853800000000, 0.0006879300000000, 0.0001601700000000 ] - [ -0.0005420500000000, 0.0001418900000000, -0.0000155900000000 ] - [ 0.0002461000000000, 0.0007208000000000, -0.0000963500000000 ] - [ 0.0004698000000000, 0.0000094700000000, -0.0000394500000000 ] - [ 0.0019152100000000, 0.0012771700000000, -0.0050571900000000 ] - [ -0.0000682300000000, 0.0008595100000000, -0.0002321800000000 ] - [ 0.0012299600000000, -0.0010468100000000, -0.0010667000000000 ] - [ 0.0009019600000000, 0.0015452200000000, -0.0003981800000000 ] - [ 0.0002631500000000, -0.0004599400000000, 0.0009985100000000 ] - [ -0.0002431100000000, -0.0002735300000000, -0.0011674700000000 ] - [ -0.0019256500000000, 0.0009384200000000, -0.0003360000000000 ] - [ -0.0016806200000000, -0.0020639200000000, 0.0001238300000000 ] - [ -0.0009719300000000, -0.0002716300000000, -0.0008759000000000 ] - [ -0.0002042200000000, -0.0004982700000000, 0.0013854700000000 ] - [ -0.0004894100000000, -0.0001274700000000, 0.0000445200000000 ] - [ -0.0002811700000000, -0.0008912800000000, -0.0000746200000000 ] - [ 0.0000097200000000, -0.0000218000000000, -0.0001569300000000 ] - [ 0.0000273400000000, -0.0002681100000000, -0.0003819100000000 ] - [ 0.0004660300000000, 0.0001817400000000, 0.0001266600000000 ] - [ 0.0002749400000000, -0.0004924500000000, -0.0006230700000000 ] - [ 0.0001740500000000, 0.0004782800000000, 0.0001205000000000 ] - [ 0.0026785000000000, -0.0022420400000000, -0.0044805000000000 ] - [ 0.0007258200000000, 0.0002234700000000, 0.0009760600000000 ] - [ 0.0004239900000000, -0.0009669500000000, -0.0000494200000000 ] - [ 0.0016727500000000, 0.0016584000000000, 0.0010673400000000 ] - [ 0.0000293500000000, 0.0000452100000000, -0.0004089000000000 ] - [ 0.0078282000000000, 0.0027764500000000, -0.0102610000000000 ] - [ 0.0001054500000000, 0.0001137000000000, -0.0005985700000000 ] - [ -0.0000309300000000, 0.0006528800000000, 0.0000399500000000 ] - [ 0.0001323300000000, 0.0004873100000000, 0.0001890200000000 ] - [ 0.0001479000000000, 0.0000804800000000, 0.0001520200000000 ] - [ -0.0003241000000000, 0.0001101300000000, 0.0002618200000000 ] - [ -0.0001655900000000, 0.0002166300000000, -0.0000561000000000 ] - [ 0.0000513400000000, 0.0000595100000000, -0.0002810200000000 ] - [ 0.0001338300000000, 0.0001430400000000, -0.0001297500000000 ] - [ -0.0005350700000000, 0.0017984900000000, 0.0001887000000000 ] - [ -0.0028194500000000, -0.0004097900000000, -0.0004964500000000 ] - [ -0.0000534200000000, 0.0001786900000000, 0.0015689500000000 ] - [ -0.0031205600000000, -0.0003078000000000, -0.0020418000000000 ] - [ 0.0011379200000000, 0.0005376400000000, -0.0023708400000000 ] - [ -0.0002308700000000, 0.0002173900000000, 0.0000624500000000 ] - [ 0.0013849000000000, -0.0006337600000000, -0.0012643900000000 ] - [ 0.0003855500000000, 0.0001666500000000, -0.0000444900000000 ]- atom: 4 displacement: [ 0.0099999639143206, 0.0000000000000000, -0.0000268647033593 ] forces: - [ 0.0001451900000000, -0.0000527400000000, 0.0002888700000000 ] - [ -0.0000287000000000, 0.0002047900000000, -0.0000147900000000 ] - [ 0.0004763000000000, 0.0008213600000000, 0.0001701800000000 ] - [ -0.0432565600000000, 0.0045857800000000, 0.0019439500000000 ] - [ -0.0000592300000000, -0.0003438900000000, -0.0001475900000000 ] - [ -0.0000607200000000, -0.0002368500000000, -0.0000287200000000 ] - [ -0.0000763400000000, 0.0000984500000000, -0.0001054300000000 ] - [ 0.0005106500000000, 0.0001779000000000, 0.0001563200000000 ] - [ -0.0002612300000000, -0.0000559800000000, -0.0000251700000000 ] - [ -0.0000351900000000, 0.0000571800000000, 0.0000299400000000 ] - [ 0.0000428300000000, 0.0003478000000000, -0.0000966300000000 ] - [ 0.0018337500000000, 0.0024195200000000, 0.0019581600000000 ] - [ 0.0006631300000000, -0.0006223200000000, 0.0001997900000000 ] - [ 0.0062290200000000, -0.0043091400000000, -0.0037478800000000 ] - [ -0.0000731000000000, -0.0000920100000000, 0.0000665900000000 ] - [ -0.0002863000000000, 0.0000939800000000, -0.0000441600000000 ] - [ -0.0000580300000000, -0.0002447500000000, -0.0000001600000000 ] - [ -0.0004137800000000, -0.0002471000000000, -0.0002462000000000 ] - [ -0.0005321700000000, 0.0001355400000000, -0.0001016500000000 ] - [ 0.0003882800000000, 0.0002058300000000, -0.0000264400000000 ] - [ 0.0003264700000000, -0.0000008500000000, -0.0000702000000000 ] - [ -0.0000586900000000, 0.0003701900000000, -0.0001347500000000 ] - [ -0.0019902600000000, -0.0002764400000000, 0.0004659300000000 ] - [ 0.0019941500000000, 0.0000388000000000, 0.0002165900000000 ] - [ 0.0012080800000000, -0.0002761900000000, -0.0000284100000000 ] - [ -0.0010295800000000, -0.0003366300000000, -0.0004494900000000 ] - [ 0.0027584500000000, -0.0000980900000000, 0.0001467600000000 ] - [ -0.0004962900000000, -0.0001027700000000, -0.0003392600000000 ] - [ -0.0000686800000000, 0.0001564600000000, -0.0001081100000000 ] - [ 0.0005884100000000, 0.0006450500000000, -0.0037760300000000 ] - [ -0.0000905400000000, 0.0000428400000000, 0.0003748600000000 ] - [ 0.0000732300000000, 0.0001832600000000, 0.0000970200000000 ] - [ -0.0001846600000000, 0.0001274100000000, 0.0006115500000000 ] - [ -0.0002878100000000, 0.0001144300000000, -0.0005071900000000 ] - [ 0.0019713100000000, -0.0000507000000000, -0.0000391100000000 ] - [ -0.0031167200000000, 0.0007004000000000, 0.0001252600000000 ] - [ 0.0003224300000000, 0.0005067400000000, 0.0002254600000000 ] - [ 0.0001242900000000, -0.0005309400000000, -0.0003398400000000 ] - [ 0.0001826700000000, -0.0001686400000000, -0.0001265600000000 ] - [ 0.0005312100000000, -0.0002042800000000, -0.0000235000000000 ] - [ 0.0008124400000000, -0.0002456600000000, 0.0036417400000000 ] - [ 0.0029636400000000, 0.0031497800000000, 0.0092531400000000 ] - [ 0.0003491000000000, -0.0002086000000000, -0.0000535800000000 ] - [ -0.0000246500000000, 0.0008062300000000, 0.0002135000000000 ] - [ -0.0004809000000000, -0.0001550600000000, 0.0001745400000000 ] - [ 0.0010205500000000, -0.0025567900000000, -0.0014503100000000 ] - [ 0.0020467700000000, -0.0029204000000000, -0.0082059900000000 ] - [ -0.0004701200000000, -0.0001377800000000, 0.0003337600000000 ] - [ 0.0011267200000000, -0.0012763000000000, 0.0003278000000000 ] - [ 0.0000196500000000, -0.0002276800000000, 0.0000591000000000 ] - [ 0.0070300500000000, 0.0050157300000000, -0.0039568100000000 ] - [ 0.0000342000000000, -0.0000251800000000, 0.0002322100000000 ] - [ 0.0002485800000000, -0.0000661100000000, -0.0000577900000000 ] - [ -0.0002558400000000, 0.0005231800000000, 0.0001891000000000 ] - [ 0.0000618800000000, -0.0005858000000000, 0.0000129000000000 ] - [ 0.0011455900000000, -0.0007647300000000, -0.0000610900000000 ] - [ -0.0000123300000000, 0.0003963400000000, -0.0001135300000000 ] - [ 0.0003589500000000, -0.0003108000000000, -0.0001527000000000 ] - [ 0.0000032800000000, 0.0005339400000000, -0.0001947600000000 ] - [ -0.0016871000000000, -0.0003037800000000, 0.0002608800000000 ] - [ -0.0002621400000000, -0.0000602200000000, -0.0012863700000000 ] - [ 0.0000929600000000, 0.0000171900000000, 0.0002761500000000 ] - [ 0.0028775700000000, 0.0024065300000000, -0.0015409200000000 ] - [ 0.0015903000000000, -0.0001819200000000, -0.0001085600000000 ] - [ -0.0041496800000000, -0.0009293500000000, -0.0011983000000000 ] - [ 0.0075874200000000, -0.0073916300000000, 0.0029811800000000 ] - [ 0.0001591800000000, -0.0001309000000000, 0.0002701700000000 ] - [ 0.0004563600000000, 0.0000279100000000, 0.0004893600000000 ] - [ -0.0001252900000000, 0.0003873600000000, 0.0002666000000000 ] - [ 0.0001660000000000, 0.0002618500000000, -0.0001539900000000 ] - [ -0.0009500300000000, -0.0003973100000000, 0.0003724000000000 ] - [ 0.0001393000000000, 0.0002098100000000, 0.0000244400000000 ] - [ -0.0001151000000000, -0.0003479300000000, 0.0001890900000000 ] - [ -0.0002193500000000, 0.0000320900000000, 0.0002837100000000 ] - [ -0.0000162600000000, -0.0000642900000000, -0.0004621000000000 ] - [ -0.0001301900000000, -0.0001618600000000, 0.0001053000000000 ] - [ -0.0003000700000000, -0.0002165600000000, -0.0000872000000000 ] - [ 0.0000542100000000, -0.0003266600000000, -0.0001097000000000 ] - [ -0.0013155400000000, 0.0003067900000000, 0.0000204000000000 ] - [ 0.0014665000000000, 0.0004464100000000, -0.0000880500000000 ] - [ 0.0003189100000000, 0.0004051600000000, 0.0000336800000000 ] - [ -0.0000751900000000, -0.0000286300000000, 0.0004595700000000 ] - [ -0.0004010100000000, -0.0001357100000000, 0.0001829800000000 ] - [ -0.0001228000000000, 0.0003963300000000, -0.0001425300000000 ] - [ -0.0009375700000000, -0.0001261500000000, 0.0002488600000000 ] - [ 0.0005432100000000, -0.0000683600000000, 0.0002560700000000 ] - [ 0.0002050700000000, -0.0000280100000000, -0.0000758500000000 ] - [ -0.0011221200000000, -0.0000253900000000, -0.0001093500000000 ] - [ -0.0001871400000000, -0.0000332900000000, 0.0002419200000000 ] - [ 0.0003989600000000, -0.0002874600000000, 0.0000601200000000 ] - [ 0.0001674300000000, 0.0000437900000000, 0.0001853300000000 ] - [ -0.0001725300000000, 0.0005498000000000, 0.0001593500000000 ] - [ 0.0024060700000000, 0.0012044000000000, 0.0002723500000000 ] - [ 0.0055470400000000, -0.0021462500000000, 0.0002472800000000 ] - [ -0.0000398800000000, -0.0001192400000000, -0.0001393600000000 ] - [ 0.0001202500000000, -0.0007716500000000, -0.0001947000000000 ] - [ -0.0010642600000000, 0.0002950400000000, -0.0002873300000000 ] - [ 0.0000602600000000, -0.0006668700000000, -0.0001598100000000 ] - [ 0.0000307800000000, 0.0001615700000000, -0.0000337600000000 ] - [ -0.0004947900000000, 0.0005696400000000, -0.0000438600000000 ] - [ -0.0000035000000000, 0.0003413200000000, 0.0012322000000000 ] - [ -0.0005022700000000, 0.0000028800000000, -0.0004615400000000 ] - [ 0.0003649100000000, 0.0000023900000000, 0.0004249400000000 ] - [ -0.0001281900000000, -0.0001601700000000, 0.0005219600000000 ] - [ -0.0015039100000000, -0.0009795400000000, 0.0005444800000000 ] - [ -0.0001164700000000, 0.0000780600000000, 0.0005422300000000 ] - [ 0.0001730800000000, 0.0000058800000000, 0.0000606300000000 ] - [ 0.0003327100000000, 0.0002639400000000, -0.0003516400000000 ] - [ 0.0002449800000000, -0.0001723100000000, -0.0001691400000000 ] - [ -0.0003078700000000, 0.0003720600000000, 0.0002986200000000 ] - [ -0.0001611100000000, -0.0002512900000000, 0.0002647900000000 ] - [ 0.0001864900000000, -0.0000796200000000, 0.0000253500000000 ] - [ -0.0001037600000000, 0.0001891300000000, -0.0001318100000000 ] - [ -0.0005619600000000, 0.0008651300000000, 0.0002009000000000 ] - [ -0.0003265600000000, -0.0002720800000000, 0.0013054700000000 ] - [ 0.0001213200000000, 0.0001649700000000, -0.0000908000000000 ] - [ 0.0002177300000000, -0.0000039200000000, 0.0000390100000000 ] - [ -0.0006643300000000, -0.0015557800000000, 0.0002768900000000 ] - [ -0.0002140700000000, -0.0002062600000000, -0.0001065800000000 ] - [ 0.0011082900000000, -0.0000037300000000, -0.0000860200000000 ] - [ -0.0016265200000000, 0.0003080700000000, 0.0007316800000000 ] - [ 0.0000591700000000, -0.0001927100000000, 0.0002282400000000 ] - [ -0.0001928800000000, -0.0000026200000000, -0.0001595800000000 ] - [ 0.0000599900000000, 0.0001746700000000, 0.0000648100000000 ] - [ -0.0003284500000000, -0.0004157000000000, 0.0000013400000000 ] - [ -0.0002241600000000, -0.0004486300000000, -0.0013196700000000 ] - [ -0.0000216200000000, 0.0000126500000000, -0.0003408500000000 ] - [ -0.0010547800000000, 0.0006692700000000, -0.0000777400000000 ] - [ 0.0006414400000000, 0.0002328300000000, 0.0000162800000000 ] - [ 0.0005751600000000, 0.0004205100000000, -0.0000209700000000 ] - [ -0.0002137000000000, -0.0000187200000000, -0.0000318600000000 ] - [ 0.0018014400000000, -0.0003533800000000, -0.0000482000000000 ] - [ 0.0020212100000000, -0.0006731900000000, -0.0006355100000000 ] - [ -0.0003868700000000, 0.0004967400000000, -0.0000961600000000 ] - [ -0.0007354200000000, -0.0000723100000000, -0.0002005900000000 ] - [ 0.0010801000000000, 0.0004095900000000, -0.0010008000000000 ] - [ 0.0003965000000000, -0.0000817800000000, 0.0000891600000000 ] - [ 0.0067712800000000, 0.0015785800000000, 0.0007712600000000 ] - [ 0.0002173600000000, 0.0005763800000000, -0.0001750700000000 ] - [ -0.0020135000000000, -0.0009045500000000, -0.0005597700000000 ] - [ -0.0001540400000000, -0.0005320700000000, 0.0001815300000000 ] - [ -0.0004336800000000, -0.0000248300000000, -0.0003304000000000 ] - [ -0.0001198400000000, 0.0005696500000000, 0.0000350700000000 ] - [ -0.0030958800000000, 0.0030911100000000, -0.0008664600000000 ] - [ 0.0030381000000000, 0.0001658600000000, -0.0000875200000000 ] - [ 0.0009709700000000, 0.0007594300000000, -0.0003543800000000 ] - [ -0.0001966500000000, 0.0000209900000000, -0.0007908500000000 ] - [ -0.0002110600000000, -0.0001760400000000, -0.0000222500000000 ] - [ -0.0004954500000000, 0.0007860000000000, -0.0016303500000000 ] - [ 0.0001423300000000, -0.0001286600000000, 0.0001358700000000 ] - [ 0.0001222200000000, -0.0000673200000000, -0.0002661900000000 ] - [ 0.0000851600000000, 0.0000762100000000, -0.0001651000000000 ] - [ 0.0002762700000000, -0.0002139300000000, -0.0004165800000000 ] - [ 0.0003810600000000, 0.0003500400000000, -0.0000464500000000 ] - [ -0.0039677300000000, -0.0022660800000000, 0.0014418500000000 ] - [ 0.0001283600000000, -0.0003052700000000, 0.0004242000000000 ] - [ -0.0009088700000000, 0.0002345900000000, -0.0003662500000000 ] - [ 0.0007938400000000, -0.0012761700000000, 0.0027118400000000 ] - [ 0.0031865400000000, -0.0003513900000000, -0.0007802200000000 ] - [ 0.0009442900000000, -0.0004121500000000, -0.0005858100000000 ] - [ 0.0020204300000000, 0.0002916600000000, 0.0003545500000000 ] - [ -0.0003456700000000, 0.0005362700000000, 0.0001583100000000 ] - [ 0.0009079600000000, 0.0002511900000000, 0.0006209900000000 ] - [ 0.0001506500000000, 0.0000454100000000, -0.0000680400000000 ] - [ -0.0000461100000000, 0.0000612000000000, 0.0000369100000000 ] - [ -0.0012595900000000, 0.0003085700000000, 0.0000390700000000 ] - [ -0.0000567600000000, 0.0000749800000000, 0.0004112100000000 ] - [ 0.0000385900000000, 0.0002631200000000, -0.0001526900000000 ] - [ 0.0001411500000000, -0.0001480800000000, 0.0000740600000000 ] - [ 0.0015921800000000, -0.0001109100000000, 0.0006321100000000 ] - [ -0.0006970400000000, -0.0000216200000000, 0.0001855400000000 ] - [ -0.0006499600000000, 0.0001919500000000, -0.0004085300000000 ] - [ -0.0001875800000000, -0.0001059400000000, -0.0002075700000000 ] - [ -0.0002857900000000, 0.0000458500000000, -0.0003253500000000 ] - [ -0.0014516100000000, 0.0000652500000000, 0.0007245100000000 ] - [ 0.0002793700000000, 0.0001344800000000, -0.0002792100000000 ]- atom: 4 displacement: [ -0.0099999639143206, 0.0000000000000000, 0.0000268647033593 ] forces: - [ 0.0000445300000000, -0.0001691000000000, -0.0000996300000000 ] - [ -0.0001070900000000, 0.0002430700000000, -0.0000368700000000 ] - [ 0.0001420200000000, -0.0008336500000000, -0.0003134600000000 ] - [ 0.0434513400000000, -0.0046371200000000, -0.0016358400000000 ] - [ -0.0000323200000000, -0.0003268100000000, -0.0001276400000000 ] - [ -0.0001297600000000, 0.0000134800000000, -0.0001602600000000 ] - [ -0.0001139200000000, 0.0001235500000000, -0.0000838200000000 ] - [ 0.0003629700000000, 0.0001644100000000, 0.0000681100000000 ] - [ 0.0003238200000000, -0.0000583500000000, -0.0000934300000000 ] - [ -0.0000265700000000, 0.0000574700000000, 0.0000906200000000 ] - [ 0.0000488500000000, 0.0003231800000000, 0.0003723500000000 ] - [ -0.0017002800000000, -0.0028486900000000, -0.0018919900000000 ] - [ 0.0002145400000000, 0.0002801500000000, 0.0000241300000000 ] - [ -0.0062479300000000, 0.0044996700000000, 0.0036889100000000 ] - [ 0.0000114600000000, -0.0000243500000000, 0.0000539700000000 ] - [ -0.0003325500000000, -0.0001036700000000, 0.0001867400000000 ] - [ -0.0000778100000000, -0.0002043000000000, -0.0000516300000000 ] - [ -0.0004601600000000, -0.0000959300000000, 0.0000221100000000 ] - [ -0.0003422500000000, 0.0002035900000000, -0.0001239900000000 ] - [ -0.0002527500000000, 0.0002430300000000, 0.0000770500000000 ] - [ 0.0002917900000000, 0.0000103500000000, -0.0000716900000000 ] - [ -0.0000326200000000, 0.0002989800000000, -0.0001405300000000 ] - [ 0.0013690000000000, 0.0002976300000000, -0.0003299100000000 ] - [ -0.0018034500000000, 0.0001806100000000, -0.0000297300000000 ] - [ -0.0007140700000000, -0.0000502700000000, 0.0009245700000000 ] - [ 0.0011337400000000, -0.0001466500000000, 0.0006985700000000 ] - [ -0.0031678100000000, -0.0009326300000000, 0.0005282900000000 ] - [ 0.0000024700000000, -0.0002299100000000, -0.0005504400000000 ] - [ -0.0000297700000000, 0.0003231600000000, -0.0001649800000000 ] - [ -0.0004073300000000, -0.0003203100000000, 0.0029410300000000 ] - [ -0.0000866200000000, 0.0002799800000000, 0.0004675100000000 ] - [ 0.0000354700000000, 0.0001823900000000, -0.0000333800000000 ] - [ -0.0002223000000000, 0.0008999400000000, 0.0000602100000000 ] - [ -0.0002079700000000, 0.0002135900000000, -0.0003817800000000 ] - [ -0.0020827600000000, -0.0003090700000000, -0.0000304200000000 ] - [ 0.0032902600000000, -0.0010469400000000, -0.0009347300000000 ] - [ 0.0000303700000000, -0.0003207600000000, -0.0003435000000000 ] - [ 0.0002833200000000, -0.0004963300000000, -0.0003324400000000 ] - [ -0.0002827200000000, -0.0003160100000000, -0.0001459100000000 ] - [ -0.0001800300000000, 0.0000204900000000, -0.0000931300000000 ] - [ -0.0009245700000000, 0.0006123900000000, -0.0036987500000000 ] - [ -0.0024727500000000, -0.0028407300000000, -0.0084271300000000 ] - [ -0.0002405300000000, -0.0001608000000000, 0.0001173100000000 ] - [ -0.0003376400000000, -0.0006203800000000, -0.0000960500000000 ] - [ 0.0001298600000000, -0.0000323700000000, -0.0000579500000000 ] - [ -0.0006114800000000, 0.0035741400000000, 0.0007764100000000 ] - [ -0.0019574700000000, 0.0033908400000000, 0.0084258100000000 ] - [ 0.0002920100000000, -0.0001873800000000, 0.0005089800000000 ] - [ -0.0014661800000000, 0.0008027300000000, -0.0003745700000000 ] - [ 0.0000399700000000, 0.0005933400000000, 0.0000976900000000 ] - [ -0.0066699500000000, -0.0049842700000000, 0.0032812300000000 ] - [ 0.0002577500000000, -0.0001286700000000, 0.0003119700000000 ] - [ 0.0001573600000000, 0.0007507100000000, -0.0001609200000000 ] - [ -0.0001556900000000, 0.0001632400000000, 0.0000306900000000 ] - [ 0.0002833000000000, 0.0001029800000000, 0.0000291100000000 ] - [ -0.0008670400000000, 0.0000124500000000, -0.0003978200000000 ] - [ 0.0000367800000000, 0.0001986600000000, -0.0000992100000000 ] - [ 0.0000482000000000, -0.0003737700000000, -0.0000667200000000 ] - [ -0.0000590400000000, -0.0001711500000000, 0.0000381800000000 ] - [ 0.0016635800000000, -0.0002889800000000, -0.0000535400000000 ] - [ -0.0000288100000000, 0.0002131900000000, 0.0007416700000000 ] - [ 0.0001995400000000, 0.0001362000000000, 0.0002679900000000 ] - [ -0.0029270500000000, -0.0018010900000000, 0.0017320100000000 ] - [ -0.0019972000000000, -0.0005059900000000, 0.0003260000000000 ] - [ 0.0038415600000000, 0.0007146700000000, 0.0006523600000000 ] - [ -0.0072409200000000, 0.0070484900000000, -0.0030697200000000 ] - [ -0.0004170100000000, 0.0003920200000000, -0.0001341700000000 ] - [ -0.0001764100000000, 0.0007313600000000, -0.0009534100000000 ] - [ -0.0001571700000000, 0.0003705700000000, 0.0001944500000000 ] - [ 0.0000924500000000, 0.0000030000000000, 0.0000150000000000 ] - [ 0.0005260100000000, 0.0003095700000000, 0.0003325100000000 ] - [ 0.0002066400000000, 0.0002701200000000, 0.0000177700000000 ] - [ -0.0001664800000000, -0.0004110100000000, 0.0002732700000000 ] - [ -0.0002034700000000, 0.0000545200000000, 0.0004204200000000 ] - [ 0.0004421600000000, -0.0000229300000000, -0.0002388500000000 ] - [ -0.0001287800000000, -0.0001018600000000, 0.0000314200000000 ] - [ 0.0002439300000000, -0.0001508600000000, -0.0000694600000000 ] - [ -0.0000299400000000, -0.0002707300000000, -0.0001030300000000 ] - [ 0.0013728100000000, -0.0006551600000000, 0.0001375300000000 ] - [ -0.0018148000000000, 0.0000340300000000, 0.0000463700000000 ] - [ 0.0002510800000000, 0.0003675400000000, 0.0000219500000000 ] - [ -0.0000601500000000, 0.0000120500000000, 0.0004153300000000 ] - [ -0.0001799900000000, -0.0000861100000000, 0.0002687300000000 ] - [ -0.0001945700000000, 0.0003359300000000, -0.0001013600000000 ] - [ 0.0010291900000000, 0.0000957200000000, 0.0004126300000000 ] - [ -0.0000937400000000, 0.0001402600000000, -0.0000951300000000 ] - [ 0.0002246400000000, -0.0000364900000000, -0.0001605100000000 ] - [ 0.0005991800000000, 0.0000960700000000, -0.0000934600000000 ] - [ -0.0001869500000000, -0.0000527900000000, 0.0001054400000000 ] - [ 0.0001716500000000, -0.0004828000000000, -0.0000045400000000 ] - [ 0.0000988800000000, 0.0000922900000000, 0.0001186600000000 ] - [ -0.0000537500000000, 0.0005090000000000, 0.0001928300000000 ] - [ -0.0029080000000000, -0.0006562100000000, 0.0005605500000000 ] - [ -0.0047107500000000, 0.0018865700000000, 0.0003023900000000 ] - [ -0.0001092000000000, -0.0010814200000000, 0.0004712300000000 ] - [ 0.0001111100000000, -0.0003145800000000, -0.0001713300000000 ] - [ 0.0013820300000000, 0.0004347600000000, 0.0005291500000000 ] - [ 0.0000912100000000, -0.0005350300000000, -0.0001718300000000 ] - [ -0.0004047700000000, -0.0000742300000000, 0.0003810800000000 ] - [ 0.0000743900000000, 0.0003164700000000, 0.0000002700000000 ] - [ 0.0001392100000000, -0.0003237800000000, -0.0021025400000000 ] - [ -0.0000808500000000, 0.0000288900000000, -0.0001452300000000 ] - [ 0.0002182600000000, 0.0000282800000000, 0.0001861300000000 ] - [ -0.0001082300000000, -0.0009294900000000, -0.0001568600000000 ] - [ 0.0017421600000000, -0.0000882800000000, -0.0008866700000000 ] - [ -0.0001744600000000, 0.0000579000000000, -0.0003278300000000 ] - [ -0.0006237600000000, 0.0000661000000000, -0.0002280200000000 ] - [ 0.0001496800000000, 0.0002323200000000, -0.0004924500000000 ] - [ 0.0000451900000000, 0.0000367600000000, -0.0000452900000000 ] - [ -0.0000160100000000, 0.0001844900000000, 0.0002960900000000 ] - [ -0.0001622900000000, -0.0003028200000000, 0.0003287200000000 ] - [ 0.0003407100000000, 0.0000035200000000, 0.0001797900000000 ] - [ 0.0004280400000000, 0.0003639600000000, -0.0004596200000000 ] - [ 0.0006500400000000, -0.0008382500000000, 0.0004617900000000 ] - [ -0.0001561500000000, -0.0002240300000000, -0.0004631100000000 ] - [ 0.0001680800000000, -0.0000292000000000, -0.0001229700000000 ] - [ 0.0003082900000000, 0.0000803600000000, 0.0001653600000000 ] - [ 0.0009822700000000, 0.0016202300000000, 0.0000599500000000 ] - [ -0.0001027600000000, -0.0005232100000000, -0.0001374900000000 ] - [ -0.0007991200000000, -0.0000611200000000, 0.0004216100000000 ] - [ 0.0010585000000000, 0.0004637700000000, -0.0007916900000000 ] - [ -0.0003624100000000, -0.0000084800000000, 0.0001070400000000 ] - [ -0.0001154300000000, -0.0000590500000000, -0.0001753300000000 ] - [ 0.0001249100000000, 0.0001507300000000, 0.0000595400000000 ] - [ -0.0000939300000000, -0.0004694500000000, -0.0000440400000000 ] - [ -0.0000427000000000, 0.0003148200000000, 0.0010206600000000 ] - [ -0.0000687100000000, -0.0000425400000000, -0.0003211600000000 ] - [ 0.0007925900000000, -0.0005394600000000, -0.0002282200000000 ] - [ 0.0003200700000000, -0.0000698900000000, 0.0001138800000000 ] - [ 0.0003340000000000, 0.0001265700000000, -0.0001007700000000 ] - [ -0.0002371600000000, -0.0000527000000000, -0.0001359200000000 ] - [ -0.0020732300000000, 0.0002263900000000, 0.0002561700000000 ] - [ -0.0021471500000000, 0.0003800800000000, 0.0004180500000000 ] - [ 0.0005365800000000, 0.0007078800000000, -0.0002347800000000 ] - [ -0.0002237800000000, 0.0002325200000000, 0.0000688800000000 ] - [ -0.0008488000000000, 0.0006442800000000, 0.0006507100000000 ] - [ 0.0005654300000000, -0.0000805700000000, 0.0000407200000000 ] - [ -0.0068352900000000, -0.0018803700000000, -0.0012031600000000 ] - [ 0.0000140900000000, 0.0005129800000000, -0.0001909100000000 ] - [ 0.0010532400000000, 0.0007444000000000, 0.0004306900000000 ] - [ -0.0000733000000000, -0.0005244100000000, 0.0001708900000000 ] - [ -0.0000920300000000, -0.0000510300000000, 0.0001269000000000 ] - [ 0.0000303700000000, -0.0005371100000000, -0.0006971500000000 ] - [ 0.0025073600000000, -0.0028664600000000, 0.0013147000000000 ] - [ -0.0032731400000000, 0.0009117300000000, 0.0004494400000000 ] - [ -0.0005388600000000, -0.0006932600000000, 0.0001169500000000 ] - [ -0.0000355700000000, -0.0001874200000000, 0.0012341500000000 ] - [ -0.0007020900000000, -0.0003671200000000, 0.0001435400000000 ] - [ -0.0000886900000000, -0.0015640800000000, 0.0015760200000000 ] - [ 0.0001251200000000, -0.0000051300000000, 0.0001683200000000 ] - [ 0.0001112600000000, -0.0000972500000000, -0.0001762400000000 ] - [ 0.0001479700000000, 0.0000901200000000, -0.0002780000000000 ] - [ 0.0002054000000000, -0.0002810500000000, -0.0004273700000000 ] - [ 0.0000445100000000, 0.0005365300000000, 0.0000905700000000 ] - [ 0.0035411700000000, 0.0022046900000000, -0.0012045300000000 ] - [ -0.0004335100000000, 0.0005109000000000, -0.0000881800000000 ] - [ 0.0012253800000000, -0.0009715000000000, 0.0006158900000000 ] - [ -0.0004088900000000, 0.0011685500000000, -0.0025215000000000 ] - [ -0.0026595900000000, -0.0002919400000000, 0.0003206300000000 ] - [ -0.0006454100000000, 0.0002048600000000, 0.0002503800000000 ] - [ -0.0018900500000000, -0.0002863400000000, -0.0012071000000000 ] - [ 0.0001969600000000, 0.0006632800000000, 0.0001735400000000 ] - [ -0.0010960400000000, 0.0000684700000000, -0.0007439600000000 ] - [ 0.0002230200000000, 0.0000403900000000, -0.0002831900000000 ] - [ -0.0003850900000000, 0.0000036500000000, 0.0001988100000000 ] - [ 0.0010297500000000, -0.0001507300000000, 0.0004050300000000 ] - [ -0.0000790700000000, -0.0000568700000000, 0.0004636900000000 ] - [ 0.0002636800000000, -0.0000592500000000, -0.0001846700000000 ] - [ 0.0000439500000000, -0.0001749300000000, 0.0000501100000000 ] - [ -0.0006749500000000, -0.0004379800000000, -0.0007535500000000 ] - [ -0.0002159400000000, 0.0005692400000000, -0.0000627200000000 ] - [ 0.0012304300000000, -0.0004109000000000, -0.0000422800000000 ] - [ -0.0001210200000000, 0.0001693800000000, -0.0001270000000000 ] - [ -0.0002972400000000, -0.0000754700000000, -0.0002811100000000 ] - [ 0.0018732100000000, -0.0009486800000000, -0.0006808300000000 ] - [ 0.0003017000000000, 0.0000865800000000, -0.0001718300000000 ]- atom: 4 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001284100000000, -0.0004521000000000, 0.0001028200000000 ] - [ -0.0000369600000000, 0.0006413300000000, -0.0000751900000000 ] - [ 0.0007195300000000, 0.0005184700000000, 0.0000821300000000 ] - [ 0.0046336000000000, -0.0309178700000000, 0.0009921400000000 ] - [ -0.0000372800000000, -0.0000109300000000, -0.0001409200000000 ] - [ -0.0001929500000000, 0.0003630400000000, -0.0002020200000000 ] - [ -0.0000791300000000, 0.0004399400000000, -0.0000955300000000 ] - [ 0.0004421300000000, 0.0001191800000000, 0.0001056900000000 ] - [ 0.0000086000000000, -0.0007677300000000, -0.0000772800000000 ] - [ -0.0000244300000000, 0.0003662500000000, 0.0000657800000000 ] - [ 0.0000333700000000, -0.0000917100000000, 0.0000807100000000 ] - [ 0.0022791300000000, -0.0003466700000000, 0.0016333200000000 ] - [ -0.0002083500000000, 0.0004368200000000, -0.0000506000000000 ] - [ -0.0042054500000000, -0.0006944000000000, 0.0019320000000000 ] - [ -0.0000623500000000, 0.0004775300000000, 0.0000552000000000 ] - [ -0.0002037600000000, 0.0001442000000000, -0.0001080000000000 ] - [ -0.0000821800000000, 0.0000848300000000, -0.0000105100000000 ] - [ -0.0005394100000000, -0.0000474000000000, 0.0000592900000000 ] - [ -0.0003936500000000, 0.0009923600000000, 0.0002533400000000 ] - [ 0.0000854500000000, -0.0002809700000000, -0.0000218400000000 ] - [ 0.0003179300000000, 0.0001588400000000, -0.0000708300000000 ] - [ -0.0000106400000000, 0.0007516600000000, -0.0001809100000000 ] - [ -0.0007966500000000, 0.0031426400000000, -0.0026142800000000 ] - [ 0.0000826000000000, -0.0007143900000000, 0.0003055500000000 ] - [ -0.0000968900000000, -0.0012270700000000, 0.0007880500000000 ] - [ -0.0002921200000000, -0.0010478300000000, 0.0045803200000000 ] - [ -0.0003661200000000, -0.0000299800000000, -0.0005576600000000 ] - [ -0.0002523300000000, 0.0009099900000000, -0.0009178900000000 ] - [ -0.0002663400000000, 0.0014783200000000, -0.0002986500000000 ] - [ 0.0006845300000000, -0.0009169300000000, -0.0025263500000000 ] - [ -0.0001913400000000, 0.0011052600000000, 0.0006085600000000 ] - [ 0.0000924400000000, 0.0011143400000000, 0.0002263400000000 ] - [ -0.0004313000000000, 0.0009066000000000, -0.0000919500000000 ] - [ -0.0000558400000000, 0.0015075600000000, -0.0006402900000000 ] - [ 0.0002583000000000, -0.0009195900000000, -0.0004291600000000 ] - [ 0.0010447400000000, 0.0031020000000000, -0.0070708100000000 ] - [ 0.0005667000000000, 0.0004266800000000, 0.0004897800000000 ] - [ 0.0002208500000000, 0.0001139800000000, -0.0000503000000000 ] - [ 0.0000232800000000, 0.0006741600000000, -0.0002916000000000 ] - [ 0.0002904000000000, 0.0006082200000000, 0.0002851800000000 ] - [ -0.0003718700000000, -0.0011463600000000, -0.0014496300000000 ] - [ 0.0029781100000000, -0.0029429300000000, 0.0038646300000000 ] - [ -0.0000114000000000, 0.0006509600000000, 0.0001916600000000 ] - [ 0.0017415400000000, 0.0017902400000000, -0.0006916900000000 ] - [ -0.0002324000000000, -0.0000791200000000, -0.0004206000000000 ] - [ -0.0013742300000000, 0.0027329300000000, 0.0004690200000000 ] - [ -0.0030055200000000, -0.0034565600000000, 0.0045448100000000 ] - [ -0.0000145900000000, 0.0013430900000000, 0.0009378700000000 ] - [ -0.0016114100000000, -0.0009092400000000, -0.0001780100000000 ] - [ -0.0003421300000000, 0.0005031100000000, 0.0001817800000000 ] - [ 0.0045618100000000, 0.0013471500000000, -0.0006413100000000 ] - [ -0.0000124800000000, 0.0001020500000000, 0.0004890400000000 ] - [ 0.0000752500000000, 0.0004339500000000, -0.0002676600000000 ] - [ 0.0002489300000000, 0.0006467200000000, 0.0000740300000000 ] - [ 0.0002131300000000, 0.0006931800000000, 0.0001036000000000 ] - [ 0.0004143600000000, -0.0007037200000000, -0.0003402300000000 ] - [ 0.0000558800000000, 0.0010449500000000, -0.0000976800000000 ] - [ 0.0002696100000000, 0.0001298400000000, -0.0003020600000000 ] - [ 0.0002831700000000, 0.0007919800000000, -0.0001055700000000 ] - [ -0.0000873400000000, -0.0023834300000000, -0.0000597100000000 ] - [ -0.0000349800000000, -0.0000243000000000, -0.0001445800000000 ] - [ 0.0003292000000000, 0.0003742600000000, 0.0001792000000000 ] - [ 0.0027277600000000, -0.0000864500000000, -0.0007889000000000 ] - [ -0.0004830100000000, -0.0000546900000000, 0.0003041600000000 ] - [ 0.0009559200000000, 0.0108993200000000, 0.0013811900000000 ] - [ -0.0051759000000000, 0.0011250600000000, -0.0038964400000000 ] - [ -0.0004380600000000, 0.0008475500000000, 0.0001010000000000 ] - [ 0.0001674300000000, 0.0000116600000000, 0.0001938200000000 ] - [ -0.0002712500000000, 0.0009345800000000, 0.0006719800000000 ] - [ 0.0001749500000000, -0.0000218000000000, 0.0001577700000000 ] - [ 0.0005986000000000, 0.0008029400000000, 0.0000394200000000 ] - [ 0.0001034400000000, 0.0009942600000000, -0.0000219200000000 ] - [ -0.0000308700000000, -0.0001170300000000, 0.0000621700000000 ] - [ -0.0004227800000000, 0.0002620200000000, 0.0003940800000000 ] - [ -0.0001337900000000, -0.0000977900000000, -0.0010153400000000 ] - [ 0.0000269400000000, 0.0002805800000000, -0.0001067000000000 ] - [ -0.0001833600000000, 0.0008543300000000, -0.0001959400000000 ] - [ 0.0000171300000000, 0.0004047800000000, -0.0000964200000000 ] - [ 0.0003137800000000, 0.0023216200000000, 0.0013663100000000 ] - [ -0.0003001900000000, -0.0008293600000000, -0.0001805900000000 ] - [ 0.0002692400000000, -0.0001899700000000, 0.0000338600000000 ] - [ -0.0000412800000000, -0.0002421900000000, 0.0002989500000000 ] - [ -0.0002801000000000, -0.0001507800000000, 0.0002313000000000 ] - [ -0.0000803300000000, -0.0003477100000000, -0.0000637300000000 ] - [ 0.0002308600000000, 0.0008608600000000, 0.0007503000000000 ] - [ 0.0002804400000000, 0.0001391300000000, 0.0013614700000000 ] - [ 0.0003959300000000, -0.0003553700000000, -0.0002102200000000 ] - [ -0.0008703900000000, -0.0001199200000000, -0.0001879000000000 ] - [ -0.0001684000000000, -0.0003638100000000, 0.0001808300000000 ] - [ 0.0003468900000000, -0.0011206600000000, -0.0000189400000000 ] - [ 0.0001043300000000, -0.0001670300000000, 0.0002701300000000 ] - [ -0.0001391800000000, -0.0001242700000000, 0.0001675100000000 ] - [ -0.0002598400000000, 0.0012536500000000, 0.0012116800000000 ] - [ -0.0025622600000000, 0.0048163700000000, 0.0009057800000000 ] - [ -0.0000145800000000, -0.0005404400000000, 0.0003659700000000 ] - [ 0.0000277900000000, -0.0010264800000000, -0.0001404800000000 ] - [ 0.0002161900000000, 0.0014833700000000, 0.0001423800000000 ] - [ -0.0000810000000000, -0.0011025400000000, -0.0003115100000000 ] - [ -0.0003815500000000, -0.0006050000000000, 0.0006959000000000 ] - [ -0.0001180200000000, 0.0001512500000000, 0.0001886200000000 ] - [ 0.0002934600000000, 0.0003963400000000, -0.0010191600000000 ] - [ -0.0002270700000000, -0.0004433900000000, -0.0001257400000000 ] - [ 0.0002894100000000, -0.0000260900000000, -0.0003153600000000 ] - [ 0.0004546800000000, -0.0006214400000000, -0.0002476500000000 ] - [ -0.0009923700000000, 0.0013091100000000, -0.0001266200000000 ] - [ -0.0001804400000000, 0.0001785900000000, 0.0002231700000000 ] - [ -0.0004280400000000, -0.0005544700000000, -0.0002614400000000 ] - [ 0.0002992100000000, -0.0000612100000000, -0.0005965700000000 ] - [ 0.0002425300000000, -0.0003498300000000, -0.0003468700000000 ] - [ -0.0000874200000000, -0.0002997400000000, 0.0001076000000000 ] - [ -0.0002212500000000, -0.0006844900000000, 0.0004203600000000 ] - [ 0.0002574600000000, -0.0005472900000000, -0.0000539800000000 ] - [ 0.0001079300000000, 0.0006266200000000, -0.0002444200000000 ] - [ 0.0003908300000000, 0.0002950800000000, 0.0006231200000000 ] - [ -0.0004687600000000, 0.0001075800000000, 0.0005561900000000 ] - [ 0.0000114600000000, -0.0003415600000000, -0.0001557900000000 ] - [ 0.0001540100000000, -0.0001913100000000, 0.0000742800000000 ] - [ -0.0007963200000000, 0.0002068100000000, 0.0006674200000000 ] - [ -0.0001815000000000, -0.0012012100000000, -0.0001614600000000 ] - [ 0.0001402600000000, 0.0012465400000000, 0.0009414000000000 ] - [ -0.0003420900000000, 0.0014747300000000, -0.0000624100000000 ] - [ -0.0001648500000000, -0.0010314200000000, 0.0006429100000000 ] - [ -0.0002117600000000, -0.0007048200000000, -0.0002754700000000 ] - [ 0.0001341600000000, -0.0004782000000000, 0.0000627900000000 ] - [ -0.0003358500000000, -0.0008217400000000, 0.0000929900000000 ] - [ -0.0003396600000000, 0.0001958900000000, -0.0007718000000000 ] - [ 0.0000009000000000, -0.0007215400000000, -0.0003521400000000 ] - [ 0.0000801600000000, 0.0000785500000000, -0.0005305000000000 ] - [ 0.0005327200000000, -0.0002428600000000, 0.0003464200000000 ] - [ 0.0006818900000000, -0.0001158000000000, -0.0004170000000000 ] - [ -0.0001662000000000, -0.0002885000000000, -0.0000814200000000 ] - [ -0.0025775900000000, -0.0031678600000000, 0.0009205300000000 ] - [ -0.0006699100000000, 0.0030730600000000, -0.0004816500000000 ] - [ 0.0001579900000000, 0.0001738100000000, -0.0002734500000000 ] - [ -0.0007227600000000, 0.0001088900000000, -0.0002165100000000 ] - [ -0.0000877200000000, 0.0022106200000000, -0.0006674000000000 ] - [ 0.0005002100000000, -0.0005932600000000, 0.0002479900000000 ] - [ 0.0026751300000000, 0.0036044500000000, -0.0002626800000000 ] - [ 0.0001606000000000, -0.0003020300000000, -0.0001671300000000 ] - [ -0.0006266900000000, -0.0000357100000000, -0.0003479200000000 ] - [ -0.0000891000000000, -0.0012477400000000, 0.0002152600000000 ] - [ -0.0003056500000000, 0.0001458800000000, -0.0001720900000000 ] - [ 0.0000454900000000, -0.0009749400000000, -0.0007030300000000 ] - [ 0.0008411700000000, -0.0006646100000000, 0.0012347200000000 ] - [ -0.0000570200000000, 0.0008634800000000, -0.0020552600000000 ] - [ -0.0000002400000000, -0.0012103200000000, -0.0000548000000000 ] - [ -0.0000894700000000, 0.0004810000000000, 0.0002003800000000 ] - [ -0.0002410800000000, -0.0010761400000000, 0.0005035800000000 ] - [ 0.0010429300000000, 0.0009363900000000, 0.0012301600000000 ] - [ 0.0000432900000000, -0.0008381100000000, 0.0001569100000000 ] - [ 0.0001637600000000, -0.0006724900000000, -0.0005322200000000 ] - [ 0.0000913600000000, -0.0002699200000000, -0.0001633700000000 ] - [ 0.0002814000000000, -0.0006889400000000, -0.0004907200000000 ] - [ -0.0002193700000000, 0.0001189500000000, -0.0004677000000000 ] - [ -0.0015175900000000, -0.0007604700000000, 0.0002338800000000 ] - [ -0.0005035900000000, -0.0002836500000000, 0.0007110300000000 ] - [ 0.0003612300000000, 0.0011489700000000, -0.0000817500000000 ] - [ -0.0009045200000000, 0.0018041300000000, 0.0011771000000000 ] - [ 0.0001038100000000, 0.0027574900000000, 0.0008435700000000 ] - [ -0.0005967500000000, -0.0010400500000000, -0.0007470100000000 ] - [ 0.0001558000000000, -0.0018429300000000, -0.0049947700000000 ] - [ -0.0002439400000000, 0.0003834200000000, 0.0004531300000000 ] - [ 0.0000952000000000, 0.0017614000000000, -0.0001919500000000 ] - [ 0.0002655300000000, 0.0003781500000000, 0.0002101000000000 ] - [ -0.0000619900000000, -0.0000339400000000, 0.0003192800000000 ] - [ 0.0000409600000000, 0.0005853400000000, 0.0004376300000000 ] - [ -0.0000561100000000, -0.0004207900000000, 0.0005523600000000 ] - [ 0.0003696100000000, -0.0001844200000000, -0.0002013200000000 ] - [ -0.0000212300000000, -0.0009273300000000, 0.0000339000000000 ] - [ 0.0008899900000000, -0.0011647800000000, -0.0006181200000000 ] - [ -0.0005291300000000, 0.0000577400000000, 0.0002768400000000 ] - [ 0.0007772100000000, -0.0007369600000000, -0.0001542400000000 ] - [ -0.0002024300000000, -0.0006544400000000, -0.0002490700000000 ] - [ -0.0003029400000000, -0.0003761800000000, -0.0001904200000000 ] - [ 0.0007884600000000, -0.0004231700000000, -0.0005670200000000 ] - [ 0.0001675500000000, -0.0002283900000000, -0.0002217800000000 ]- atom: 4 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000619000000000, 0.0002278800000000, 0.0000861700000000 ] - [ -0.0000982800000000, -0.0001918600000000, 0.0000231600000000 ] - [ -0.0001048800000000, -0.0005270800000000, -0.0002233300000000 ] - [ -0.0045961000000000, 0.0299465100000000, -0.0006290800000000 ] - [ -0.0000542500000000, -0.0006585000000000, -0.0001347300000000 ] - [ 0.0000034600000000, -0.0005842100000000, 0.0000132400000000 ] - [ -0.0001110200000000, -0.0002168900000000, -0.0000938000000000 ] - [ 0.0004317400000000, 0.0002241400000000, 0.0001178400000000 ] - [ 0.0000531300000000, 0.0006509500000000, -0.0000423100000000 ] - [ -0.0000371100000000, -0.0002501200000000, 0.0000545900000000 ] - [ 0.0000581400000000, 0.0007599700000000, 0.0001946200000000 ] - [ -0.0021335400000000, -0.0001138200000000, -0.0015735700000000 ] - [ 0.0010790800000000, -0.0007767100000000, 0.0002739000000000 ] - [ 0.0042497700000000, 0.0007847600000000, -0.0020429800000000 ] - [ 0.0000005700000000, -0.0005919700000000, 0.0000651400000000 ] - [ -0.0004146900000000, -0.0001537300000000, 0.0002487200000000 ] - [ -0.0000532900000000, -0.0005321600000000, -0.0000413200000000 ] - [ -0.0003338900000000, -0.0002939300000000, -0.0002831800000000 ] - [ -0.0004806500000000, -0.0006465200000000, -0.0004750100000000 ] - [ 0.0000499300000000, 0.0007282900000000, 0.0000740200000000 ] - [ 0.0003010400000000, -0.0001495900000000, -0.0000705100000000 ] - [ -0.0000816200000000, -0.0000806300000000, -0.0000943300000000 ] - [ 0.0001830800000000, -0.0031545700000000, 0.0027852200000000 ] - [ 0.0001074200000000, 0.0009343900000000, -0.0001148900000000 ] - [ 0.0005892800000000, 0.0008895700000000, 0.0001022200000000 ] - [ 0.0003905800000000, 0.0005563500000000, -0.0042843800000000 ] - [ -0.0000427400000000, -0.0009892500000000, 0.0012243200000000 ] - [ -0.0002429200000000, -0.0012388500000000, 0.0000305600000000 ] - [ 0.0001652700000000, -0.0009934300000000, 0.0000240600000000 ] - [ -0.0005041400000000, 0.0012440200000000, 0.0016725800000000 ] - [ 0.0000120700000000, -0.0007789300000000, 0.0002352900000000 ] - [ 0.0000172400000000, -0.0007451100000000, -0.0001609900000000 ] - [ 0.0000220000000000, 0.0001187300000000, 0.0007614900000000 ] - [ -0.0004376500000000, -0.0011732000000000, -0.0002510800000000 ] - [ -0.0003673600000000, 0.0005462900000000, 0.0003641700000000 ] - [ -0.0008598400000000, -0.0034003300000000, 0.0061633900000000 ] - [ -0.0002169800000000, -0.0002356200000000, -0.0006074800000000 ] - [ 0.0001873100000000, -0.0011394000000000, -0.0006187800000000 ] - [ -0.0001232700000000, -0.0011529800000000, 0.0000172900000000 ] - [ 0.0000623700000000, -0.0007956400000000, -0.0004006600000000 ] - [ 0.0002600000000000, 0.0015142500000000, 0.0013714000000000 ] - [ -0.0024734100000000, 0.0032882500000000, -0.0029515400000000 ] - [ 0.0001201400000000, -0.0010141100000000, -0.0001273400000000 ] - [ -0.0020769200000000, -0.0015958000000000, 0.0008013200000000 ] - [ -0.0001187900000000, -0.0001047600000000, 0.0005390700000000 ] - [ 0.0017951100000000, -0.0016956700000000, -0.0011377600000000 ] - [ 0.0030978000000000, 0.0039546700000000, -0.0042506000000000 ] - [ -0.0001638000000000, -0.0016662200000000, -0.0000975500000000 ] - [ 0.0012640000000000, 0.0004226800000000, 0.0001341600000000 ] - [ 0.0003965900000000, -0.0001390200000000, -0.0000241700000000 ] - [ -0.0041487900000000, -0.0012418900000000, -0.0000597300000000 ] - [ 0.0003035000000000, -0.0002550200000000, 0.0000546200000000 ] - [ 0.0003346400000000, 0.0002549000000000, 0.0000490000000000 ] - [ -0.0006531600000000, 0.0000384000000000, 0.0001453400000000 ] - [ 0.0001339900000000, -0.0011712900000000, -0.0000615800000000 ] - [ -0.0001299400000000, -0.0000585500000000, -0.0001232100000000 ] - [ -0.0000322100000000, -0.0004464900000000, -0.0001150500000000 ] - [ 0.0001383200000000, -0.0008153600000000, 0.0000828000000000 ] - [ -0.0003421700000000, -0.0004254800000000, -0.0000516800000000 ] - [ 0.0000628300000000, 0.0017852800000000, 0.0002655900000000 ] - [ -0.0002572600000000, 0.0001782800000000, -0.0003990500000000 ] - [ -0.0000375500000000, -0.0002203500000000, 0.0003647700000000 ] - [ -0.0027554100000000, 0.0006691500000000, 0.0009974500000000 ] - [ 0.0000752300000000, -0.0006271100000000, -0.0000839200000000 ] - [ -0.0012818700000000, -0.0108099200000000, -0.0018897800000000 ] - [ 0.0054707400000000, -0.0013579200000000, 0.0037674700000000 ] - [ 0.0001777000000000, -0.0005808800000000, 0.0000357300000000 ] - [ 0.0001147600000000, 0.0007473300000000, -0.0006560600000000 ] - [ -0.0000093700000000, -0.0001744500000000, -0.0002076400000000 ] - [ 0.0000836100000000, 0.0002828500000000, -0.0002924100000000 ] - [ -0.0010235000000000, -0.0008922600000000, 0.0006652700000000 ] - [ 0.0002421300000000, -0.0005112100000000, 0.0000641200000000 ] - [ -0.0002494700000000, -0.0006402000000000, 0.0003997500000000 ] - [ -0.0000008800000000, -0.0001748300000000, 0.0003095200000000 ] - [ 0.0005564900000000, 0.0000097200000000, 0.0003083000000000 ] - [ -0.0002854900000000, -0.0005430000000000, 0.0002424200000000 ] - [ 0.0001245900000000, -0.0012153700000000, 0.0000379100000000 ] - [ 0.0000071200000000, -0.0009994800000000, -0.0001162300000000 ] - [ -0.0002570400000000, -0.0026776200000000, -0.0012296100000000 ] - [ -0.0000463900000000, 0.0013074300000000, 0.0001374800000000 ] - [ 0.0003010700000000, 0.0009604800000000, 0.0000216200000000 ] - [ -0.0000938400000000, 0.0002244300000000, 0.0005767200000000 ] - [ -0.0003008100000000, -0.0000695900000000, 0.0002192900000000 ] - [ -0.0002372500000000, 0.0010770700000000, -0.0001802100000000 ] - [ -0.0001390200000000, -0.0008901500000000, -0.0000858900000000 ] - [ 0.0001697000000000, -0.0000651600000000, -0.0011884300000000 ] - [ 0.0000340600000000, 0.0002900300000000, -0.0000267200000000 ] - [ 0.0003386900000000, 0.0001980800000000, -0.0000173300000000 ] - [ -0.0002060800000000, 0.0002764200000000, 0.0001677000000000 ] - [ 0.0002227700000000, 0.0003474800000000, 0.0000750400000000 ] - [ 0.0001615400000000, 0.0003012200000000, 0.0000333800000000 ] - [ -0.0000873400000000, 0.0011799500000000, 0.0001843500000000 ] - [ -0.0002701800000000, -0.0005367700000000, -0.0003918500000000 ] - [ 0.0033582400000000, -0.0049895200000000, -0.0003541300000000 ] - [ -0.0001360100000000, -0.0006644600000000, -0.0000335600000000 ] - [ 0.0002049300000000, -0.0000627100000000, -0.0002257600000000 ] - [ 0.0001028400000000, -0.0007479100000000, 0.0001024700000000 ] - [ 0.0002298300000000, -0.0000997500000000, -0.0000212900000000 ] - [ 0.0000077700000000, 0.0006924300000000, -0.0003494100000000 ] - [ -0.0003038600000000, 0.0007316100000000, -0.0002299500000000 ] - [ -0.0001578200000000, -0.0003793100000000, 0.0001427700000000 ] - [ -0.0003550100000000, 0.0004708800000000, -0.0004801300000000 ] - [ 0.0002935200000000, 0.0000570000000000, 0.0009185300000000 ] - [ -0.0006833800000000, -0.0004649400000000, 0.0006119000000000 ] - [ 0.0012206700000000, -0.0023611800000000, -0.0002270000000000 ] - [ -0.0001090000000000, -0.0000442500000000, -0.0000090200000000 ] - [ -0.0000220400000000, 0.0006264700000000, 0.0000948000000000 ] - [ 0.0001832700000000, 0.0005563600000000, -0.0002465100000000 ] - [ 0.0000491200000000, 0.0002128800000000, 0.0001331300000000 ] - [ -0.0002354200000000, 0.0008522400000000, 0.0004853800000000 ] - [ -0.0001025300000000, 0.0001288700000000, 0.0001736200000000 ] - [ 0.0002673100000000, 0.0004706200000000, 0.0002570800000000 ] - [ 0.0002160000000000, -0.0000690800000000, -0.0003507200000000 ] - [ -0.0002996700000000, -0.0002608400000000, 0.0000406000000000 ] - [ -0.0000151100000000, -0.0006029400000000, 0.0002884200000000 ] - [ 0.0002791200000000, 0.0004768900000000, -0.0000586800000000 ] - [ 0.0003713300000000, 0.0002657000000000, 0.0001297600000000 ] - [ 0.0011035400000000, -0.0001340800000000, -0.0003282900000000 ] - [ -0.0001368900000000, 0.0004679600000000, -0.0000824900000000 ] - [ 0.0001672300000000, -0.0013101300000000, -0.0006050700000000 ] - [ -0.0002287100000000, -0.0006994300000000, 0.0000071500000000 ] - [ -0.0001392000000000, 0.0008235700000000, -0.0003028500000000 ] - [ -0.0000966700000000, 0.0006414000000000, -0.0000596000000000 ] - [ 0.0000510800000000, 0.0008006200000000, 0.0000614400000000 ] - [ -0.0000866700000000, -0.0000640600000000, -0.0001350300000000 ] - [ 0.0000739700000000, -0.0003331000000000, 0.0004661600000000 ] - [ -0.0000912300000000, 0.0006887300000000, -0.0003105900000000 ] - [ -0.0003464900000000, 0.0000596400000000, 0.0002262100000000 ] - [ 0.0004251600000000, 0.0004038200000000, -0.0002184100000000 ] - [ 0.0002310400000000, 0.0006613700000000, 0.0002917900000000 ] - [ -0.0002842000000000, 0.0002161300000000, -0.0000861300000000 ] - [ 0.0022727100000000, 0.0029940000000000, -0.0007013900000000 ] - [ 0.0004975800000000, -0.0033763200000000, 0.0003248900000000 ] - [ -0.0000074700000000, 0.0010240900000000, -0.0000590700000000 ] - [ -0.0002401300000000, 0.0000553300000000, 0.0000859500000000 ] - [ 0.0003127700000000, -0.0011456500000000, 0.0003172600000000 ] - [ 0.0004597800000000, 0.0004297900000000, -0.0001170700000000 ] - [ -0.0023799000000000, -0.0037016800000000, -0.0000995200000000 ] - [ 0.0000716400000000, 0.0013865100000000, -0.0001986500000000 ] - [ -0.0003365900000000, -0.0001302500000000, 0.0002154600000000 ] - [ -0.0001370300000000, 0.0001882100000000, 0.0001371600000000 ] - [ -0.0002212100000000, -0.0002229700000000, -0.0000324800000000 ] - [ -0.0001365800000000, 0.0010013400000000, 0.0000392400000000 ] - [ -0.0014189900000000, 0.0008680500000000, -0.0007786400000000 ] - [ -0.0001735300000000, 0.0001879200000000, 0.0023932900000000 ] - [ 0.0004248000000000, 0.0012786100000000, -0.0001797100000000 ] - [ -0.0001436400000000, -0.0006450300000000, 0.0002453100000000 ] - [ -0.0006688200000000, 0.0005286200000000, -0.0003784500000000 ] - [ -0.0016119700000000, -0.0016962500000000, -0.0012843300000000 ] - [ 0.0002214800000000, 0.0006992700000000, 0.0001472700000000 ] - [ 0.0000692600000000, 0.0005055300000000, 0.0000875300000000 ] - [ 0.0001416400000000, 0.0004341700000000, -0.0002796100000000 ] - [ 0.0002019300000000, 0.0001919100000000, -0.0003536300000000 ] - [ 0.0006389200000000, 0.0007660700000000, 0.0005077800000000 ] - [ 0.0010777800000000, 0.0006850100000000, 0.0000047900000000 ] - [ 0.0002029500000000, 0.0004861300000000, -0.0003765600000000 ] - [ -0.0000431400000000, -0.0018738400000000, 0.0003238400000000 ] - [ 0.0013068600000000, -0.0019110100000000, -0.0009699900000000 ] - [ 0.0002387500000000, -0.0033219900000000, -0.0014337100000000 ] - [ 0.0008996500000000, 0.0008313600000000, 0.0004153600000000 ] - [ -0.0000213300000000, 0.0018618100000000, 0.0040824800000000 ] - [ 0.0000928000000000, 0.0008201300000000, -0.0001200700000000 ] - [ -0.0002794100000000, -0.0014320200000000, 0.0000703600000000 ] - [ 0.0001089000000000, -0.0002893600000000, -0.0005558600000000 ] - [ -0.0003680700000000, 0.0000998700000000, -0.0000818600000000 ] - [ -0.0002736000000000, -0.0004163900000000, 0.0000060900000000 ] - [ -0.0000787600000000, 0.0004371200000000, 0.0003227400000000 ] - [ -0.0000646100000000, 0.0003888100000000, -0.0001353700000000 ] - [ 0.0002067400000000, 0.0006015400000000, 0.0000906200000000 ] - [ 0.0000219400000000, 0.0006133200000000, 0.0004985200000000 ] - [ -0.0003811400000000, 0.0004859800000000, -0.0001514100000000 ] - [ -0.0001947900000000, 0.0005120700000000, -0.0002970100000000 ] - [ -0.0001046700000000, 0.0007141700000000, -0.0000852300000000 ] - [ -0.0002795100000000, 0.0003455900000000, -0.0004149600000000 ] - [ -0.0003634400000000, -0.0004650300000000, 0.0006056100000000 ] - [ 0.0004130500000000, 0.0004487300000000, -0.0002294300000000 ]- atom: 4 displacement: [ -0.0035230240541542, 0.0000000000000000, 0.0093588621911988 ] forces: - [ 0.0003036000000000, 0.0000250100000000, 0.0005160900000000 ] - [ -0.0000848700000000, 0.0002002600000000, -0.0001204500000000 ] - [ 0.0003976400000000, -0.0002426500000000, -0.0005721400000000 ] - [ 0.0168244800000000, -0.0011694600000000, -0.0200681500000000 ] - [ -0.0000507200000000, -0.0003259600000000, -0.0000481800000000 ] - [ -0.0000960800000000, -0.0001568200000000, -0.0001957100000000 ] - [ -0.0000893000000000, 0.0000899100000000, -0.0000127900000000 ] - [ 0.0004143200000000, 0.0001362200000000, 0.0004506900000000 ] - [ 0.0001518700000000, -0.0000436800000000, 0.0009439300000000 ] - [ -0.0000600800000000, 0.0000381900000000, 0.0001826900000000 ] - [ -0.0001710300000000, 0.0003817500000000, 0.0008200800000000 ] - [ 0.0012854100000000, 0.0005371300000000, -0.0006418300000000 ] - [ 0.0004108100000000, -0.0001001000000000, -0.0002357000000000 ] - [ -0.0054953000000000, 0.0034654300000000, 0.0004852600000000 ] - [ -0.0000065200000000, -0.0000546200000000, -0.0000569900000000 ] - [ -0.0004279800000000, -0.0002224700000000, 0.0003581000000000 ] - [ -0.0000296000000000, -0.0002494500000000, 0.0000858300000000 ] - [ -0.0005826900000000, -0.0000036400000000, 0.0001809500000000 ] - [ -0.0003688300000000, 0.0004339600000000, -0.0002321900000000 ] - [ -0.0001072000000000, 0.0003442100000000, 0.0005079300000000 ] - [ 0.0002866900000000, 0.0000044500000000, 0.0000955000000000 ] - [ -0.0000391500000000, 0.0002790500000000, -0.0002408700000000 ] - [ 0.0007218600000000, -0.0026084300000000, 0.0002193900000000 ] - [ -0.0006051700000000, 0.0002661700000000, -0.0005586400000000 ] - [ -0.0002186300000000, 0.0004536900000000, 0.0012713900000000 ] - [ -0.0000481300000000, 0.0021359500000000, 0.0027981100000000 ] - [ -0.0012379800000000, -0.0013780800000000, 0.0002225900000000 ] - [ -0.0001602300000000, -0.0006306700000000, -0.0004084100000000 ] - [ 0.0000650000000000, 0.0001137400000000, -0.0002604800000000 ] - [ -0.0016594300000000, -0.0011299900000000, 0.0034946400000000 ] - [ -0.0001514000000000, 0.0004042300000000, 0.0004794600000000 ] - [ 0.0000824900000000, 0.0002837800000000, 0.0000997000000000 ] - [ -0.0000034000000000, 0.0000477600000000, 0.0008253300000000 ] - [ -0.0003249000000000, 0.0000077500000000, -0.0004300900000000 ] - [ -0.0011644200000000, -0.0010247600000000, -0.0003077200000000 ] - [ 0.0014531500000000, -0.0061864000000000, 0.0008787700000000 ] - [ 0.0007203300000000, 0.0004348700000000, 0.0006442100000000 ] - [ 0.0002630200000000, -0.0002072500000000, 0.0002551600000000 ] - [ -0.0002061900000000, -0.0005670800000000, 0.0000570100000000 ] - [ 0.0000624900000000, 0.0002715200000000, -0.0003570000000000 ] - [ 0.0014613200000000, -0.0005780800000000, 0.0010400900000000 ] - [ 0.0061363500000000, 0.0018423400000000, 0.0005074700000000 ] - [ -0.0000179000000000, -0.0000091100000000, -0.0000325500000000 ] - [ -0.0003530600000000, -0.0007586300000000, -0.0009639400000000 ] - [ 0.0000022800000000, -0.0008338800000000, 0.0012907200000000 ] - [ -0.0007209300000000, 0.0019722700000000, -0.0013182400000000 ] - [ -0.0073660500000000, 0.0053569200000000, 0.0071617500000000 ] - [ 0.0000748400000000, 0.0008381700000000, 0.0004064100000000 ] - [ 0.0017662800000000, -0.0009246000000000, -0.0003364800000000 ] - [ -0.0001609900000000, 0.0008943900000000, 0.0001182200000000 ] - [ -0.0054820300000000, -0.0021967200000000, -0.0043277700000000 ] - [ 0.0001038600000000, 0.0000431900000000, 0.0007561000000000 ] - [ 0.0003516100000000, 0.0000892500000000, -0.0002426200000000 ] - [ 0.0000905900000000, 0.0006730400000000, -0.0000158000000000 ] - [ 0.0001671700000000, -0.0000362300000000, 0.0000266700000000 ] - [ -0.0002967900000000, -0.0004921000000000, -0.0010260500000000 ] - [ 0.0000734700000000, 0.0003857400000000, -0.0001207800000000 ] - [ 0.0001668300000000, -0.0006068100000000, 0.0000183400000000 ] - [ -0.0003756600000000, -0.0004605900000000, -0.0000130500000000 ] - [ 0.0004970600000000, -0.0006089300000000, 0.0016322500000000 ] - [ -0.0002867500000000, 0.0005124100000000, 0.0018387200000000 ] - [ 0.0001654900000000, 0.0001334900000000, -0.0000329600000000 ] - [ -0.0050057300000000, -0.0024561200000000, 0.0014855200000000 ] - [ -0.0008404900000000, 0.0000470600000000, 0.0003875000000000 ] - [ 0.0005672800000000, 0.0016625300000000, -0.0055052500000000 ] - [ -0.0001338500000000, -0.0014471400000000, -0.0061697900000000 ] - [ -0.0002225500000000, 0.0001112500000000, -0.0003063400000000 ] - [ 0.0005118100000000, 0.0000874600000000, 0.0007939500000000 ] - [ -0.0002143000000000, 0.0003133900000000, -0.0000357900000000 ] - [ 0.0002708700000000, -0.0001427300000000, 0.0009693500000000 ] - [ -0.0001159200000000, 0.0000575800000000, -0.0001909100000000 ] - [ 0.0001545400000000, 0.0002485500000000, 0.0000309300000000 ] - [ -0.0000515500000000, -0.0004807600000000, 0.0005617600000000 ] - [ -0.0002435400000000, 0.0000967100000000, 0.0006173600000000 ] - [ 0.0006415200000000, 0.0000355900000000, 0.0008578100000000 ] - [ -0.0000726100000000, -0.0001450000000000, 0.0003172500000000 ] - [ 0.0000853400000000, -0.0005098800000000, -0.0000916000000000 ] - [ -0.0000075000000000, -0.0003109200000000, -0.0001023600000000 ] - [ 0.0006504600000000, 0.0042768800000000, 0.0002911500000000 ] - [ -0.0008399900000000, -0.0000083900000000, 0.0000513400000000 ] - [ 0.0002471700000000, 0.0004423800000000, -0.0000072900000000 ] - [ -0.0000049500000000, -0.0000251800000000, -0.0000707800000000 ] - [ -0.0004462700000000, -0.0000373300000000, -0.0002094500000000 ] - [ -0.0001843300000000, 0.0004505800000000, -0.0001356200000000 ] - [ 0.0001894600000000, 0.0003025400000000, 0.0002947500000000 ] - [ 0.0000271600000000, 0.0004560700000000, -0.0011258400000000 ] - [ 0.0003586600000000, -0.0001156900000000, -0.0003536500000000 ] - [ 0.0000298000000000, -0.0001200100000000, 0.0004482500000000 ] - [ -0.0001541300000000, -0.0000407800000000, -0.0000493200000000 ] - [ 0.0002531800000000, -0.0005057900000000, 0.0000887200000000 ] - [ 0.0000466100000000, 0.0002359700000000, -0.0002065700000000 ] - [ -0.0000963400000000, 0.0005904500000000, 0.0001625400000000 ] - [ -0.0008592500000000, 0.0002687400000000, 0.0039487800000000 ] - [ -0.0027227700000000, 0.0019529900000000, 0.0052322900000000 ] - [ -0.0002369900000000, -0.0001331800000000, -0.0000420700000000 ] - [ 0.0002030700000000, -0.0000878500000000, -0.0001914200000000 ] - [ 0.0002542800000000, 0.0001786800000000, -0.0000346400000000 ] - [ -0.0000036400000000, -0.0008766300000000, -0.0000691500000000 ] - [ -0.0002996700000000, 0.0001208700000000, 0.0006408300000000 ] - [ -0.0002466700000000, 0.0006243200000000, -0.0000154200000000 ] - [ 0.0005385200000000, -0.0005135200000000, -0.0030371500000000 ] - [ -0.0001752600000000, 0.0001897100000000, 0.0000189000000000 ] - [ 0.0002021300000000, -0.0002684600000000, -0.0008891000000000 ] - [ 0.0003258800000000, -0.0012034000000000, -0.0002151900000000 ] - [ 0.0028825400000000, -0.0003934800000000, -0.0005719400000000 ] - [ 0.0002929500000000, -0.0000529300000000, -0.0010278700000000 ] - [ -0.0002822700000000, -0.0000475000000000, 0.0003127100000000 ] - [ 0.0002031200000000, 0.0001347100000000, -0.0007146200000000 ] - [ 0.0001622400000000, -0.0002326600000000, -0.0004386000000000 ] - [ -0.0001513300000000, 0.0003486700000000, 0.0005404500000000 ] - [ -0.0001735300000000, -0.0002197700000000, 0.0001225700000000 ] - [ 0.0004158900000000, -0.0000308600000000, 0.0003742000000000 ] - [ 0.0003276500000000, 0.0005889200000000, -0.0011357100000000 ] - [ -0.0004411700000000, 0.0009376400000000, 0.0002876900000000 ] - [ -0.0000232900000000, -0.0002444300000000, -0.0011727100000000 ] - [ 0.0000668900000000, -0.0000685000000000, 0.0000755700000000 ] - [ 0.0000924200000000, 0.0000475100000000, -0.0002609300000000 ] - [ 0.0017248500000000, 0.0026922300000000, 0.0002396400000000 ] - [ -0.0000653600000000, -0.0004750200000000, -0.0001261100000000 ] - [ -0.0003514700000000, 0.0007253300000000, -0.0009903500000000 ] - [ 0.0006012400000000, 0.0002688500000000, -0.0005777200000000 ] - [ -0.0001252800000000, 0.0004009400000000, 0.0002155400000000 ] - [ -0.0001501400000000, -0.0001068300000000, -0.0001841300000000 ] - [ 0.0001276300000000, 0.0001936500000000, 0.0000653000000000 ] - [ -0.0001258400000000, -0.0003007900000000, -0.0000861600000000 ] - [ -0.0006922600000000, -0.0001246300000000, -0.0010907300000000 ] - [ -0.0000663300000000, -0.0000986100000000, -0.0003871800000000 ] - [ 0.0005483300000000, -0.0003946200000000, 0.0002086200000000 ] - [ 0.0004329100000000, 0.0003299900000000, -0.0000372600000000 ] - [ 0.0004880600000000, -0.0001678400000000, -0.0002563500000000 ] - [ -0.0002508000000000, -0.0000658900000000, -0.0003167300000000 ] - [ -0.0010032100000000, 0.0001014600000000, 0.0017770000000000 ] - [ -0.0015646600000000, -0.0003388800000000, 0.0033141900000000 ] - [ 0.0002271700000000, 0.0002066300000000, -0.0003405600000000 ] - [ -0.0005084700000000, -0.0001408800000000, -0.0001121900000000 ] - [ -0.0005037600000000, 0.0003819300000000, -0.0012189500000000 ] - [ 0.0004424000000000, 0.0000895400000000, 0.0000505500000000 ] - [ -0.0007149400000000, -0.0004724400000000, 0.0045151600000000 ] - [ 0.0000675000000000, 0.0008223900000000, -0.0001760700000000 ] - [ -0.0004864200000000, -0.0002863000000000, 0.0000766700000000 ] - [ -0.0002017900000000, -0.0005906700000000, 0.0001928700000000 ] - [ -0.0006253900000000, -0.0000983400000000, -0.0007121300000000 ] - [ 0.0000932600000000, -0.0002484400000000, -0.0003564900000000 ] - [ 0.0003807300000000, 0.0001275500000000, 0.0018896200000000 ] - [ -0.0012998400000000, -0.0022713700000000, -0.0011690800000000 ] - [ -0.0001163200000000, -0.0001150600000000, 0.0005115400000000 ] - [ -0.0003542900000000, 0.0001586800000000, -0.0007753300000000 ] - [ -0.0007103100000000, 0.0001156800000000, 0.0000706200000000 ] - [ -0.0022825200000000, 0.0005191200000000, -0.0011775100000000 ] - [ 0.0001472400000000, 0.0000544000000000, 0.0003820200000000 ] - [ 0.0000970800000000, -0.0000184900000000, -0.0000151300000000 ] - [ 0.0001353900000000, 0.0001180000000000, -0.0004694000000000 ] - [ 0.0002839400000000, -0.0003035700000000, -0.0002632100000000 ] - [ -0.0001915500000000, -0.0000576400000000, -0.0002634400000000 ] - [ 0.0020888900000000, 0.0010388700000000, 0.0007745900000000 ] - [ -0.0000119300000000, 0.0008671900000000, -0.0003351200000000 ] - [ -0.0006136300000000, -0.0004884800000000, 0.0003550700000000 ] - [ 0.0018526600000000, 0.0009113200000000, 0.0015860700000000 ] - [ 0.0000331700000000, 0.0002634400000000, 0.0037340400000000 ] - [ -0.0013359500000000, -0.0018343300000000, -0.0001504900000000 ] - [ -0.0003023300000000, -0.0029156300000000, 0.0013373800000000 ] - [ 0.0000693300000000, 0.0010870000000000, 0.0003642100000000 ] - [ -0.0001081100000000, 0.0000920200000000, -0.0014876700000000 ] - [ 0.0002359500000000, -0.0001295400000000, -0.0012985800000000 ] - [ -0.0004553900000000, 0.0001684100000000, -0.0002603600000000 ] - [ 0.0004279500000000, 0.0001274700000000, 0.0012377200000000 ] - [ -0.0000983100000000, -0.0000067100000000, 0.0007270500000000 ] - [ 0.0004037800000000, -0.0002551900000000, -0.0001619800000000 ] - [ 0.0000277900000000, -0.0002995800000000, 0.0000454700000000 ] - [ 0.0012149400000000, -0.0021835300000000, 0.0000210800000000 ] - [ -0.0001789200000000, 0.0007404000000000, -0.0000806200000000 ] - [ 0.0007168800000000, -0.0000698800000000, 0.0002055700000000 ] - [ -0.0002540600000000, -0.0000770300000000, -0.0001387000000000 ] - [ -0.0003316800000000, 0.0000592200000000, -0.0005124900000000 ] - [ 0.0012588800000000, -0.0011758200000000, 0.0000858300000000 ] - [ 0.0001508400000000, 0.0000724400000000, -0.0004822900000000 ]- atom: 4 displacement: [ 0.0035230240541542, 0.0000000000000000, -0.0093588621911988 ] forces: - [ -0.0001126700000000, -0.0002376100000000, -0.0003323200000000 ] - [ -0.0000420200000000, 0.0002378300000000, 0.0000638000000000 ] - [ 0.0002161600000000, 0.0002351900000000, 0.0004257000000000 ] - [ -0.0169678200000000, 0.0005619700000000, 0.0207514000000000 ] - [ -0.0000418900000000, -0.0003380600000000, -0.0002312600000000 ] - [ -0.0000941000000000, -0.0000560000000000, 0.0000110600000000 ] - [ -0.0001007000000000, 0.0001231900000000, -0.0001713100000000 ] - [ 0.0004516400000000, 0.0001992900000000, -0.0002346000000000 ] - [ -0.0000946400000000, -0.0000601700000000, -0.0010616200000000 ] - [ 0.0000011100000000, 0.0000656200000000, -0.0000692400000000 ] - [ 0.0002620200000000, 0.0002841500000000, -0.0005403700000000 ] - [ -0.0011653600000000, -0.0009822900000000, 0.0006880300000000 ] - [ 0.0004580700000000, -0.0002377400000000, 0.0004535400000000 ] - [ 0.0055026800000000, -0.0033270300000000, -0.0006119500000000 ] - [ -0.0000522600000000, -0.0000497000000000, 0.0001708300000000 ] - [ -0.0001856700000000, 0.0002135700000000, -0.0002107100000000 ] - [ -0.0000973000000000, -0.0001890900000000, -0.0001430300000000 ] - [ -0.0002837800000000, -0.0003341400000000, -0.0003975500000000 ] - [ -0.0004980300000000, -0.0000993300000000, 0.0000137100000000 ] - [ 0.0002357700000000, 0.0000932400000000, -0.0004499700000000 ] - [ 0.0003268600000000, 0.0000059000000000, -0.0002434700000000 ] - [ -0.0000532900000000, 0.0003850800000000, -0.0000385400000000 ] - [ -0.0013294200000000, 0.0026114000000000, -0.0000827800000000 ] - [ 0.0007970100000000, -0.0000544900000000, 0.0007453500000000 ] - [ 0.0007393800000000, -0.0007734700000000, -0.0003535400000000 ] - [ 0.0001205600000000, -0.0025854800000000, -0.0025127500000000 ] - [ 0.0008635000000000, 0.0003555100000000, 0.0004363400000000 ] - [ -0.0003641100000000, 0.0003092500000000, -0.0005127800000000 ] - [ -0.0001344500000000, 0.0003599600000000, -0.0000262500000000 ] - [ 0.0018329200000000, 0.0014317100000000, -0.0043653200000000 ] - [ -0.0000347300000000, -0.0000902200000000, 0.0003905000000000 ] - [ 0.0000343900000000, 0.0000914900000000, -0.0000130400000000 ] - [ -0.0003685400000000, 0.0009795600000000, -0.0001602200000000 ] - [ -0.0002001100000000, 0.0003125400000000, -0.0004880700000000 ] - [ 0.0010535500000000, 0.0006530500000000, 0.0002225500000000 ] - [ -0.0012813900000000, 0.0059135200000000, -0.0017437300000000 ] - [ -0.0003235500000000, -0.0002523200000000, -0.0007299200000000 ] - [ 0.0001085200000000, -0.0008162600000000, -0.0009205000000000 ] - [ 0.0001355800000000, 0.0000929300000000, -0.0003463600000000 ] - [ 0.0003347100000000, -0.0004547100000000, 0.0002695300000000 ] - [ -0.0015679500000000, 0.0009504700000000, -0.0011435800000000 ] - [ -0.0056358000000000, -0.0015239300000000, 0.0004466100000000 ] - [ 0.0001342300000000, -0.0003659000000000, 0.0001222000000000 ] - [ -0.0000504600000000, 0.0009425500000000, 0.0010564600000000 ] - [ -0.0003968800000000, 0.0006427900000000, -0.0012026800000000 ] - [ 0.0010926600000000, -0.0009394800000000, 0.0006649000000000 ] - [ 0.0075249500000000, -0.0049511700000000, -0.0069472100000000 ] - [ -0.0002614400000000, -0.0011540500000000, 0.0004660300000000 ] - [ -0.0020878000000000, 0.0004494400000000, 0.0002868300000000 ] - [ 0.0002327600000000, -0.0004965900000000, 0.0000499600000000 ] - [ 0.0059194400000000, 0.0022596300000000, 0.0036000900000000 ] - [ 0.0001906300000000, -0.0001774600000000, -0.0002139300000000 ] - [ 0.0000696900000000, 0.0005711900000000, 0.0000018900000000 ] - [ -0.0005102400000000, -0.0000111000000000, 0.0002538400000000 ] - [ 0.0001493900000000, -0.0004390500000000, 0.0000271600000000 ] - [ 0.0005950500000000, -0.0002869100000000, 0.0005710400000000 ] - [ -0.0000405500000000, 0.0002252800000000, -0.0000955000000000 ] - [ 0.0002533500000000, -0.0000543400000000, -0.0002575300000000 ] - [ 0.0003017700000000, 0.0008552100000000, -0.0001556100000000 ] - [ -0.0005189600000000, -0.0000047800000000, -0.0014007500000000 ] - [ -0.0000069800000000, -0.0003806800000000, -0.0023865900000000 ] - [ 0.0001285000000000, -0.0000004900000000, 0.0005766000000000 ] - [ 0.0049860300000000, 0.0030863600000000, -0.0013023700000000 ] - [ 0.0004228400000000, -0.0007086900000000, -0.0001489800000000 ] - [ -0.0008701000000000, -0.0018412100000000, 0.0049420600000000 ] - [ 0.0003528000000000, 0.0012168600000000, 0.0060236300000000 ] - [ -0.0000319400000000, 0.0001508700000000, 0.0004491000000000 ] - [ -0.0002109800000000, 0.0006929900000000, -0.0012495400000000 ] - [ -0.0000866000000000, 0.0004666300000000, 0.0004909600000000 ] - [ -0.0000166900000000, 0.0004047700000000, -0.0011118400000000 ] - [ -0.0003312600000000, -0.0001248900000000, 0.0008849600000000 ] - [ 0.0001614300000000, 0.0002275600000000, 0.0000228600000000 ] - [ -0.0002490500000000, -0.0002997600000000, -0.0001066500000000 ] - [ -0.0002067400000000, -0.0000280400000000, 0.0000755800000000 ] - [ -0.0001926600000000, -0.0001048200000000, -0.0015547900000000 ] - [ -0.0001805200000000, -0.0001139900000000, -0.0001758000000000 ] - [ -0.0001571000000000, 0.0001139700000000, -0.0000766700000000 ] - [ 0.0000404300000000, -0.0003006700000000, -0.0001140600000000 ] - [ -0.0005807600000000, -0.0046854600000000, -0.0001284700000000 ] - [ 0.0005176900000000, 0.0004817800000000, -0.0001057800000000 ] - [ 0.0002278200000000, 0.0003599700000000, 0.0000729200000000 ] - [ -0.0001264300000000, 0.0000065300000000, 0.0009044900000000 ] - [ -0.0001074000000000, -0.0001353200000000, 0.0006829600000000 ] - [ -0.0000877900000000, 0.0003261000000000, -0.0001068600000000 ] - [ -0.0001197300000000, -0.0004215500000000, 0.0003722900000000 ] - [ 0.0004584300000000, -0.0003870500000000, 0.0013410200000000 ] - [ 0.0001294500000000, 0.0000092600000000, 0.0001018800000000 ] - [ -0.0005891800000000, 0.0002075500000000, -0.0006557800000000 ] - [ -0.0002366000000000, -0.0000285700000000, 0.0004617300000000 ] - [ 0.0002212400000000, -0.0002963400000000, -0.0000237500000000 ] - [ 0.0001826700000000, -0.0000963200000000, 0.0004871700000000 ] - [ -0.0001809900000000, 0.0004957100000000, 0.0001856600000000 ] - [ 0.0003819100000000, 0.0002525400000000, -0.0031158600000000 ] - [ 0.0033974700000000, -0.0020677300000000, -0.0046846700000000 ] - [ 0.0000839700000000, -0.0010453700000000, 0.0003822700000000 ] - [ 0.0000166600000000, -0.0010359800000000, -0.0001759900000000 ] - [ 0.0000176600000000, 0.0005995200000000, 0.0002807600000000 ] - [ 0.0001551800000000, -0.0003016600000000, -0.0002693400000000 ] - [ -0.0000916800000000, -0.0000531000000000, -0.0002264300000000 ] - [ -0.0001419600000000, 0.0002415500000000, -0.0000417300000000 ] - [ -0.0004092800000000, 0.0005350400000000, 0.0022133100000000 ] - [ -0.0003953900000000, -0.0001630000000000, -0.0005909200000000 ] - [ 0.0003679900000000, 0.0002937300000000, 0.0014621900000000 ] - [ -0.0005441100000000, 0.0000735400000000, 0.0005835700000000 ] - [ -0.0026203300000000, -0.0006954800000000, 0.0002295600000000 ] - [ -0.0005328200000000, 0.0001466800000000, 0.0012237400000000 ] - [ -0.0002019900000000, 0.0001179400000000, -0.0005280500000000 ] - [ 0.0002792300000000, 0.0003759600000000, -0.0001210800000000 ] - [ 0.0000748900000000, 0.0001432000000000, 0.0002448000000000 ] - [ -0.0001809000000000, 0.0001924300000000, 0.0000450400000000 ] - [ -0.0001599000000000, -0.0003244700000000, 0.0004653600000000 ] - [ 0.0001512800000000, -0.0000590600000000, -0.0001671000000000 ] - [ 0.0000031000000000, -0.0000500800000000, 0.0005514100000000 ] - [ 0.0005103200000000, -0.0008168700000000, 0.0003749000000000 ] - [ -0.0004562600000000, -0.0002656700000000, 0.0020129800000000 ] - [ 0.0001696600000000, 0.0001582300000000, -0.0002689600000000 ] - [ 0.0004735200000000, 0.0000437800000000, 0.0004670100000000 ] - [ -0.0014043100000000, -0.0025641200000000, 0.0000971400000000 ] - [ -0.0002066500000000, -0.0003014800000000, -0.0001171800000000 ] - [ 0.0006714000000000, -0.0008589400000000, 0.0013157000000000 ] - [ -0.0010704200000000, 0.0005344000000000, 0.0005126400000000 ] - [ -0.0001502300000000, -0.0006419500000000, 0.0001143400000000 ] - [ -0.0001758400000000, -0.0000332700000000, -0.0001479200000000 ] - [ 0.0000909000000000, 0.0001380600000000, 0.0000521600000000 ] - [ -0.0002606800000000, -0.0005650700000000, 0.0000259300000000 ] - [ 0.0004611700000000, -0.0000127900000000, 0.0008062500000000 ] - [ -0.0000031000000000, -0.0000221200000000, -0.0002757000000000 ] - [ -0.0007784500000000, 0.0005309900000000, -0.0004906600000000 ] - [ 0.0005094900000000, -0.0001860700000000, 0.0001614900000000 ] - [ 0.0004770200000000, 0.0007539800000000, 0.0001258900000000 ] - [ -0.0002340500000000, -0.0000057700000000, 0.0001019000000000 ] - [ 0.0007782000000000, -0.0001828900000000, -0.0015878200000000 ] - [ 0.0015622800000000, 0.0001563500000000, -0.0037504100000000 ] - [ -0.0000759700000000, 0.0009711000000000, 0.0000007500000000 ] - [ -0.0004318800000000, 0.0002825800000000, -0.0000098900000000 ] - [ 0.0007736900000000, 0.0007012300000000, 0.0008655300000000 ] - [ 0.0005014500000000, -0.0002333300000000, 0.0000723000000000 ] - [ 0.0011243800000000, 0.0004052900000000, -0.0049211000000000 ] - [ 0.0001513800000000, 0.0003053600000000, -0.0001917500000000 ] - [ -0.0004536600000000, 0.0001456900000000, -0.0002023500000000 ] - [ -0.0000746300000000, -0.0004953400000000, 0.0001550700000000 ] - [ 0.0000591800000000, 0.0000105300000000, 0.0005041000000000 ] - [ -0.0001619600000000, 0.0003696700000000, -0.0003094100000000 ] - [ -0.0009290700000000, 0.0000334500000000, -0.0014136300000000 ] - [ 0.0010969400000000, 0.0033624200000000, 0.0014658300000000 ] - [ 0.0006009900000000, 0.0002171300000000, -0.0007625100000000 ] - [ 0.0001203100000000, -0.0002922600000000, 0.0012036400000000 ] - [ -0.0002542900000000, -0.0007037500000000, 0.0000596400000000 ] - [ 0.0018210900000000, -0.0013253100000000, 0.0011089600000000 ] - [ 0.0000821500000000, -0.0001916700000000, -0.0001020600000000 ] - [ 0.0001350600000000, -0.0001135300000000, -0.0004086200000000 ] - [ 0.0000971000000000, 0.0000150500000000, 0.0000441100000000 ] - [ 0.0001987300000000, -0.0002061800000000, -0.0005719200000000 ] - [ 0.0005778800000000, 0.0009225600000000, 0.0003246500000000 ] - [ -0.0025811300000000, -0.0011483100000000, -0.0005179200000000 ] - [ -0.0002635000000000, -0.0006255700000000, 0.0006675800000000 ] - [ 0.0008852200000000, -0.0002872500000000, -0.0001151100000000 ] - [ -0.0014763800000000, -0.0010640500000000, -0.0012499300000000 ] - [ 0.0003345000000000, -0.0008172800000000, -0.0043041000000000 ] - [ 0.0016177200000000, 0.0016015600000000, -0.0001821800000000 ] - [ 0.0004265800000000, 0.0029172000000000, -0.0021338900000000 ] - [ -0.0002203400000000, 0.0000893900000000, -0.0000270700000000 ] - [ -0.0001100400000000, 0.0002396900000000, 0.0013576300000000 ] - [ 0.0001562600000000, 0.0001953900000000, 0.0008850300000000 ] - [ -0.0000298500000000, -0.0000652500000000, 0.0005117800000000 ] - [ -0.0006619300000000, 0.0000080300000000, -0.0008121100000000 ] - [ -0.0000332100000000, 0.0000263900000000, 0.0001036900000000 ] - [ -0.0001280600000000, 0.0004933500000000, -0.0001691200000000 ] - [ 0.0001900300000000, -0.0000321600000000, 0.0000714500000000 ] - [ -0.0002533100000000, 0.0016042600000000, -0.0001547000000000 ] - [ -0.0007821800000000, -0.0001537800000000, 0.0002145800000000 ] - [ -0.0001625100000000, -0.0001039300000000, -0.0006787600000000 ] - [ -0.0000709300000000, 0.0002158500000000, -0.0001941500000000 ] - [ -0.0002401300000000, -0.0000871200000000, -0.0000624800000000 ] - [ -0.0008759100000000, 0.0003142200000000, -0.0000314500000000 ] - [ 0.0004030100000000, 0.0001010000000000, 0.0000100600000000 ]- atom: 8 displacement: [ 0.0099999639143206, 0.0000000000000000, -0.0000268647033593 ] forces: - [ 0.0000407600000000, -0.0006043700000000, 0.0001540200000000 ] - [ -0.0000670600000000, 0.0002274600000000, -0.0000488100000000 ] - [ 0.0003254600000000, -0.0000267000000000, -0.0003008400000000 ] - [ 0.0001194200000000, -0.0003269000000000, 0.0001471900000000 ] - [ -0.0001409100000000, -0.0003728600000000, -0.0001076100000000 ] - [ -0.0000627200000000, 0.0001478400000000, 0.0001409100000000 ] - [ -0.0000550000000000, 0.0001576300000000, -0.0000919500000000 ] - [ -0.0288283000000000, -0.0017368600000000, 0.0009212600000000 ] - [ -0.0015787100000000, 0.0005776600000000, 0.0004861600000000 ] - [ 0.0001618300000000, -0.0003091500000000, 0.0001655100000000 ] - [ 0.0002695600000000, 0.0009764600000000, 0.0002008900000000 ] - [ 0.0000596800000000, -0.0003202700000000, 0.0001057800000000 ] - [ 0.0004312300000000, -0.0001649600000000, 0.0000859100000000 ] - [ 0.0000420900000000, 0.0001408700000000, -0.0001613400000000 ] - [ -0.0000107200000000, -0.0000387800000000, 0.0000555800000000 ] - [ -0.0002876900000000, 0.0000469000000000, 0.0000917900000000 ] - [ 0.0000352000000000, 0.0009847800000000, -0.0000568100000000 ] - [ 0.0005976900000000, -0.0008246800000000, 0.0009843500000000 ] - [ -0.0004155400000000, 0.0001765400000000, -0.0001050400000000 ] - [ 0.0008814400000000, 0.0001336700000000, -0.0000039300000000 ] - [ 0.0002718300000000, 0.0000165500000000, -0.0000696800000000 ] - [ -0.0000229200000000, 0.0002286500000000, -0.0002926800000000 ] - [ 0.0002559300000000, -0.0000511100000000, 0.0002212300000000 ] - [ 0.0000932200000000, 0.0000818800000000, 0.0000441200000000 ] - [ -0.0002626500000000, 0.0001110000000000, 0.0003422000000000 ] - [ 0.0004894000000000, -0.0001655800000000, 0.0000808300000000 ] - [ -0.0041806500000000, -0.0006797500000000, -0.0002308500000000 ] - [ 0.0018066300000000, -0.0001898600000000, -0.0003536700000000 ] - [ -0.0000755400000000, 0.0003470000000000, -0.0001966000000000 ] - [ 0.0059176100000000, 0.0036344800000000, -0.0057392200000000 ] - [ -0.0000519800000000, 0.0000865400000000, 0.0004136800000000 ] - [ -0.0000106600000000, 0.0003245700000000, 0.0000973200000000 ] - [ -0.0001983900000000, 0.0004824500000000, 0.0003350300000000 ] - [ -0.0002433800000000, 0.0001746500000000, -0.0004066600000000 ] - [ 0.0002158500000000, -0.0002039700000000, -0.0000716800000000 ] - [ -0.0000893000000000, -0.0001020300000000, -0.0003719400000000 ] - [ 0.0021167900000000, 0.0020685800000000, -0.0044945600000000 ] - [ 0.0002933800000000, -0.0004780400000000, -0.0003442200000000 ] - [ -0.0033461500000000, -0.0022961000000000, -0.0014315000000000 ] - [ 0.0001288700000000, -0.0000792000000000, -0.0000494000000000 ] - [ 0.0027257300000000, -0.0054885500000000, 0.0054816900000000 ] - [ -0.0000012200000000, -0.0002901300000000, -0.0013952100000000 ] - [ 0.0003228500000000, -0.0000383000000000, -0.0002429000000000 ] - [ -0.0001822900000000, 0.0001575600000000, 0.0000788800000000 ] - [ 0.0062597000000000, -0.0002713700000000, 0.0000875600000000 ] - [ 0.0002740900000000, 0.0005192800000000, 0.0000724300000000 ] - [ -0.0000818200000000, 0.0003310600000000, 0.0022192000000000 ] - [ -0.0007260800000000, -0.0000296000000000, 0.0003439600000000 ] - [ -0.0002265200000000, -0.0004675900000000, -0.0000853900000000 ] - [ 0.0000452300000000, 0.0003345600000000, 0.0000812000000000 ] - [ 0.0000341700000000, 0.0001912400000000, -0.0011620500000000 ] - [ -0.0033341600000000, -0.0003598600000000, 0.0023585700000000 ] - [ 0.0034809000000000, 0.0055216900000000, 0.0043183500000000 ] - [ -0.0002353800000000, 0.0002964400000000, 0.0001438200000000 ] - [ 0.0001848700000000, -0.0003378100000000, 0.0000402700000000 ] - [ 0.0000887100000000, -0.0003865500000000, -0.0002566600000000 ] - [ -0.0000610200000000, 0.0006484000000000, -0.0001381100000000 ] - [ 0.0002416600000000, -0.0003082600000000, -0.0001331800000000 ] - [ 0.0042436300000000, -0.0021680100000000, -0.0012186900000000 ] - [ 0.0012687500000000, -0.0007105700000000, 0.0000476600000000 ] - [ 0.0058470000000000, 0.0011896900000000, 0.0032194700000000 ] - [ 0.0001440400000000, 0.0000668500000000, 0.0002197500000000 ] - [ 0.0000046800000000, 0.0004864600000000, 0.0001617200000000 ] - [ 0.0006045900000000, -0.0004001700000000, -0.0000885000000000 ] - [ -0.0001348000000000, -0.0000568200000000, -0.0002602700000000 ] - [ 0.0002812700000000, 0.0000029900000000, 0.0004925700000000 ] - [ -0.0002324600000000, 0.0001914000000000, -0.0002315700000000 ] - [ 0.0049411700000000, -0.0033369600000000, -0.0050185600000000 ] - [ -0.0001701800000000, 0.0004401200000000, 0.0002837300000000 ] - [ 0.0002361500000000, 0.0001927400000000, -0.0000440400000000 ] - [ -0.0001401600000000, 0.0000220400000000, 0.0002816700000000 ] - [ 0.0003920200000000, 0.0003302400000000, 0.0000033700000000 ] - [ 0.0012340600000000, 0.0003861700000000, 0.0005623100000000 ] - [ -0.0001794900000000, 0.0000143200000000, 0.0003743900000000 ] - [ -0.0000240400000000, 0.0000911000000000, -0.0003013800000000 ] - [ -0.0001028600000000, -0.0000559200000000, 0.0000118600000000 ] - [ -0.0000686000000000, -0.0001695100000000, -0.0000843400000000 ] - [ -0.0002392700000000, -0.0003486900000000, -0.0000926100000000 ] - [ -0.0008750000000000, -0.0003443800000000, 0.0001745800000000 ] - [ -0.0019467600000000, 0.0002443400000000, -0.0004785300000000 ] - [ 0.0000339900000000, 0.0004407900000000, 0.0000432300000000 ] - [ 0.0021087200000000, 0.0003591500000000, -0.0004342600000000 ] - [ -0.0003545700000000, -0.0001374000000000, 0.0002178900000000 ] - [ -0.0003941300000000, 0.0002091900000000, -0.0001666100000000 ] - [ 0.0026887700000000, -0.0000606800000000, 0.0004151100000000 ] - [ 0.0003866200000000, -0.0001057400000000, 0.0000478600000000 ] - [ 0.0001901300000000, -0.0000548800000000, -0.0001254300000000 ] - [ -0.0002411500000000, 0.0000402400000000, -0.0001096800000000 ] - [ -0.0002138000000000, -0.0000143000000000, 0.0001634200000000 ] - [ 0.0002531500000000, -0.0004009900000000, -0.0000253400000000 ] - [ -0.0010330600000000, 0.0000368200000000, -0.0002046800000000 ] - [ 0.0002889300000000, 0.0005146700000000, 0.0002023800000000 ] - [ -0.0002315900000000, 0.0002440600000000, 0.0004319800000000 ] - [ 0.0001349300000000, 0.0000420800000000, -0.0004079200000000 ] - [ 0.0023386500000000, -0.0009060600000000, 0.0004910300000000 ] - [ -0.0008353800000000, 0.0013914300000000, -0.0000479700000000 ] - [ 0.0012525900000000, 0.0007079000000000, -0.0003000100000000 ] - [ 0.0000937100000000, -0.0005890900000000, -0.0001829500000000 ] - [ -0.0004809600000000, 0.0000340900000000, 0.0002616700000000 ] - [ 0.0022026500000000, -0.0014223200000000, -0.0020558500000000 ] - [ -0.0010010900000000, -0.0007199900000000, -0.0035274800000000 ] - [ 0.0003954700000000, 0.0001944900000000, 0.0001438300000000 ] - [ 0.0001124800000000, -0.0000625900000000, 0.0003039600000000 ] - [ -0.0001380300000000, -0.0007235100000000, 0.0002368100000000 ] - [ -0.0000288200000000, -0.0007369300000000, -0.0003081900000000 ] - [ -0.0042437000000000, 0.0007913400000000, 0.0001594100000000 ] - [ -0.0002877000000000, 0.0000276100000000, -0.0000464600000000 ] - [ 0.0015107600000000, 0.0004754300000000, -0.0008558800000000 ] - [ 0.0028249100000000, -0.0011327700000000, -0.0001598400000000 ] - [ -0.0001850300000000, 0.0002940100000000, 0.0005164500000000 ] - [ -0.0001105600000000, -0.0004288500000000, 0.0003056500000000 ] - [ 0.0003055200000000, -0.0000760000000000, 0.0000953500000000 ] - [ -0.0000479200000000, 0.0002471600000000, -0.0003329800000000 ] - [ -0.0000052700000000, 0.0001989700000000, 0.0003331400000000 ] - [ 0.0033707500000000, 0.0027880700000000, 0.0005329500000000 ] - [ 0.0001232000000000, 0.0000427400000000, -0.0000722100000000 ] - [ -0.0012879700000000, -0.0009721600000000, 0.0001913400000000 ] - [ 0.0001193100000000, -0.0000615600000000, 0.0001497400000000 ] - [ -0.0002070300000000, -0.0003918600000000, -0.0000906200000000 ] - [ -0.0015805600000000, 0.0004896200000000, 0.0000835300000000 ] - [ 0.0009449600000000, -0.0000918800000000, 0.0007160000000000 ] - [ -0.0001153000000000, -0.0001547700000000, 0.0001511500000000 ] - [ -0.0000658800000000, -0.0000474500000000, -0.0001780700000000 ] - [ 0.0002455100000000, 0.0003680200000000, 0.0000910700000000 ] - [ -0.0002169600000000, -0.0004593700000000, -0.0000181700000000 ] - [ 0.0001795300000000, 0.0007424200000000, 0.0026289600000000 ] - [ -0.0000939700000000, -0.0001231600000000, -0.0003171000000000 ] - [ -0.0000572400000000, 0.0000209900000000, -0.0000974600000000 ] - [ -0.0017910500000000, -0.0018282800000000, -0.0004510200000000 ] - [ 0.0004218300000000, 0.0002508400000000, -0.0000716500000000 ] - [ -0.0002574700000000, 0.0000038600000000, -0.0001285300000000 ] - [ -0.0001273300000000, -0.0000601900000000, 0.0000794700000000 ] - [ -0.0000533800000000, -0.0003561200000000, -0.0001713500000000 ] - [ -0.0005147700000000, 0.0005093700000000, 0.0001153400000000 ] - [ -0.0003572800000000, 0.0000955300000000, -0.0000837100000000 ] - [ -0.0009409600000000, 0.0009470800000000, -0.0003236000000000 ] - [ 0.0004520300000000, -0.0000863800000000, 0.0000600600000000 ] - [ 0.0001741100000000, -0.0001968300000000, 0.0007398600000000 ] - [ 0.0001409500000000, 0.0005411200000000, -0.0001904200000000 ] - [ -0.0009849300000000, -0.0001299300000000, 0.0004776800000000 ] - [ -0.0001561200000000, -0.0007000500000000, 0.0002110200000000 ] - [ -0.0030550200000000, 0.0000684400000000, 0.0008230000000000 ] - [ -0.0001217900000000, 0.0001463700000000, -0.0004442700000000 ] - [ 0.0000852200000000, 0.0001318100000000, -0.0003096000000000 ] - [ 0.0005730900000000, 0.0006385100000000, 0.0001148800000000 ] - [ 0.0001606800000000, 0.0000479500000000, -0.0002421200000000 ] - [ -0.0007897300000000, 0.0023720900000000, 0.0005078800000000 ] - [ -0.0004482900000000, -0.0003140200000000, 0.0000758100000000 ] - [ -0.0000535900000000, -0.0002065600000000, 0.0000060900000000 ] - [ 0.0001109700000000, -0.0000914700000000, 0.0001115300000000 ] - [ 0.0001255700000000, -0.0001498500000000, -0.0002485200000000 ] - [ -0.0003641300000000, -0.0002715200000000, 0.0000148600000000 ] - [ 0.0002270400000000, -0.0002376000000000, -0.0003837100000000 ] - [ 0.0001221600000000, 0.0004853200000000, -0.0000050500000000 ] - [ 0.0001524000000000, -0.0001542400000000, 0.0005686300000000 ] - [ -0.0026405900000000, 0.0003782800000000, 0.0002486100000000 ] - [ 0.0000308000000000, -0.0001169200000000, 0.0002775500000000 ] - [ 0.0001065800000000, -0.0002178100000000, 0.0013177100000000 ] - [ 0.0000477100000000, -0.0002421400000000, -0.0011008300000000 ] - [ 0.0008018200000000, -0.0000611900000000, 0.0003260500000000 ] - [ 0.0000069900000000, -0.0000067900000000, -0.0004136400000000 ] - [ -0.0000979300000000, 0.0005700600000000, 0.0001761300000000 ] - [ -0.0014484500000000, -0.0003274800000000, 0.0002340000000000 ] - [ 0.0004495800000000, -0.0001219100000000, -0.0002294400000000 ] - [ -0.0000240500000000, 0.0000307900000000, 0.0001118600000000 ] - [ -0.0001160100000000, 0.0000643600000000, 0.0002463100000000 ] - [ -0.0000675600000000, -0.0000023000000000, 0.0004791100000000 ] - [ 0.0001753200000000, 0.0000714500000000, -0.0001529800000000 ] - [ 0.0002392900000000, -0.0002905600000000, 0.0000683300000000 ] - [ 0.0008928100000000, -0.0002413400000000, -0.0005199800000000 ] - [ 0.0019027200000000, 0.0006660800000000, -0.0001239000000000 ] - [ 0.0004469000000000, -0.0001327300000000, -0.0001299400000000 ] - [ -0.0001444700000000, -0.0003684100000000, 0.0001373700000000 ] - [ -0.0002615800000000, -0.0000415500000000, -0.0002643500000000 ] - [ -0.0004315700000000, -0.0001828300000000, -0.0001292100000000 ] - [ 0.0002351700000000, 0.0000460500000000, -0.0002318800000000 ]- atom: 8 displacement: [ -0.0099999639143206, 0.0000000000000000, 0.0000268647033593 ] forces: - [ 0.0001501300000000, 0.0003913300000000, 0.0000302100000000 ] - [ -0.0000592500000000, 0.0002104000000000, -0.0000088100000000 ] - [ 0.0002923700000000, 0.0000166800000000, 0.0001556100000000 ] - [ -0.0000276000000000, -0.0003374900000000, 0.0001317200000000 ] - [ 0.0000484500000000, -0.0002880600000000, -0.0001731800000000 ] - [ -0.0001265600000000, -0.0003617800000000, -0.0003253500000000 ] - [ -0.0001349900000000, 0.0000552600000000, -0.0000922400000000 ] - [ 0.0297282400000000, 0.0017638000000000, -0.0004340200000000 ] - [ 0.0016322600000000, -0.0006964800000000, -0.0006076800000000 ] - [ -0.0002247500000000, 0.0004116900000000, -0.0000511500000000 ] - [ -0.0001786000000000, -0.0003099900000000, 0.0000788200000000 ] - [ 0.0000671300000000, -0.0001169900000000, -0.0000481000000000 ] - [ 0.0004348400000000, -0.0001708200000000, 0.0001303600000000 ] - [ 0.0000163300000000, -0.0000366800000000, 0.0000470800000000 ] - [ -0.0000481800000000, -0.0000652300000000, 0.0000578600000000 ] - [ -0.0003301000000000, -0.0000558500000000, 0.0000528000000000 ] - [ -0.0001546600000000, -0.0014270200000000, 0.0000005000000000 ] - [ -0.0014640600000000, 0.0004826000000000, -0.0011915200000000 ] - [ -0.0004506700000000, 0.0001600000000000, -0.0001114800000000 ] - [ -0.0007540600000000, 0.0003070700000000, 0.0000646100000000 ] - [ 0.0003458300000000, -0.0000064500000000, -0.0000750800000000 ] - [ -0.0000696900000000, 0.0004353000000000, 0.0000127800000000 ] - [ -0.0008729800000000, 0.0000600200000000, -0.0000783900000000 ] - [ 0.0000971600000000, 0.0001316100000000, 0.0001408300000000 ] - [ 0.0007854700000000, -0.0004318500000000, 0.0005777900000000 ] - [ -0.0004206300000000, -0.0003038700000000, 0.0002064600000000 ] - [ 0.0038056800000000, -0.0003405800000000, 0.0009208300000000 ] - [ -0.0023315200000000, -0.0001373700000000, -0.0005697600000000 ] - [ 0.0000066600000000, 0.0001287400000000, -0.0000920900000000 ] - [ -0.0056901700000000, -0.0032805000000000, 0.0048212600000000 ] - [ -0.0001361900000000, 0.0002287900000000, 0.0004579500000000 ] - [ 0.0001296500000000, 0.0000519000000000, -0.0000094900000000 ] - [ -0.0001734600000000, 0.0005444500000000, 0.0003293100000000 ] - [ -0.0002822800000000, 0.0001467900000000, -0.0005130900000000 ] - [ -0.0003312800000000, -0.0001696300000000, -0.0000151000000000 ] - [ 0.0002744400000000, -0.0002113900000000, -0.0004995000000000 ] - [ -0.0016996600000000, -0.0019019700000000, 0.0044400100000000 ] - [ 0.0000781800000000, -0.0005454500000000, -0.0003195700000000 ] - [ 0.0032590600000000, 0.0018345800000000, 0.0011744900000000 ] - [ 0.0002688100000000, -0.0001027300000000, -0.0000364800000000 ] - [ -0.0028460500000000, 0.0059058200000000, -0.0056089900000000 ] - [ 0.0005283000000000, 0.0006079800000000, 0.0023115100000000 ] - [ -0.0002044500000000, -0.0003388600000000, 0.0003343200000000 ] - [ -0.0002160500000000, 0.0000279200000000, 0.0000077100000000 ] - [ -0.0066706200000000, 0.0000770600000000, -0.0000152900000000 ] - [ 0.0000967100000000, 0.0005036500000000, -0.0007358900000000 ] - [ 0.0001463700000000, 0.0001415500000000, -0.0019229900000000 ] - [ 0.0005380000000000, -0.0002810700000000, 0.0005110600000000 ] - [ -0.0000890200000000, -0.0000083200000000, 0.0000316900000000 ] - [ 0.0000255600000000, 0.0000617500000000, 0.0000876100000000 ] - [ 0.0004124500000000, -0.0001227100000000, 0.0004647100000000 ] - [ 0.0036010600000000, 0.0002676400000000, -0.0018470000000000 ] - [ -0.0030773800000000, -0.0048951000000000, -0.0046179600000000 ] - [ -0.0001839100000000, 0.0003659800000000, 0.0000949500000000 ] - [ 0.0001285600000000, -0.0001395600000000, 0.0000130900000000 ] - [ 0.0002115700000000, -0.0003932200000000, -0.0001978400000000 ] - [ 0.0000970600000000, -0.0000359600000000, -0.0000790800000000 ] - [ 0.0001788400000000, -0.0003526000000000, -0.0001063400000000 ] - [ -0.0043177100000000, 0.0025535000000000, 0.0010221300000000 ] - [ -0.0013006300000000, 0.0001045400000000, 0.0001679500000000 ] - [ -0.0061115600000000, -0.0009914300000000, -0.0037489700000000 ] - [ 0.0001494700000000, 0.0000665100000000, 0.0003231600000000 ] - [ -0.0000387200000000, 0.0001265900000000, 0.0000548400000000 ] - [ -0.0010236000000000, -0.0002610200000000, 0.0003294400000000 ] - [ -0.0001577900000000, -0.0000754400000000, -0.0002845100000000 ] - [ -0.0000268300000000, -0.0002644200000000, -0.0006353700000000 ] - [ -0.0000204600000000, 0.0000690600000000, 0.0003758200000000 ] - [ -0.0046732200000000, 0.0042072800000000, 0.0046431100000000 ] - [ -0.0001308100000000, 0.0003405500000000, 0.0001718600000000 ] - [ 0.0000178600000000, 0.0000688300000000, -0.0000984600000000 ] - [ -0.0003106900000000, -0.0000910000000000, 0.0004097700000000 ] - [ -0.0000764000000000, 0.0001454300000000, 0.0000504200000000 ] - [ -0.0015393300000000, -0.0011728200000000, -0.0001052100000000 ] - [ -0.0002718100000000, 0.0000548500000000, 0.0003185300000000 ] - [ 0.0004746800000000, -0.0001612400000000, -0.0003941100000000 ] - [ -0.0001497400000000, -0.0002022400000000, 0.0001294400000000 ] - [ -0.0000030900000000, -0.0002251900000000, -0.0000844400000000 ] - [ 0.0002720100000000, -0.0002606400000000, -0.0001231800000000 ] - [ 0.0009430900000000, -0.0000539300000000, -0.0000102400000000 ] - [ 0.0016199700000000, 0.0002117800000000, 0.0004300400000000 ] - [ 0.0004415500000000, 0.0003624200000000, 0.0000219500000000 ] - [ -0.0022320800000000, -0.0004070400000000, 0.0012596900000000 ] - [ -0.0001988800000000, -0.0000345300000000, 0.0002557600000000 ] - [ 0.0001210300000000, 0.0005688000000000, -0.0000762800000000 ] - [ -0.0026195500000000, -0.0000648800000000, 0.0002586200000000 ] - [ 0.0000987000000000, 0.0001771900000000, 0.0001673400000000 ] - [ 0.0002993900000000, -0.0000526000000000, -0.0001271700000000 ] - [ -0.0003208500000000, 0.0000466100000000, -0.0000975000000000 ] - [ -0.0001764700000000, -0.0000555800000000, 0.0002500200000000 ] - [ 0.0002237900000000, -0.0004018600000000, 0.0000919100000000 ] - [ 0.0012627400000000, 0.0001076800000000, 0.0004855500000000 ] - [ -0.0005674400000000, 0.0005689600000000, 0.0001440100000000 ] - [ -0.0002492600000000, 0.0002667200000000, 0.0004037000000000 ] - [ 0.0004359000000000, -0.0000682200000000, 0.0009804300000000 ] - [ -0.0027734800000000, -0.0002798100000000, -0.0003087100000000 ] - [ 0.0010590600000000, -0.0025121000000000, -0.0003164700000000 ] - [ -0.0009871800000000, 0.0000742700000000, 0.0005446200000000 ] - [ 0.0000576600000000, -0.0005893700000000, -0.0001561800000000 ] - [ 0.0000901000000000, 0.0000345800000000, 0.0001554200000000 ] - [ -0.0026255600000000, 0.0022950600000000, 0.0019951800000000 ] - [ 0.0011305900000000, 0.0007288500000000, 0.0026813000000000 ] - [ -0.0009664200000000, -0.0001657000000000, -0.0007193200000000 ] - [ 0.0004582300000000, 0.0000890100000000, 0.0002681000000000 ] - [ -0.0000801100000000, -0.0004042900000000, 0.0001311300000000 ] - [ 0.0003032900000000, -0.0003480900000000, -0.0000408400000000 ] - [ 0.0039925500000000, -0.0007184800000000, 0.0000310300000000 ] - [ -0.0001957800000000, 0.0000436800000000, -0.0001636500000000 ] - [ -0.0010166600000000, 0.0000339500000000, 0.0000296500000000 ] - [ -0.0026015000000000, 0.0010219300000000, -0.0000069200000000 ] - [ -0.0001477600000000, 0.0002487300000000, 0.0000687000000000 ] - [ -0.0002240100000000, -0.0001170700000000, 0.0002815300000000 ] - [ 0.0002618000000000, -0.0000146700000000, 0.0001117000000000 ] - [ 0.0003795400000000, 0.0002923200000000, -0.0002516300000000 ] - [ 0.0000730900000000, -0.0000759700000000, 0.0003309400000000 ] - [ -0.0035925800000000, -0.0030708900000000, 0.0003299400000000 ] - [ 0.0001133000000000, 0.0000459800000000, -0.0001214700000000 ] - [ 0.0018597600000000, 0.0010720700000000, 0.0000095800000000 ] - [ 0.0002061400000000, 0.0001979400000000, 0.0001825900000000 ] - [ -0.0000641000000000, -0.0003839400000000, -0.0001530000000000 ] - [ 0.0019056500000000, -0.0006341800000000, 0.0002530600000000 ] - [ -0.0014113500000000, 0.0008946500000000, -0.0007791200000000 ] - [ -0.0001597800000000, -0.0000859900000000, 0.0001806900000000 ] - [ -0.0002604800000000, -0.0000948000000000, -0.0001544500000000 ] - [ -0.0000257000000000, -0.0000387800000000, 0.0000250000000000 ] - [ -0.0001697600000000, -0.0004070700000000, -0.0000414100000000 ] - [ -0.0004462200000000, -0.0008675400000000, -0.0029135400000000 ] - [ 0.0000243200000000, 0.0000021500000000, -0.0003463200000000 ] - [ -0.0001737000000000, 0.0001163700000000, -0.0001851600000000 ] - [ 0.0027330300000000, 0.0019733000000000, 0.0005834800000000 ] - [ 0.0005440200000000, 0.0003352800000000, -0.0000602000000000 ] - [ -0.0002265000000000, -0.0000764700000000, -0.0000871200000000 ] - [ -0.0001094700000000, -0.0000295200000000, 0.0001139800000000 ] - [ -0.0001611800000000, 0.0000245300000000, 0.0000539000000000 ] - [ 0.0006655000000000, 0.0006685700000000, -0.0004575300000000 ] - [ -0.0005838000000000, 0.0000460300000000, -0.0000394600000000 ] - [ 0.0012187500000000, 0.0001341700000000, -0.0000248600000000 ] - [ 0.0004912700000000, -0.0000576400000000, 0.0000633900000000 ] - [ 0.0002183800000000, 0.0001302100000000, -0.0011531600000000 ] - [ 0.0000780700000000, 0.0005860600000000, -0.0001768400000000 ] - [ 0.0000434600000000, -0.0000108700000000, -0.0006017200000000 ] - [ -0.0001223600000000, -0.0003863200000000, 0.0001371400000000 ] - [ 0.0025036400000000, -0.0001711800000000, -0.0010498400000000 ] - [ 0.0000544700000000, -0.0000216400000000, -0.0002198800000000 ] - [ -0.0006411600000000, 0.0000413400000000, 0.0007833600000000 ] - [ -0.0007897700000000, 0.0004881600000000, 0.0002542700000000 ] - [ 0.0003269400000000, 0.0000581500000000, -0.0000087600000000 ] - [ 0.0005174200000000, -0.0025072600000000, -0.0000775100000000 ] - [ -0.0005167600000000, -0.0002738400000000, 0.0000562400000000 ] - [ -0.0004204500000000, -0.0005951100000000, -0.0000709400000000 ] - [ 0.0001178400000000, -0.0000469800000000, 0.0001687300000000 ] - [ 0.0001063600000000, 0.0000166200000000, -0.0001757500000000 ] - [ 0.0005988900000000, 0.0004097900000000, -0.0004440000000000 ] - [ 0.0002552500000000, -0.0002729900000000, -0.0004517900000000 ] - [ 0.0002644000000000, 0.0003797800000000, 0.0000644200000000 ] - [ -0.0006366700000000, 0.0000497500000000, -0.0003167200000000 ] - [ 0.0023685100000000, -0.0001320300000000, 0.0000925000000000 ] - [ 0.0002379800000000, -0.0006603000000000, -0.0000346000000000 ] - [ 0.0003825200000000, 0.0001471700000000, -0.0010928300000000 ] - [ 0.0002828000000000, -0.0002990900000000, 0.0005194800000000 ] - [ -0.0005261400000000, -0.0001754000000000, -0.0006537300000000 ] - [ 0.0001245500000000, -0.0000124100000000, -0.0004182500000000 ] - [ -0.0000531400000000, 0.0006068800000000, 0.0001625700000000 ] - [ 0.0012317400000000, 0.0006538500000000, -0.0003514400000000 ] - [ -0.0000573800000000, 0.0001885100000000, -0.0001863700000000 ] - [ -0.0004628700000000, 0.0000739100000000, 0.0001400500000000 ] - [ -0.0001178300000000, 0.0000715300000000, 0.0001800300000000 ] - [ -0.0000640700000000, 0.0000211600000000, 0.0003520300000000 ] - [ 0.0001002200000000, 0.0001671300000000, -0.0001787700000000 ] - [ -0.0000236500000000, -0.0000435300000000, 0.0000507800000000 ] - [ 0.0000743000000000, -0.0003435300000000, 0.0003894600000000 ] - [ -0.0027442800000000, -0.0001225600000000, 0.0001266000000000 ] - [ 0.0001047500000000, -0.0000382800000000, -0.0003447300000000 ] - [ -0.0001854800000000, 0.0005077100000000, -0.0004681100000000 ] - [ -0.0003109500000000, 0.0000127500000000, -0.0003099800000000 ] - [ 0.0008184000000000, -0.0006825800000000, 0.0001868200000000 ] - [ 0.0003179700000000, 0.0001264200000000, -0.0002408700000000 ]- atom: 8 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001374800000000, 0.0006821100000000, 0.0000583500000000 ] - [ -0.0000426600000000, 0.0004316200000000, -0.0000106500000000 ] - [ 0.0003503000000000, -0.0003791900000000, -0.0000976800000000 ] - [ 0.0000530200000000, -0.0003848200000000, 0.0001088500000000 ] - [ -0.0000133400000000, 0.0004867900000000, -0.0004118200000000 ] - [ 0.0001082000000000, 0.0000510600000000, 0.0002157100000000 ] - [ -0.0000917700000000, 0.0003658100000000, -0.0001440400000000 ] - [ -0.0013976100000000, -0.0261176500000000, 0.0030047200000000 ] - [ 0.0003911500000000, 0.0031389900000000, 0.0029313000000000 ] - [ -0.0007362700000000, 0.0006015400000000, 0.0000347400000000 ] - [ 0.0004994100000000, 0.0009383600000000, 0.0002361600000000 ] - [ -0.0000505100000000, 0.0000443300000000, -0.0001662600000000 ] - [ 0.0004300400000000, 0.0000818500000000, 0.0001100900000000 ] - [ 0.0001425700000000, 0.0001882600000000, -0.0002683900000000 ] - [ -0.0000406900000000, 0.0001232400000000, 0.0000435300000000 ] - [ -0.0002516600000000, 0.0003323500000000, 0.0000946200000000 ] - [ 0.0012573500000000, 0.0011984400000000, 0.0001260000000000 ] - [ -0.0010877900000000, -0.0010010000000000, -0.0004288600000000 ] - [ -0.0004412100000000, 0.0004449200000000, -0.0001031500000000 ] - [ -0.0000201600000000, 0.0001850900000000, 0.0003419200000000 ] - [ 0.0003280300000000, 0.0004866400000000, -0.0001040000000000 ] - [ -0.0001215200000000, 0.0004555600000000, 0.0000083600000000 ] - [ -0.0002486100000000, -0.0004952300000000, 0.0001006200000000 ] - [ 0.0000934700000000, -0.0000598600000000, -0.0000341300000000 ] - [ 0.0005797200000000, 0.0018592100000000, -0.0000037300000000 ] - [ 0.0000202000000000, 0.0006389000000000, -0.0000116800000000 ] - [ -0.0002452600000000, -0.0054293800000000, 0.0012410500000000 ] - [ -0.0004494600000000, -0.0000591100000000, -0.0002419600000000 ] - [ 0.0000386800000000, 0.0011060200000000, -0.0002837700000000 ] - [ 0.0036271200000000, -0.0020323100000000, -0.0038442300000000 ] - [ -0.0003463000000000, 0.0014016000000000, 0.0005738300000000 ] - [ 0.0004432300000000, 0.0013833000000000, 0.0003310900000000 ] - [ -0.0003403700000000, 0.0015853500000000, 0.0004258000000000 ] - [ -0.0003627500000000, 0.0009494600000000, -0.0006998900000000 ] - [ -0.0001211100000000, 0.0003091800000000, 0.0001326000000000 ] - [ 0.0001301000000000, 0.0005793800000000, -0.0000120100000000 ] - [ 0.0030804300000000, -0.0040318600000000, -0.0020024400000000 ] - [ 0.0001650900000000, 0.0005525500000000, -0.0003312600000000 ] - [ -0.0024280600000000, 0.0049445500000000, 0.0071852900000000 ] - [ 0.0002484500000000, 0.0010685100000000, -0.0000374300000000 ] - [ -0.0057964700000000, 0.0003230500000000, -0.0043480700000000 ] - [ -0.0000329900000000, -0.0004406000000000, 0.0019023700000000 ] - [ 0.0002301900000000, -0.0004559700000000, -0.0001206200000000 ] - [ -0.0001692700000000, 0.0008701600000000, 0.0000210900000000 ] - [ 0.0005646000000000, -0.0029236100000000, -0.0008017100000000 ] - [ 0.0001149400000000, -0.0006191000000000, -0.0003407700000000 ] - [ 0.0001186300000000, -0.0004409700000000, 0.0015715000000000 ] - [ 0.0000631000000000, -0.0003426900000000, -0.0024876000000000 ] - [ -0.0005309300000000, 0.0001964100000000, 0.0000178800000000 ] - [ 0.0000556400000000, 0.0010257000000000, 0.0000713700000000 ] - [ -0.0002251000000000, -0.0003322900000000, -0.0005167800000000 ] - [ -0.0013694800000000, 0.0065841100000000, -0.0075654200000000 ] - [ 0.0051114300000000, -0.0019464200000000, 0.0003825200000000 ] - [ -0.0003797700000000, 0.0011456000000000, -0.0001332300000000 ] - [ -0.0002397400000000, -0.0003100600000000, -0.0000780900000000 ] - [ -0.0001312900000000, -0.0001373100000000, -0.0003430900000000 ] - [ 0.0004403600000000, 0.0006124700000000, -0.0002782000000000 ] - [ 0.0001968500000000, 0.0001663900000000, -0.0002637300000000 ] - [ -0.0019700100000000, -0.0004180900000000, 0.0004947700000000 ] - [ -0.0000887400000000, -0.0007277900000000, 0.0000144000000000 ] - [ 0.0043576800000000, -0.0011705300000000, 0.0020988500000000 ] - [ 0.0003497900000000, 0.0002613700000000, 0.0002429100000000 ] - [ 0.0000934300000000, 0.0006048800000000, 0.0001355800000000 ] - [ -0.0002448200000000, -0.0012654400000000, -0.0001086700000000 ] - [ 0.0000320500000000, 0.0001075800000000, -0.0004369200000000 ] - [ 0.0004242900000000, -0.0010567500000000, -0.0005544700000000 ] - [ 0.0002833300000000, -0.0001926500000000, 0.0008319800000000 ] - [ -0.0054059400000000, -0.0015356000000000, 0.0042040500000000 ] - [ -0.0003687700000000, 0.0007826100000000, 0.0004887000000000 ] - [ 0.0003249400000000, 0.0006319100000000, -0.0000634600000000 ] - [ -0.0005984600000000, -0.0003018700000000, 0.0003993600000000 ] - [ 0.0000989600000000, 0.0008705600000000, -0.0000245300000000 ] - [ 0.0000544600000000, -0.0002539900000000, 0.0002118300000000 ] - [ -0.0006634000000000, 0.0004128100000000, 0.0003856000000000 ] - [ -0.0002278300000000, 0.0006062100000000, 0.0002548600000000 ] - [ 0.0002087300000000, 0.0006912100000000, -0.0002638400000000 ] - [ -0.0000608500000000, 0.0004608400000000, -0.0000821300000000 ] - [ -0.0000767300000000, 0.0008982500000000, -0.0000104500000000 ] - [ -0.0001606000000000, -0.0018143900000000, 0.0001312000000000 ] - [ 0.0002501300000000, 0.0034064400000000, -0.0022951600000000 ] - [ 0.0003161200000000, 0.0000027500000000, -0.0000389900000000 ] - [ 0.0004593100000000, -0.0024029300000000, 0.0003040900000000 ] - [ -0.0004125200000000, -0.0005773900000000, 0.0002249500000000 ] - [ -0.0003012700000000, -0.0000974900000000, -0.0002341800000000 ] - [ 0.0000910800000000, 0.0026613400000000, 0.0008443900000000 ] - [ 0.0002308700000000, -0.0005122300000000, -0.0002962000000000 ] - [ 0.0006266200000000, -0.0005512000000000, -0.0002284000000000 ] - [ -0.0001220700000000, -0.0003528000000000, -0.0000227500000000 ] - [ -0.0000312900000000, -0.0004471800000000, 0.0002571400000000 ] - [ 0.0005858800000000, -0.0007076600000000, 0.0003212800000000 ] - [ 0.0002315400000000, 0.0004592700000000, 0.0000687200000000 ] - [ -0.0003816800000000, -0.0007279900000000, -0.0002906400000000 ] - [ -0.0002838100000000, 0.0000882100000000, 0.0003964700000000 ] - [ 0.0002064000000000, 0.0005305100000000, 0.0003235400000000 ] - [ -0.0007921900000000, 0.0034475000000000, 0.0001393900000000 ] - [ 0.0012683100000000, 0.0000014900000000, -0.0007558500000000 ] - [ 0.0004329800000000, -0.0009219500000000, 0.0006646500000000 ] - [ 0.0000917900000000, -0.0014905200000000, -0.0001126400000000 ] - [ -0.0000952600000000, 0.0001067900000000, -0.0000111000000000 ] - [ -0.0023146000000000, 0.0018607300000000, -0.0022252200000000 ] - [ -0.0009920700000000, 0.0002605500000000, -0.0026671000000000 ] - [ -0.0002939300000000, 0.0006639800000000, -0.0017976700000000 ] - [ 0.0001678900000000, -0.0004490500000000, 0.0002463000000000 ] - [ -0.0003369000000000, -0.0012780200000000, 0.0002663500000000 ] - [ 0.0001031500000000, -0.0006628400000000, -0.0003001300000000 ] - [ -0.0025599800000000, 0.0021666100000000, 0.0002295300000000 ] - [ -0.0002402900000000, 0.0001656600000000, 0.0003580700000000 ] - [ 0.0015027800000000, -0.0006828400000000, 0.0023340900000000 ] - [ -0.0015094800000000, 0.0019753700000000, 0.0021882900000000 ] - [ -0.0002721700000000, 0.0002637300000000, 0.0000845100000000 ] - [ -0.0003977300000000, -0.0011201200000000, 0.0004974500000000 ] - [ 0.0004229100000000, -0.0004647700000000, 0.0000836600000000 ] - [ 0.0000575200000000, -0.0001083300000000, -0.0003378900000000 ] - [ 0.0001551500000000, -0.0004126300000000, 0.0003663400000000 ] - [ 0.0018576200000000, 0.0046852400000000, 0.0006336900000000 ] - [ -0.0000743600000000, -0.0003519000000000, -0.0000885500000000 ] - [ -0.0006157100000000, 0.0007440100000000, 0.0003331700000000 ] - [ 0.0001039800000000, -0.0002870800000000, 0.0000905500000000 ] - [ -0.0000433600000000, -0.0005772900000000, -0.0000954600000000 ] - [ 0.0002285300000000, 0.0008159500000000, 0.0002732800000000 ] - [ -0.0010509700000000, -0.0006369700000000, 0.0006991300000000 ] - [ -0.0000750500000000, -0.0006268900000000, 0.0001681300000000 ] - [ -0.0002485800000000, -0.0011638600000000, -0.0002616900000000 ] - [ 0.0004128500000000, -0.0009956100000000, -0.0002585300000000 ] - [ -0.0003154000000000, -0.0008214500000000, -0.0000443600000000 ] - [ 0.0008528200000000, 0.0017867900000000, -0.0027541200000000 ] - [ -0.0000462400000000, -0.0007399800000000, -0.0002164000000000 ] - [ -0.0000343500000000, -0.0004523000000000, 0.0001886500000000 ] - [ -0.0006095500000000, 0.0007772900000000, 0.0003247500000000 ] - [ 0.0003928200000000, -0.0003250700000000, -0.0000970800000000 ] - [ -0.0000636200000000, -0.0005165000000000, -0.0000805500000000 ] - [ -0.0003038100000000, -0.0003575700000000, 0.0001672800000000 ] - [ -0.0001984400000000, -0.0003354900000000, -0.0002162000000000 ] - [ -0.0000730400000000, 0.0014074500000000, 0.0000717200000000 ] - [ -0.0000971800000000, -0.0006948800000000, 0.0001287400000000 ] - [ 0.0005984300000000, 0.0002254100000000, 0.0000923700000000 ] - [ 0.0006414700000000, -0.0004698600000000, 0.0001387100000000 ] - [ 0.0003393900000000, 0.0002132600000000, -0.0003658200000000 ] - [ 0.0001221600000000, 0.0000125100000000, -0.0001052500000000 ] - [ -0.0001131500000000, 0.0007660100000000, -0.0001325500000000 ] - [ -0.0003491400000000, -0.0008853300000000, 0.0002362800000000 ] - [ 0.0012700700000000, 0.0026179900000000, -0.0003687100000000 ] - [ 0.0000572400000000, 0.0003555800000000, -0.0001379700000000 ] - [ -0.0004219900000000, 0.0011986600000000, 0.0003558300000000 ] - [ -0.0000914400000000, 0.0016295900000000, -0.0003218900000000 ] - [ 0.0005409300000000, 0.0005233700000000, -0.0002771500000000 ] - [ 0.0031118600000000, -0.0001581500000000, -0.0009786900000000 ] - [ -0.0005273900000000, -0.0007833800000000, 0.0000095700000000 ] - [ 0.0000313400000000, -0.0007280700000000, -0.0004502800000000 ] - [ 0.0001650800000000, -0.0004233100000000, 0.0000984800000000 ] - [ 0.0001239100000000, -0.0004660500000000, -0.0005005200000000 ] - [ 0.0001469300000000, 0.0000067000000000, -0.0000128200000000 ] - [ 0.0002241600000000, -0.0005151800000000, -0.0005144500000000 ] - [ 0.0001637600000000, -0.0000670900000000, 0.0000675400000000 ] - [ 0.0000887500000000, 0.0009004600000000, 0.0000617900000000 ] - [ 0.0008869700000000, 0.0015079200000000, 0.0004931500000000 ] - [ 0.0002777600000000, -0.0005286200000000, -0.0000446300000000 ] - [ 0.0002112800000000, 0.0003542000000000, 0.0008400000000000 ] - [ 0.0003527000000000, 0.0002216200000000, 0.0006300100000000 ] - [ 0.0002534600000000, 0.0012456300000000, 0.0002850700000000 ] - [ 0.0000332200000000, -0.0002219000000000, -0.0002154200000000 ] - [ -0.0000705300000000, 0.0000508100000000, 0.0002114000000000 ] - [ -0.0003806300000000, 0.0000898700000000, 0.0001358300000000 ] - [ 0.0002027800000000, -0.0008904700000000, -0.0004955200000000 ] - [ 0.0002568100000000, -0.0006386100000000, -0.0001882800000000 ] - [ -0.0000510900000000, -0.0001068500000000, 0.0002340900000000 ] - [ -0.0001097300000000, -0.0002061800000000, 0.0004788000000000 ] - [ 0.0001865400000000, -0.0005948800000000, -0.0000972300000000 ] - [ -0.0002533600000000, -0.0006240300000000, 0.0004262900000000 ] - [ 0.0005500000000000, 0.0007040800000000, 0.0001094600000000 ] - [ -0.0006255600000000, 0.0033825600000000, 0.0002865700000000 ] - [ 0.0000141900000000, 0.0005506400000000, -0.0004555800000000 ] - [ -0.0007051000000000, 0.0001016300000000, 0.0002248300000000 ] - [ -0.0004268700000000, -0.0005500300000000, -0.0001289500000000 ] - [ -0.0000145600000000, 0.0001738300000000, -0.0000910500000000 ] - [ 0.0000330000000000, -0.0005918800000000, -0.0001910400000000 ]- atom: 8 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003249300000000, -0.0008994900000000, 0.0001282700000000 ] - [ -0.0000887500000000, 0.0000121700000000, -0.0000439000000000 ] - [ 0.0002660100000000, 0.0003705200000000, -0.0000461800000000 ] - [ 0.0000388500000000, -0.0002832700000000, 0.0001690800000000 ] - [ -0.0000788300000000, -0.0011556800000000, 0.0001350700000000 ] - [ -0.0002990300000000, -0.0002670400000000, -0.0004027000000000 ] - [ -0.0000983300000000, -0.0001481100000000, -0.0000425900000000 ] - [ 0.0020896900000000, 0.0265753200000000, -0.0028149300000000 ] - [ -0.0003272400000000, -0.0032246300000000, -0.0030149600000000 ] - [ 0.0006796200000000, -0.0004935900000000, 0.0000819900000000 ] - [ -0.0004041800000000, -0.0002718000000000, 0.0000411900000000 ] - [ 0.0001809100000000, -0.0004885100000000, 0.0002204100000000 ] - [ 0.0004399300000000, -0.0004213900000000, 0.0001102300000000 ] - [ -0.0000820000000000, -0.0000795400000000, 0.0001509400000000 ] - [ -0.0000194000000000, -0.0002324400000000, 0.0000736600000000 ] - [ -0.0003646600000000, -0.0003422700000000, 0.0000494300000000 ] - [ -0.0014002200000000, -0.0016532200000000, -0.0001811900000000 ] - [ 0.0002173800000000, 0.0006662500000000, 0.0002070700000000 ] - [ -0.0004288100000000, -0.0001057400000000, -0.0001173100000000 ] - [ 0.0001517300000000, 0.0002566600000000, -0.0002888700000000 ] - [ 0.0002885900000000, -0.0004770700000000, -0.0000407900000000 ] - [ 0.0000299300000000, 0.0002123500000000, -0.0002861600000000 ] - [ -0.0003676700000000, 0.0005051200000000, 0.0000454000000000 ] - [ 0.0000967600000000, 0.0002765900000000, 0.0002214200000000 ] - [ -0.0000692300000000, -0.0021813400000000, 0.0009052100000000 ] - [ 0.0000651600000000, -0.0011207900000000, 0.0002928300000000 ] - [ -0.0001422500000000, 0.0044142500000000, -0.0005395600000000 ] - [ -0.0000582400000000, -0.0002604800000000, -0.0006631400000000 ] - [ -0.0001240500000000, -0.0006276400000000, 0.0000039600000000 ] - [ -0.0034413300000000, 0.0023331400000000, 0.0029901100000000 ] - [ 0.0001657000000000, -0.0010836100000000, 0.0002826700000000 ] - [ -0.0003328300000000, -0.0010131900000000, -0.0002571700000000 ] - [ -0.0000515400000000, -0.0005602100000000, 0.0002429700000000 ] - [ -0.0001462300000000, -0.0006237800000000, -0.0002033000000000 ] - [ 0.0000084800000000, -0.0006823700000000, -0.0002088700000000 ] - [ 0.0000518700000000, -0.0008995500000000, -0.0008422900000000 ] - [ -0.0027036400000000, 0.0042363600000000, 0.0018918300000000 ] - [ 0.0002246700000000, -0.0015789700000000, -0.0003364900000000 ] - [ 0.0023662800000000, -0.0054684900000000, -0.0075361900000000 ] - [ 0.0001261200000000, -0.0012545000000000, -0.0000654200000000 ] - [ 0.0056559400000000, 0.0000275600000000, 0.0042539700000000 ] - [ 0.0005403800000000, 0.0007625400000000, -0.0010003100000000 ] - [ -0.0001177900000000, 0.0000875400000000, 0.0001969000000000 ] - [ -0.0002060500000000, -0.0006851500000000, 0.0000808000000000 ] - [ -0.0009312300000000, 0.0027445200000000, 0.0009004400000000 ] - [ 0.0002756300000000, 0.0016467000000000, -0.0003247400000000 ] - [ -0.0000327500000000, 0.0009161500000000, -0.0012921400000000 ] - [ -0.0002485700000000, 0.0000262500000000, 0.0033527800000000 ] - [ 0.0001974400000000, -0.0006768600000000, -0.0000656600000000 ] - [ 0.0000088700000000, -0.0006462900000000, 0.0000915400000000 ] - [ 0.0006608100000000, 0.0004091300000000, -0.0001807000000000 ] - [ 0.0016655500000000, -0.0068449200000000, 0.0082252300000000 ] - [ -0.0047063400000000, 0.0026567400000000, -0.0006096900000000 ] - [ -0.0000351600000000, -0.0004726400000000, 0.0003626500000000 ] - [ 0.0005721000000000, -0.0001668500000000, 0.0001265500000000 ] - [ 0.0004221300000000, -0.0006329800000000, -0.0001168700000000 ] - [ -0.0004128500000000, -0.0000070800000000, 0.0000641000000000 ] - [ 0.0002169400000000, -0.0008403700000000, 0.0000347500000000 ] - [ 0.0018924500000000, 0.0008200700000000, -0.0006624400000000 ] - [ 0.0000600400000000, 0.0001191200000000, 0.0002004500000000 ] - [ -0.0046454400000000, 0.0013180400000000, -0.0026559000000000 ] - [ -0.0000569400000000, -0.0001179000000000, 0.0003005300000000 ] - [ -0.0001210700000000, -0.0000022900000000, 0.0000788900000000 ] - [ -0.0001683500000000, 0.0005933800000000, 0.0003378200000000 ] - [ -0.0003245300000000, -0.0002509800000000, -0.0001066300000000 ] - [ -0.0001670300000000, 0.0007933100000000, 0.0004170100000000 ] - [ -0.0005413000000000, 0.0004562300000000, -0.0006929800000000 ] - [ 0.0056710600000000, 0.0022896000000000, -0.0046414800000000 ] - [ 0.0000775400000000, -0.0000129700000000, -0.0000298800000000 ] - [ -0.0000696500000000, -0.0003720100000000, -0.0000753500000000 ] - [ 0.0001636300000000, 0.0002245900000000, 0.0003012900000000 ] - [ 0.0002315900000000, -0.0003913200000000, 0.0000725400000000 ] - [ -0.0003461300000000, -0.0005140200000000, 0.0002445200000000 ] - [ 0.0002276700000000, -0.0003355300000000, 0.0003130200000000 ] - [ 0.0006636200000000, -0.0006831300000000, -0.0009524700000000 ] - [ -0.0004654800000000, -0.0009539200000000, 0.0004037400000000 ] - [ -0.0000030100000000, -0.0008413300000000, -0.0000806600000000 ] - [ 0.0001052300000000, -0.0015051300000000, -0.0002041800000000 ] - [ 0.0002250000000000, 0.0014339300000000, 0.0000285000000000 ] - [ -0.0005896400000000, -0.0029353900000000, 0.0022052500000000 ] - [ 0.0002060300000000, 0.0007829700000000, 0.0000996400000000 ] - [ -0.0005768500000000, 0.0022554900000000, 0.0005716700000000 ] - [ -0.0001534300000000, 0.0003826400000000, 0.0002376100000000 ] - [ 0.0000083500000000, 0.0008505800000000, -0.0000083000000000 ] - [ -0.0000139500000000, -0.0026692300000000, -0.0002724600000000 ] - [ 0.0002362500000000, 0.0005817000000000, 0.0004859300000000 ] - [ -0.0001681600000000, 0.0004658800000000, -0.0000161000000000 ] - [ -0.0004223500000000, 0.0004352800000000, -0.0001824200000000 ] - [ -0.0003516900000000, 0.0003701800000000, 0.0001228400000000 ] - [ -0.0000643400000000, -0.0000794700000000, -0.0002624500000000 ] - [ 0.0000159100000000, -0.0003261100000000, 0.0002254200000000 ] - [ 0.0001311500000000, 0.0018030400000000, 0.0006435000000000 ] - [ -0.0001982500000000, 0.0004156900000000, 0.0004420500000000 ] - [ 0.0003699100000000, -0.0005585900000000, 0.0002649300000000 ] - [ 0.0006455000000000, -0.0046451900000000, 0.0001910500000000 ] - [ -0.0010463300000000, -0.0011213900000000, 0.0003933900000000 ] - [ -0.0001388500000000, 0.0016819900000000, -0.0004099100000000 ] - [ 0.0000591700000000, 0.0003013200000000, -0.0002227900000000 ] - [ -0.0002875300000000, -0.0000305500000000, 0.0003908000000000 ] - [ 0.0019067400000000, -0.0010295000000000, 0.0021559500000000 ] - [ 0.0011207400000000, -0.0002388800000000, 0.0018183700000000 ] - [ -0.0002833700000000, -0.0006404000000000, 0.0012124100000000 ] - [ 0.0004091600000000, 0.0004789600000000, 0.0003434100000000 ] - [ 0.0001098000000000, 0.0001714800000000, 0.0001007100000000 ] - [ 0.0001473300000000, -0.0004064300000000, -0.0000497500000000 ] - [ 0.0022954200000000, -0.0020554200000000, -0.0000247000000000 ] - [ -0.0002274200000000, -0.0000953500000000, -0.0005518400000000 ] - [ -0.0010219800000000, 0.0011933900000000, -0.0031922500000000 ] - [ 0.0017780000000000, -0.0021785900000000, -0.0023408300000000 ] - [ -0.0000551500000000, 0.0002836900000000, 0.0005047200000000 ] - [ 0.0000699000000000, 0.0005725700000000, 0.0000924900000000 ] - [ 0.0001238500000000, 0.0003819500000000, 0.0001222100000000 ] - [ 0.0002699700000000, 0.0006580200000000, -0.0002513200000000 ] - [ -0.0000750700000000, 0.0004906900000000, 0.0002965200000000 ] - [ -0.0021158300000000, -0.0050381000000000, 0.0002312300000000 ] - [ 0.0003372400000000, 0.0004643400000000, -0.0001148500000000 ] - [ 0.0011655700000000, -0.0006654600000000, -0.0001272200000000 ] - [ 0.0002125200000000, 0.0003888900000000, 0.0002429900000000 ] - [ -0.0002518700000000, -0.0001775600000000, -0.0001485700000000 ] - [ 0.0000874600000000, -0.0009128100000000, 0.0000589900000000 ] - [ 0.0005295400000000, 0.0014270000000000, -0.0007515800000000 ] - [ -0.0002148000000000, 0.0004050800000000, 0.0001658800000000 ] - [ -0.0000682900000000, 0.0010641700000000, -0.0000716100000000 ] - [ -0.0002130200000000, 0.0013276100000000, 0.0003806700000000 ] - [ -0.0000882300000000, -0.0000540400000000, -0.0000068400000000 ] - [ -0.0011124400000000, -0.0019039700000000, 0.0024643400000000 ] - [ -0.0000330900000000, 0.0006634500000000, -0.0004465200000000 ] - [ -0.0002140100000000, 0.0005888300000000, -0.0004798600000000 ] - [ 0.0015562600000000, -0.0006372000000000, -0.0001983700000000 ] - [ 0.0005448700000000, 0.0008921000000000, -0.0000305600000000 ] - [ -0.0004050400000000, 0.0004454700000000, -0.0001115600000000 ] - [ 0.0000410700000000, 0.0002457100000000, 0.0000357600000000 ] - [ -0.0000031500000000, 0.0000093200000000, 0.0000943100000000 ] - [ 0.0002237300000000, -0.0002199400000000, -0.0004073100000000 ] - [ -0.0008530000000000, 0.0008466300000000, -0.0002551500000000 ] - [ -0.0003447600000000, 0.0008499600000000, -0.0004435200000000 ] - [ 0.0003103000000000, 0.0003172900000000, -0.0000122100000000 ] - [ 0.0000441000000000, -0.0002889100000000, -0.0000166800000000 ] - [ 0.0001032100000000, 0.0010953700000000, -0.0002617900000000 ] - [ -0.0008375800000000, -0.0009185000000000, 0.0000067000000000 ] - [ 0.0000977200000000, -0.0001875900000000, 0.0001140400000000 ] - [ -0.0018173100000000, -0.0026954000000000, 0.0001644200000000 ] - [ -0.0001371500000000, -0.0002808800000000, -0.0005259000000000 ] - [ -0.0001470400000000, -0.0010014800000000, 0.0001035500000000 ] - [ -0.0001338800000000, -0.0005227300000000, 0.0006887900000000 ] - [ -0.0000829900000000, -0.0004396600000000, 0.0000321400000000 ] - [ -0.0033698200000000, 0.0000572300000000, 0.0014188500000000 ] - [ -0.0004107100000000, 0.0002170800000000, 0.0001179300000000 ] - [ -0.0005510000000000, -0.0000582000000000, 0.0003877900000000 ] - [ 0.0000825900000000, 0.0002868200000000, 0.0001934600000000 ] - [ 0.0001086300000000, 0.0003171000000000, 0.0000682900000000 ] - [ 0.0000851900000000, 0.0001406500000000, -0.0004195000000000 ] - [ 0.0002581900000000, 0.0000119000000000, -0.0003245700000000 ] - [ 0.0002415800000000, 0.0009436100000000, -0.0000166400000000 ] - [ -0.0005456800000000, -0.0009842300000000, 0.0001800300000000 ] - [ -0.0011707400000000, -0.0012886000000000, -0.0001586000000000 ] - [ 0.0000170600000000, -0.0002227300000000, 0.0002887100000000 ] - [ 0.0002579200000000, -0.0004230500000000, -0.0006474900000000 ] - [ -0.0000252500000000, -0.0007677200000000, -0.0012188000000000 ] - [ 0.0000367600000000, -0.0014700700000000, -0.0006193900000000 ] - [ 0.0001002300000000, 0.0002046100000000, -0.0006387100000000 ] - [ -0.0000796300000000, 0.0011398300000000, 0.0001239800000000 ] - [ 0.0001797900000000, 0.0002421400000000, -0.0002576700000000 ] - [ 0.0001793700000000, 0.0009630000000000, 0.0001137200000000 ] - [ -0.0007136100000000, 0.0007228200000000, 0.0004316900000000 ] - [ -0.0001819600000000, 0.0002579700000000, 0.0002008400000000 ] - [ -0.0000237200000000, 0.0002243200000000, 0.0003735700000000 ] - [ 0.0001022200000000, 0.0008169400000000, -0.0002369100000000 ] - [ 0.0004561600000000, 0.0002951800000000, -0.0003062200000000 ] - [ 0.0003869700000000, -0.0012716600000000, -0.0002360700000000 ] - [ -0.0002932800000000, -0.0028302000000000, -0.0001777900000000 ] - [ 0.0005531600000000, -0.0007494900000000, -0.0000074900000000 ] - [ 0.0003893700000000, -0.0000025400000000, -0.0005586100000000 ] - [ -0.0001504000000000, 0.0005215200000000, -0.0004624400000000 ] - [ 0.0004184600000000, -0.0010496400000000, 0.0001420600000000 ] - [ 0.0005350400000000, 0.0007896900000000, -0.0002711200000000 ]- atom: 8 displacement: [ -0.0035230240541542, 0.0000000000000000, 0.0093588621911988 ] forces: - [ 0.0001304100000000, 0.0001467500000000, -0.0002690200000000 ] - [ -0.0000646500000000, 0.0002412300000000, 0.0001227600000000 ] - [ 0.0000340300000000, 0.0000343200000000, 0.0006304700000000 ] - [ 0.0000624200000000, -0.0003394400000000, 0.0004962400000000 ] - [ -0.0000025000000000, -0.0006572300000000, -0.0002714700000000 ] - [ 0.0001024400000000, 0.0001674600000000, 0.0001451500000000 ] - [ -0.0001281800000000, 0.0000039900000000, -0.0001454500000000 ] - [ 0.0112572600000000, 0.0035503200000000, -0.0258228800000000 ] - [ 0.0009862900000000, 0.0024940800000000, 0.0001584300000000 ] - [ 0.0001075300000000, 0.0000491400000000, -0.0003781100000000 ] - [ 0.0000473900000000, 0.0002559400000000, -0.0001951200000000 ] - [ 0.0001851200000000, -0.0004084300000000, 0.0001767900000000 ] - [ 0.0004138900000000, -0.0001706900000000, 0.0002349500000000 ] - [ -0.0001022600000000, -0.0001393500000000, 0.0002384600000000 ] - [ -0.0000337800000000, -0.0000609400000000, 0.0002360700000000 ] - [ -0.0002920700000000, 0.0000018700000000, 0.0000299600000000 ] - [ -0.0003091000000000, -0.0007521500000000, -0.0008624900000000 ] - [ 0.0002200100000000, -0.0002361400000000, -0.0001946900000000 ] - [ -0.0004369200000000, 0.0001602700000000, -0.0000601900000000 ] - [ -0.0004012000000000, 0.0004746100000000, 0.0000283200000000 ] - [ 0.0003301600000000, -0.0000195000000000, -0.0001980500000000 ] - [ -0.0001786200000000, 0.0005282400000000, 0.0001556900000000 ] - [ -0.0004293600000000, 0.0000074300000000, 0.0003407800000000 ] - [ 0.0000866800000000, 0.0000467500000000, 0.0006468000000000 ] - [ 0.0001998000000000, -0.0015052600000000, -0.0000839800000000 ] - [ -0.0001492400000000, -0.0006063800000000, 0.0000493900000000 ] - [ 0.0009861100000000, 0.0011110000000000, 0.0102862900000000 ] - [ -0.0011110200000000, 0.0007460800000000, -0.0008404600000000 ] - [ -0.0001006800000000, -0.0002012400000000, 0.0001127000000000 ] - [ -0.0054763500000000, -0.0032031300000000, 0.0003072000000000 ] - [ -0.0001818800000000, 0.0003567800000000, 0.0002963600000000 ] - [ 0.0001786700000000, 0.0003583500000000, -0.0001900600000000 ] - [ -0.0002193100000000, 0.0006236900000000, 0.0001886700000000 ] - [ -0.0001735700000000, -0.0001285700000000, -0.0003345100000000 ] - [ -0.0002643000000000, 0.0001051900000000, 0.0002899000000000 ] - [ 0.0002382300000000, 0.0001683100000000, -0.0001390000000000 ] - [ -0.0056346600000000, -0.0021026000000000, 0.0047084300000000 ] - [ 0.0001385100000000, -0.0005270400000000, -0.0006438800000000 ] - [ 0.0001690400000000, 0.0057820900000000, -0.0006823800000000 ] - [ 0.0002410500000000, -0.0001951700000000, 0.0001187500000000 ] - [ 0.0038125900000000, -0.0016554400000000, -0.0025981600000000 ] - [ -0.0004049100000000, 0.0013614800000000, 0.0040207800000000 ] - [ -0.0002750100000000, -0.0005887200000000, 0.0009186900000000 ] - [ -0.0001525700000000, 0.0000820200000000, 0.0003434100000000 ] - [ -0.0021215700000000, -0.0005824900000000, -0.0028672400000000 ] - [ 0.0009093500000000, 0.0005978400000000, 0.0012866000000000 ] - [ 0.0008255700000000, 0.0007538300000000, 0.0009786300000000 ] - [ 0.0002355300000000, -0.0014388300000000, 0.0030471400000000 ] - [ -0.0003647400000000, 0.0002908900000000, 0.0000078000000000 ] - [ -0.0000135500000000, -0.0000441900000000, 0.0000710400000000 ] - [ -0.0006954700000000, -0.0009353200000000, 0.0012623200000000 ] - [ 0.0040119500000000, -0.0067975700000000, -0.0018751300000000 ] - [ 0.0040519300000000, -0.0002914000000000, -0.0011996600000000 ] - [ -0.0000427500000000, 0.0002430400000000, 0.0000833900000000 ] - [ 0.0004367400000000, -0.0002477400000000, 0.0001076500000000 ] - [ 0.0002836100000000, -0.0003611300000000, 0.0001040100000000 ] - [ -0.0002653800000000, -0.0004430400000000, 0.0000386200000000 ] - [ 0.0001610600000000, -0.0003712700000000, -0.0000835300000000 ] - [ -0.0052169700000000, 0.0031074600000000, 0.0004073400000000 ] - [ -0.0004357700000000, -0.0003634300000000, 0.0000374300000000 ] - [ -0.0005445500000000, 0.0002989100000000, -0.0029683600000000 ] - [ 0.0001309900000000, 0.0000322200000000, 0.0005625000000000 ] - [ 0.0000548100000000, 0.0004720500000000, 0.0001239700000000 ] - [ -0.0010212300000000, -0.0003064600000000, 0.0004600600000000 ] - [ -0.0001229600000000, -0.0001196300000000, 0.0000482900000000 ] - [ 0.0007377800000000, -0.0006782300000000, 0.0009984300000000 ] - [ -0.0000480700000000, 0.0005218100000000, 0.0014371500000000 ] - [ -0.0064377200000000, 0.0050250500000000, -0.0011328300000000 ] - [ -0.0000866100000000, 0.0004750000000000, 0.0004679600000000 ] - [ 0.0000739900000000, 0.0002446600000000, -0.0004125900000000 ] - [ 0.0000939400000000, -0.0000892000000000, 0.0012470000000000 ] - [ 0.0000888600000000, 0.0003782000000000, 0.0000156600000000 ] - [ -0.0013241400000000, -0.0009282900000000, -0.0004869300000000 ] - [ -0.0002133700000000, -0.0000547600000000, 0.0000675300000000 ] - [ 0.0002425900000000, -0.0000414500000000, -0.0008260500000000 ] - [ -0.0002024900000000, -0.0001866700000000, -0.0001113800000000 ] - [ -0.0000024800000000, -0.0002931900000000, -0.0000702000000000 ] - [ 0.0000854500000000, 0.0000265000000000, -0.0001529400000000 ] - [ 0.0009101300000000, -0.0000015100000000, 0.0010477200000000 ] - [ -0.0007688200000000, -0.0051037100000000, 0.0005330600000000 ] - [ 0.0002893600000000, 0.0001737400000000, 0.0001612800000000 ] - [ -0.0015134400000000, 0.0009921200000000, 0.0053132500000000 ] - [ -0.0002107500000000, -0.0001207800000000, 0.0003842100000000 ] - [ -0.0000011100000000, 0.0001624500000000, 0.0000320200000000 ] - [ -0.0009583600000000, 0.0006219100000000, 0.0025288900000000 ] - [ 0.0002217600000000, -0.0001704400000000, 0.0003143000000000 ] - [ 0.0001862100000000, 0.0000097700000000, 0.0000182800000000 ] - [ -0.0003792800000000, 0.0001119600000000, -0.0002826500000000 ] - [ -0.0002497300000000, 0.0001043100000000, 0.0003871800000000 ] - [ -0.0000593100000000, -0.0001280100000000, -0.0002216300000000 ] - [ 0.0007637700000000, 0.0000679700000000, 0.0012956800000000 ] - [ -0.0003976800000000, -0.0000571300000000, 0.0003326600000000 ] - [ -0.0002475100000000, 0.0002379800000000, 0.0001086100000000 ] - [ -0.0000670200000000, 0.0001217900000000, -0.0009244800000000 ] - [ -0.0008189600000000, -0.0001850200000000, 0.0026748800000000 ] - [ 0.0014838700000000, -0.0029970400000000, -0.0000428600000000 ] - [ -0.0007591900000000, 0.0026198700000000, 0.0007443700000000 ] - [ 0.0000212800000000, -0.0005451600000000, -0.0001967000000000 ] - [ -0.0000995500000000, -0.0000085400000000, -0.0005160100000000 ] - [ -0.0025926500000000, -0.0008121500000000, 0.0003064200000000 ] - [ -0.0005017900000000, -0.0003341900000000, 0.0011081100000000 ] - [ -0.0004525700000000, -0.0008704100000000, -0.0015685000000000 ] - [ 0.0003568000000000, 0.0000560700000000, 0.0006141600000000 ] - [ 0.0000722800000000, -0.0002948200000000, 0.0002395500000000 ] - [ 0.0000770800000000, -0.0007145800000000, -0.0003355000000000 ] - [ 0.0007667300000000, 0.0000936500000000, 0.0011709700000000 ] - [ -0.0003358500000000, 0.0001015800000000, -0.0011917400000000 ] - [ -0.0010805500000000, 0.0015823800000000, -0.0005122000000000 ] - [ -0.0012132500000000, 0.0018557300000000, 0.0010664600000000 ] - [ -0.0000245700000000, -0.0001661600000000, -0.0007244200000000 ] - [ -0.0001388700000000, -0.0001830000000000, 0.0005575300000000 ] - [ 0.0002261600000000, -0.0000417900000000, -0.0000363800000000 ] - [ 0.0002431800000000, 0.0000499800000000, -0.0001299000000000 ] - [ 0.0001791900000000, -0.0003482200000000, 0.0003580800000000 ] - [ -0.0014105700000000, -0.0011952700000000, 0.0030799900000000 ] - [ 0.0001852700000000, 0.0000771400000000, -0.0002370700000000 ] - [ 0.0019294400000000, 0.0008428700000000, 0.0009572900000000 ] - [ 0.0001371900000000, -0.0001022400000000, 0.0001069500000000 ] - [ -0.0002215400000000, -0.0002358700000000, -0.0002027800000000 ] - [ 0.0003741700000000, -0.0000514500000000, 0.0005808800000000 ] - [ 0.0007379300000000, 0.0022396700000000, -0.0001534000000000 ] - [ -0.0002071900000000, -0.0000974600000000, 0.0001106100000000 ] - [ -0.0002279000000000, -0.0003649700000000, -0.0001396200000000 ] - [ 0.0001807000000000, -0.0004264000000000, 0.0000676400000000 ] - [ -0.0001242100000000, -0.0003706600000000, -0.0000578100000000 ] - [ 0.0026978100000000, -0.0025649400000000, -0.0021949200000000 ] - [ -0.0000103300000000, -0.0002165200000000, -0.0002542000000000 ] - [ -0.0001919200000000, 0.0002652200000000, -0.0004479600000000 ] - [ -0.0005988600000000, -0.0000964700000000, 0.0005315800000000 ] - [ 0.0005955300000000, 0.0004032000000000, -0.0000028500000000 ] - [ -0.0002485700000000, 0.0000021000000000, 0.0001761300000000 ] - [ -0.0001003300000000, -0.0000114000000000, -0.0000878900000000 ] - [ -0.0001931300000000, -0.0003652400000000, -0.0002329600000000 ] - [ 0.0007198600000000, 0.0008975700000000, -0.0006854900000000 ] - [ -0.0006866600000000, 0.0003255000000000, 0.0000050800000000 ] - [ 0.0002721300000000, 0.0008555200000000, 0.0000805300000000 ] - [ 0.0004672900000000, -0.0000220600000000, 0.0000045700000000 ] - [ 0.0006487600000000, 0.0003963700000000, -0.0023673800000000 ] - [ 0.0000698900000000, 0.0006753600000000, -0.0002329400000000 ] - [ 0.0003520400000000, -0.0000365300000000, -0.0009007500000000 ] - [ 0.0001383800000000, -0.0001129100000000, 0.0000531000000000 ] - [ 0.0026212200000000, 0.0001627900000000, 0.0009561500000000 ] - [ -0.0001434800000000, -0.0000169400000000, -0.0007251800000000 ] - [ -0.0015231400000000, 0.0004173000000000, -0.0009551100000000 ] - [ -0.0006703500000000, 0.0002033400000000, -0.0005798000000000 ] - [ 0.0000915300000000, 0.0000293600000000, -0.0005946200000000 ] - [ 0.0005291200000000, -0.0020299800000000, 0.0039068100000000 ] - [ -0.0004861800000000, -0.0002680700000000, 0.0000378100000000 ] - [ -0.0002101200000000, -0.0009887400000000, -0.0002982700000000 ] - [ 0.0000573700000000, -0.0000464800000000, -0.0000862600000000 ] - [ 0.0000839600000000, -0.0002107700000000, -0.0003608400000000 ] - [ 0.0003740200000000, 0.0003048500000000, -0.0001347500000000 ] - [ 0.0002437000000000, -0.0003124300000000, -0.0005694900000000 ] - [ 0.0001552100000000, 0.0004889800000000, 0.0001566100000000 ] - [ 0.0009948700000000, 0.0007391600000000, -0.0015207200000000 ] - [ 0.0027274600000000, 0.0001697300000000, 0.0005562500000000 ] - [ 0.0004391900000000, -0.0009385500000000, -0.0001591100000000 ] - [ 0.0006206300000000, 0.0003122400000000, -0.0007657400000000 ] - [ -0.0001680800000000, -0.0001586300000000, -0.0005971400000000 ] - [ -0.0001589700000000, -0.0001233400000000, -0.0014391600000000 ] - [ 0.0000778300000000, 0.0000982300000000, -0.0006818000000000 ] - [ -0.0000449000000000, 0.0005570300000000, 0.0000561300000000 ] - [ 0.0004409800000000, 0.0007587400000000, 0.0000861900000000 ] - [ 0.0000681600000000, 0.0000513600000000, 0.0005573800000000 ] - [ -0.0003271700000000, 0.0000408300000000, 0.0002819400000000 ] - [ -0.0001219300000000, 0.0000680800000000, -0.0001883600000000 ] - [ -0.0000279200000000, 0.0000572200000000, 0.0000644700000000 ] - [ 0.0001371800000000, 0.0002611100000000, -0.0001407500000000 ] - [ 0.0002902100000000, 0.0004278900000000, -0.0001937600000000 ] - [ -0.0003489600000000, -0.0002434400000000, -0.0008711300000000 ] - [ -0.0015231600000000, 0.0000734200000000, 0.0029636200000000 ] - [ -0.0001406800000000, -0.0003210200000000, -0.0014109600000000 ] - [ 0.0002647000000000, 0.0009001200000000, -0.0008799900000000 ] - [ -0.0002262200000000, 0.0000798800000000, -0.0001408800000000 ] - [ 0.0006550800000000, -0.0005284300000000, -0.0004556700000000 ] - [ 0.0003668900000000, 0.0001412900000000, -0.0000901700000000 ]- atom: 8 displacement: [ 0.0035230240541542, 0.0000000000000000, -0.0093588621911988 ] forces: - [ 0.0000597600000000, -0.0003620300000000, 0.0004532800000000 ] - [ -0.0000633000000000, 0.0001972300000000, -0.0001786600000000 ] - [ 0.0005809200000000, -0.0000450900000000, -0.0007771900000000 ] - [ 0.0000302900000000, -0.0003242600000000, -0.0002160000000000 ] - [ -0.0000899700000000, -0.0000060600000000, -0.0000090200000000 ] - [ -0.0002926000000000, -0.0003802900000000, -0.0003282900000000 ] - [ -0.0000618300000000, 0.0002089900000000, -0.0000396000000000 ] - [ -0.0105045800000000, -0.0031271700000000, 0.0264543100000000 ] - [ -0.0009212100000000, -0.0025942500000000, -0.0002854000000000 ] - [ -0.0001676600000000, 0.0000557700000000, 0.0004912800000000 ] - [ 0.0000432500000000, 0.0004060000000000, 0.0004739500000000 ] - [ -0.0000575100000000, -0.0000308600000000, -0.0001199500000000 ] - [ 0.0004532300000000, -0.0001649500000000, -0.0000176000000000 ] - [ 0.0001609000000000, 0.0002439800000000, -0.0003515600000000 ] - [ -0.0000247500000000, -0.0000434100000000, -0.0001224000000000 ] - [ -0.0003232200000000, -0.0000118700000000, 0.0001168000000000 ] - [ 0.0001844500000000, 0.0003160400000000, 0.0008044600000000 ] - [ -0.0010886400000000, -0.0000985400000000, -0.0000279500000000 ] - [ -0.0004304300000000, 0.0001755300000000, -0.0001570200000000 ] - [ 0.0005271300000000, -0.0000348700000000, 0.0000262600000000 ] - [ 0.0002850000000000, 0.0000292000000000, 0.0000506600000000 ] - [ 0.0000868700000000, 0.0001352400000000, -0.0004347800000000 ] - [ -0.0001844300000000, 0.0000022000000000, -0.0001914800000000 ] - [ 0.0001024300000000, 0.0001677800000000, -0.0004621800000000 ] - [ 0.0003235800000000, 0.0011842500000000, 0.0010063900000000 ] - [ 0.0002187600000000, 0.0001318700000000, 0.0002398300000000 ] - [ -0.0013794000000000, -0.0021539800000000, -0.0097295200000000 ] - [ 0.0005926700000000, -0.0010656100000000, -0.0000769600000000 ] - [ 0.0000316100000000, 0.0006738100000000, -0.0004010300000000 ] - [ 0.0057054500000000, 0.0035462100000000, -0.0011658500000000 ] - [ -0.0000042800000000, -0.0000440500000000, 0.0005758200000000 ] - [ -0.0000617000000000, 0.0000177400000000, 0.0002783300000000 ] - [ -0.0001527200000000, 0.0004023200000000, 0.0004741200000000 ] - [ -0.0003515300000000, 0.0004476800000000, -0.0005851300000000 ] - [ 0.0001467400000000, -0.0004793300000000, -0.0003785400000000 ] - [ -0.0000521800000000, -0.0004808100000000, -0.0007326900000000 ] - [ 0.0059737800000000, 0.0022574500000000, -0.0047513300000000 ] - [ 0.0002329200000000, -0.0004986600000000, -0.0000201100000000 ] - [ -0.0002516300000000, -0.0062834700000000, 0.0004105900000000 ] - [ 0.0001567400000000, 0.0000115900000000, -0.0002043100000000 ] - [ -0.0039236400000000, 0.0020106500000000, 0.0025394500000000 ] - [ 0.0009237700000000, -0.0010334600000000, -0.0030932100000000 ] - [ 0.0003909900000000, 0.0002109500000000, -0.0008326000000000 ] - [ -0.0002463800000000, 0.0001025200000000, -0.0002565100000000 ] - [ 0.0017278200000000, 0.0004004600000000, 0.0029458200000000 ] - [ -0.0005382200000000, 0.0004265400000000, -0.0019486700000000 ] - [ -0.0007511000000000, -0.0002773200000000, -0.0006968800000000 ] - [ -0.0004210000000000, 0.0011165400000000, -0.0021780200000000 ] - [ 0.0000480200000000, -0.0007651900000000, -0.0000617000000000 ] - [ 0.0000845900000000, 0.0004391000000000, 0.0000977700000000 ] - [ 0.0011520700000000, 0.0010079900000000, -0.0019550900000000 ] - [ -0.0037047200000000, 0.0066361700000000, 0.0023864800000000 ] - [ -0.0036214700000000, 0.0009733600000000, 0.0009829700000000 ] - [ -0.0003773700000000, 0.0004182000000000, 0.0001559700000000 ] - [ -0.0001213600000000, -0.0002296200000000, -0.0000541200000000 ] - [ 0.0000166800000000, -0.0004184700000000, -0.0005580500000000 ] - [ 0.0002997100000000, 0.0010523900000000, -0.0002555100000000 ] - [ 0.0002591600000000, -0.0002904200000000, -0.0001558000000000 ] - [ 0.0051649400000000, -0.0027176900000000, -0.0006034600000000 ] - [ 0.0004044800000000, -0.0002503200000000, 0.0001791800000000 ] - [ 0.0002218300000000, -0.0001658300000000, 0.0024012500000000 ] - [ 0.0001623100000000, 0.0001005600000000, -0.0000183400000000 ] - [ -0.0000878700000000, 0.0001403100000000, 0.0000922600000000 ] - [ 0.0005978300000000, -0.0003548900000000, -0.0002206300000000 ] - [ -0.0001693700000000, -0.0000127500000000, -0.0005916700000000 ] - [ -0.0004861900000000, 0.0004229400000000, -0.0011379500000000 ] - [ -0.0002048000000000, -0.0002633600000000, -0.0012946500000000 ] - [ 0.0066750700000000, -0.0041718700000000, 0.0006570400000000 ] - [ -0.0002142300000000, 0.0003055300000000, -0.0000120500000000 ] - [ 0.0001790200000000, 0.0000150200000000, 0.0002695200000000 ] - [ -0.0005432400000000, 0.0000195500000000, -0.0005502700000000 ] - [ 0.0002273400000000, 0.0000984400000000, 0.0000381200000000 ] - [ 0.0010204500000000, 0.0001472200000000, 0.0009390800000000 ] - [ -0.0002369900000000, 0.0001232100000000, 0.0006245400000000 ] - [ 0.0002084300000000, -0.0000292000000000, 0.0001290900000000 ] - [ -0.0000508100000000, -0.0000723700000000, 0.0002518300000000 ] - [ -0.0000686900000000, -0.0001029900000000, -0.0000985000000000 ] - [ -0.0000538200000000, -0.0006384800000000, -0.0000629200000000 ] - [ -0.0008315000000000, -0.0003929900000000, -0.0008712000000000 ] - [ 0.0004419400000000, 0.0055925900000000, -0.0006021000000000 ] - [ 0.0001843800000000, 0.0006285300000000, -0.0000960900000000 ] - [ 0.0013791300000000, -0.0010167200000000, -0.0044702300000000 ] - [ -0.0003415800000000, -0.0000498100000000, 0.0000901900000000 ] - [ -0.0002713300000000, 0.0006136300000000, -0.0002751800000000 ] - [ 0.0010192100000000, -0.0006163600000000, -0.0020673900000000 ] - [ 0.0002634600000000, 0.0002416800000000, -0.0000979700000000 ] - [ 0.0003019400000000, -0.0001160600000000, -0.0002704100000000 ] - [ -0.0001824500000000, -0.0000249000000000, 0.0000751000000000 ] - [ -0.0001413900000000, -0.0001735000000000, 0.0000266400000000 ] - [ 0.0005335300000000, -0.0006733100000000, 0.0002871700000000 ] - [ -0.0005333100000000, 0.0000689500000000, -0.0010142400000000 ] - [ 0.0001219700000000, 0.0011429200000000, 0.0000144200000000 ] - [ -0.0002339900000000, 0.0002723600000000, 0.0007263100000000 ] - [ 0.0006369300000000, -0.0001508900000000, 0.0014961800000000 ] - [ 0.0006686600000000, -0.0009953000000000, -0.0023384800000000 ] - [ -0.0012716400000000, 0.0018800500000000, -0.0003219500000000 ] - [ 0.0010312900000000, -0.0018450400000000, -0.0005001200000000 ] - [ 0.0001304500000000, -0.0006325300000000, -0.0001426200000000 ] - [ -0.0002922500000000, 0.0000770900000000, 0.0009268300000000 ] - [ 0.0022043700000000, 0.0016578200000000, -0.0004150000000000 ] - [ 0.0006335300000000, 0.0003536500000000, -0.0019236100000000 ] - [ -0.0001169700000000, 0.0009032400000000, 0.0009959400000000 ] - [ 0.0002142400000000, -0.0000279600000000, -0.0000416200000000 ] - [ -0.0002916600000000, -0.0008315500000000, 0.0001278200000000 ] - [ 0.0001974000000000, -0.0003697100000000, -0.0000116300000000 ] - [ -0.0009911100000000, -0.0000082800000000, -0.0009774900000000 ] - [ -0.0001495200000000, -0.0000293200000000, 0.0009764000000000 ] - [ 0.0015595700000000, -0.0010657000000000, -0.0003177700000000 ] - [ 0.0014138000000000, -0.0020393500000000, -0.0011487100000000 ] - [ -0.0003083700000000, 0.0007105400000000, 0.0013117700000000 ] - [ -0.0001947000000000, -0.0003623900000000, 0.0000299700000000 ] - [ 0.0003408700000000, -0.0000482600000000, 0.0002432900000000 ] - [ 0.0000892100000000, 0.0004911700000000, -0.0004534600000000 ] - [ -0.0001106900000000, 0.0004703500000000, 0.0003062800000000 ] - [ 0.0009466100000000, 0.0006873700000000, -0.0022358100000000 ] - [ 0.0000509500000000, 0.0000121400000000, 0.0000430300000000 ] - [ -0.0013576900000000, -0.0007489300000000, -0.0007447500000000 ] - [ 0.0001880900000000, 0.0002394000000000, 0.0002256700000000 ] - [ -0.0000500400000000, -0.0005393800000000, -0.0000401700000000 ] - [ -0.0000511200000000, -0.0000865800000000, -0.0002501200000000 ] - [ -0.0012107700000000, -0.0014439200000000, 0.0000880000000000 ] - [ -0.0000682200000000, -0.0001425100000000, 0.0002211800000000 ] - [ -0.0000978500000000, 0.0002246200000000, -0.0001929700000000 ] - [ 0.0000381700000000, 0.0007591500000000, 0.0000487900000000 ] - [ -0.0002618800000000, -0.0004948900000000, -0.0000015600000000 ] - [ -0.0029459300000000, 0.0024277100000000, 0.0019483000000000 ] - [ -0.0000588100000000, 0.0000946600000000, -0.0004095200000000 ] - [ -0.0000386300000000, -0.0001278400000000, 0.0001649900000000 ] - [ 0.0015337800000000, 0.0002298300000000, -0.0004098100000000 ] - [ 0.0003705400000000, 0.0001845300000000, -0.0001291100000000 ] - [ -0.0002365700000000, -0.0000739200000000, -0.0003913800000000 ] - [ -0.0001359700000000, -0.0000779500000000, 0.0002808100000000 ] - [ -0.0000232700000000, 0.0000335100000000, 0.0001159700000000 ] - [ -0.0005638600000000, 0.0002812900000000, 0.0003453300000000 ] - [ -0.0002536900000000, -0.0001838200000000, -0.0001286600000000 ] - [ 0.0000043600000000, 0.0002317100000000, -0.0004294900000000 ] - [ 0.0004755300000000, -0.0001210200000000, 0.0001187500000000 ] - [ -0.0002574300000000, -0.0004650900000000, 0.0019507600000000 ] - [ 0.0001490400000000, 0.0004527200000000, -0.0001344900000000 ] - [ -0.0012871000000000, -0.0001041200000000, 0.0007769600000000 ] - [ -0.0004152500000000, -0.0009715800000000, 0.0002953800000000 ] - [ -0.0031673600000000, -0.0002582100000000, -0.0011547000000000 ] - [ 0.0000754700000000, 0.0001418800000000, 0.0000624200000000 ] - [ 0.0009761300000000, -0.0002471700000000, 0.0014290200000000 ] - [ 0.0004476700000000, 0.0009176900000000, 0.0009442700000000 ] - [ 0.0003957900000000, 0.0000767900000000, 0.0003409300000000 ] - [ -0.0007815100000000, 0.0018931300000000, -0.0034485900000000 ] - [ -0.0004792200000000, -0.0003193700000000, 0.0000944400000000 ] - [ -0.0002632400000000, 0.0001839000000000, 0.0002333000000000 ] - [ 0.0001709500000000, -0.0000913300000000, 0.0003660000000000 ] - [ 0.0001478500000000, 0.0000782000000000, -0.0000635600000000 ] - [ -0.0001408700000000, -0.0001715400000000, -0.0002878500000000 ] - [ 0.0002383800000000, -0.0001977300000000, -0.0002665800000000 ] - [ 0.0002319200000000, 0.0003773700000000, -0.0000974500000000 ] - [ -0.0014873400000000, -0.0008488200000000, 0.0017789000000000 ] - [ -0.0030127200000000, 0.0000707700000000, -0.0002209900000000 ] - [ -0.0001680200000000, 0.0001587600000000, 0.0004027800000000 ] - [ -0.0001360100000000, -0.0003837500000000, 0.0009794600000000 ] - [ 0.0005002700000000, -0.0003844300000000, 0.0000081600000000 ] - [ 0.0004335400000000, -0.0001139900000000, 0.0011005500000000 ] - [ 0.0000537600000000, -0.0001169400000000, -0.0001523900000000 ] - [ -0.0001060200000000, 0.0006208300000000, 0.0002824100000000 ] - [ -0.0006597900000000, -0.0004281400000000, -0.0002054800000000 ] - [ 0.0003236500000000, 0.0000168200000000, -0.0009720800000000 ] - [ -0.0001601600000000, 0.0000646800000000, -0.0000290700000000 ] - [ -0.0001112800000000, 0.0000667100000000, 0.0006144200000000 ] - [ -0.0001038600000000, -0.0000376200000000, 0.0007659500000000 ] - [ 0.0001377600000000, -0.0000214900000000, -0.0001911900000000 ] - [ -0.0000728700000000, -0.0007588600000000, 0.0003119900000000 ] - [ 0.0013079300000000, -0.0003422100000000, 0.0007372100000000 ] - [ 0.0008075100000000, 0.0004064800000000, -0.0031005600000000 ] - [ 0.0006951800000000, 0.0001523300000000, 0.0009409400000000 ] - [ -0.0005914000000000, -0.0007572600000000, 0.0005480600000000 ] - [ -0.0003457600000000, -0.0001075500000000, -0.0004326700000000 ] - [ -0.0002658800000000, -0.0003388000000000, 0.0005156900000000 ] - [ 0.0001869500000000, 0.0000323700000000, -0.0003821800000000 ]- atom: 9 displacement: [ 0.0099999639143206, 0.0000000000000000, -0.0000268647033593 ] forces: - [ 0.0014049400000000, -0.0022925000000000, 0.0018950800000000 ] - [ -0.0000453500000000, 0.0002379400000000, -0.0000439500000000 ] - [ 0.0003218000000000, 0.0000868300000000, -0.0002078300000000 ] - [ -0.0002467600000000, -0.0003540300000000, 0.0001575600000000 ] - [ -0.0000885200000000, -0.0003014600000000, -0.0001310700000000 ] - [ -0.0000872100000000, -0.0000866500000000, -0.0000666300000000 ] - [ -0.0000538400000000, 0.0001394800000000, -0.0000785100000000 ] - [ -0.0011697800000000, 0.0005250800000000, 0.0005256100000000 ] - [ -0.0350152600000000, -0.0065323900000000, 0.0099624000000000 ] - [ -0.0000341400000000, 0.0000233200000000, 0.0000622100000000 ] - [ 0.0063253800000000, 0.0046022600000000, -0.0034199600000000 ] - [ 0.0001001900000000, -0.0002755200000000, 0.0001989100000000 ] - [ 0.0004472100000000, -0.0002816700000000, -0.0000280600000000 ] - [ 0.0000341700000000, 0.0000256400000000, -0.0003072900000000 ] - [ -0.0000412900000000, -0.0000356400000000, 0.0000466400000000 ] - [ -0.0001184700000000, 0.0004180000000000, 0.0001476700000000 ] - [ -0.0000655400000000, -0.0001241200000000, 0.0000239900000000 ] - [ -0.0002407000000000, -0.0008775500000000, 0.0001126900000000 ] - [ -0.0004154700000000, 0.0001792100000000, -0.0001072900000000 ] - [ 0.0018891100000000, 0.0001607100000000, 0.0000755700000000 ] - [ 0.0001913300000000, 0.0000733700000000, -0.0000655900000000 ] - [ -0.0000504500000000, 0.0003381600000000, -0.0001746300000000 ] - [ -0.0002369600000000, -0.0000094400000000, 0.0000869800000000 ] - [ 0.0004218100000000, 0.0000892800000000, 0.0000444200000000 ] - [ -0.0008583500000000, 0.0000292200000000, -0.0004098000000000 ] - [ 0.0009021400000000, -0.0001095400000000, -0.0003051100000000 ] - [ -0.0003672200000000, -0.0004038200000000, 0.0003201500000000 ] - [ -0.0000175600000000, -0.0002060900000000, -0.0004381200000000 ] - [ -0.0000867500000000, 0.0002934000000000, -0.0002121400000000 ] - [ 0.0013097900000000, -0.0003313300000000, -0.0037219200000000 ] - [ -0.0001070100000000, 0.0002906800000000, 0.0003797200000000 ] - [ 0.0000749300000000, 0.0002004500000000, 0.0000943800000000 ] - [ 0.0000245100000000, -0.0003488200000000, 0.0005341000000000 ] - [ -0.0002638800000000, 0.0002644100000000, -0.0004324000000000 ] - [ 0.0019693500000000, -0.0003323600000000, -0.0000324900000000 ] - [ -0.0025337000000000, -0.0000300500000000, 0.0004999900000000 ] - [ 0.0010509600000000, 0.0028256400000000, -0.0008462000000000 ] - [ 0.0005147800000000, -0.0003452400000000, -0.0003753500000000 ] - [ -0.0002855900000000, -0.0002939200000000, -0.0000788100000000 ] - [ 0.0001078300000000, -0.0000640400000000, -0.0000468500000000 ] - [ 0.0008536400000000, 0.0005306400000000, 0.0036675500000000 ] - [ 0.0028024100000000, 0.0033176800000000, -0.0082464900000000 ] - [ 0.0003069800000000, -0.0000503600000000, -0.0000545600000000 ] - [ -0.0000797700000000, 0.0004370900000000, 0.0002764800000000 ] - [ 0.0023003500000000, -0.0001206400000000, 0.0004731900000000 ] - [ 0.0002983500000000, 0.0001759600000000, -0.0000815500000000 ] - [ 0.0019306900000000, -0.0024791500000000, 0.0077401400000000 ] - [ -0.0004865100000000, -0.0000623600000000, 0.0003101700000000 ] - [ 0.0026307800000000, -0.0022363300000000, -0.0013736600000000 ] - [ 0.0000143500000000, 0.0006386600000000, 0.0000575500000000 ] - [ 0.0001095300000000, 0.0002856000000000, -0.0013598500000000 ] - [ -0.0004035100000000, 0.0001782400000000, 0.0004249700000000 ] - [ 0.0001410700000000, 0.0009402500000000, 0.0001452200000000 ] - [ -0.0002620400000000, 0.0002087200000000, 0.0002242300000000 ] - [ 0.0001240100000000, -0.0003301200000000, 0.0000226700000000 ] - [ 0.0001453500000000, -0.0005054800000000, -0.0003500600000000 ] - [ -0.0000262300000000, 0.0005806000000000, -0.0000975800000000 ] - [ 0.0003744800000000, -0.0003331600000000, -0.0001291500000000 ] - [ -0.0000622600000000, -0.0001201300000000, -0.0001757700000000 ] - [ 0.0015044600000000, -0.0004147800000000, 0.0000690000000000 ] - [ 0.0057126100000000, -0.0042935300000000, -0.0039562400000000 ] - [ 0.0001473600000000, 0.0000762400000000, 0.0002015600000000 ] - [ 0.0012705400000000, 0.0013223600000000, 0.0004864800000000 ] - [ 0.0014517300000000, -0.0002407100000000, -0.0001340400000000 ] - [ -0.0004078900000000, -0.0001209200000000, -0.0003412400000000 ] - [ 0.0002964600000000, 0.0000943600000000, 0.0006299700000000 ] - [ -0.0000979100000000, 0.0000943100000000, 0.0000223800000000 ] - [ 0.0077310800000000, 0.0060848000000000, 0.0008892900000000 ] - [ -0.0001514300000000, 0.0004188400000000, 0.0002693400000000 ] - [ 0.0007317000000000, 0.0006670800000000, 0.0000750800000000 ] - [ -0.0003429400000000, -0.0000802600000000, 0.0002702500000000 ] - [ 0.0001933100000000, 0.0002817000000000, 0.0000222000000000 ] - [ 0.0003768900000000, -0.0001750000000000, 0.0003309400000000 ] - [ -0.0002807700000000, 0.0001035700000000, 0.0003599500000000 ] - [ -0.0039505300000000, 0.0004026800000000, -0.0008376700000000 ] - [ -0.0001270700000000, -0.0001463100000000, 0.0001252900000000 ] - [ -0.0003172000000000, -0.0000929000000000, -0.0000836100000000 ] - [ -0.0000190300000000, -0.0002736800000000, -0.0001041100000000 ] - [ -0.0012259300000000, -0.0004566700000000, -0.0000251100000000 ] - [ -0.0017924100000000, 0.0001847800000000, -0.0000242800000000 ] - [ 0.0002061100000000, 0.0003811500000000, 0.0000353700000000 ] - [ 0.0001021100000000, -0.0000834500000000, 0.0002293700000000 ] - [ -0.0008078200000000, -0.0003962100000000, 0.0000292500000000 ] - [ -0.0001875500000000, 0.0003491700000000, -0.0001347800000000 ] - [ 0.0007826000000000, -0.0000429100000000, 0.0000747600000000 ] - [ 0.0025650700000000, -0.0010545100000000, -0.0001459200000000 ] - [ 0.0002158800000000, -0.0001549800000000, -0.0001127000000000 ] - [ -0.0003300300000000, 0.0000792700000000, -0.0001361800000000 ] - [ -0.0001822400000000, -0.0000943900000000, 0.0001719400000000 ] - [ 0.0002931700000000, -0.0004190000000000, 0.0000454000000000 ] - [ -0.0002280100000000, 0.0001435100000000, 0.0000320700000000 ] - [ -0.0000992900000000, 0.0005108000000000, 0.0001558700000000 ] - [ 0.0001890400000000, 0.0004526500000000, 0.0006321900000000 ] - [ 0.0002544700000000, 0.0003050600000000, -0.0008885800000000 ] - [ -0.0002846500000000, -0.0013921300000000, -0.0003128900000000 ] - [ 0.0001258200000000, -0.0003314100000000, -0.0001975000000000 ] - [ 0.0011319200000000, 0.0005723300000000, -0.0006211900000000 ] - [ 0.0000929900000000, -0.0005407000000000, -0.0002061000000000 ] - [ -0.0002016900000000, 0.0000489700000000, 0.0002410000000000 ] - [ 0.0000306800000000, 0.0002518400000000, -0.0001500600000000 ] - [ 0.0001934100000000, 0.0011579800000000, -0.0010226300000000 ] - [ -0.0002423100000000, 0.0000266800000000, -0.0002445100000000 ] - [ -0.0005106500000000, -0.0004702300000000, 0.0004414600000000 ] - [ -0.0001396500000000, -0.0009674400000000, 0.0005436200000000 ] - [ -0.0008676700000000, -0.0010265300000000, -0.0006430700000000 ] - [ -0.0033431000000000, 0.0018437500000000, 0.0016639400000000 ] - [ -0.0001563500000000, 0.0000080700000000, 0.0000024700000000 ] - [ 0.0006091800000000, 0.0002709700000000, -0.0003726400000000 ] - [ 0.0007160300000000, -0.0006464000000000, -0.0002310100000000 ] - [ -0.0002046100000000, 0.0002727800000000, 0.0003589400000000 ] - [ -0.0001521900000000, -0.0002825100000000, 0.0002468200000000 ] - [ 0.0002639400000000, -0.0000821700000000, 0.0000726200000000 ] - [ -0.0009895000000000, -0.0000430600000000, -0.0005851300000000 ] - [ -0.0009797700000000, 0.0014630200000000, 0.0003378600000000 ] - [ 0.0024783800000000, -0.0009991600000000, -0.0002253100000000 ] - [ 0.0001107800000000, 0.0000298100000000, -0.0000440900000000 ] - [ -0.0002499400000000, -0.0004756300000000, -0.0002467400000000 ] - [ -0.0003237400000000, -0.0007644900000000, 0.0000138500000000 ] - [ -0.0001843800000000, -0.0003991600000000, -0.0001095300000000 ] - [ -0.0008775600000000, 0.0000045400000000, 0.0001259300000000 ] - [ 0.0007428500000000, 0.0003277200000000, 0.0007197900000000 ] - [ 0.0000358200000000, -0.0002790400000000, 0.0000381000000000 ] - [ -0.0001343400000000, -0.0001014000000000, -0.0001714700000000 ] - [ 0.0001435700000000, 0.0001413300000000, 0.0000652100000000 ] - [ -0.0003033500000000, -0.0003982500000000, 0.0000144400000000 ] - [ 0.0061757700000000, 0.0041879100000000, -0.0014024300000000 ] - [ -0.0000757200000000, -0.0001113200000000, -0.0003087900000000 ] - [ -0.0000561400000000, 0.0000459900000000, 0.0000156600000000 ] - [ 0.0001947300000000, -0.0001981000000000, -0.0000101000000000 ] - [ 0.0003704200000000, 0.0001218000000000, -0.0000485900000000 ] - [ -0.0002130200000000, -0.0000769200000000, -0.0001007200000000 ] - [ 0.0000689300000000, -0.0000849000000000, -0.0000040400000000 ] - [ -0.0002975300000000, -0.0012784500000000, -0.0017613300000000 ] - [ -0.0005881600000000, 0.0004103100000000, 0.0000107700000000 ] - [ -0.0001943500000000, 0.0001518400000000, -0.0001482700000000 ] - [ -0.0010501100000000, 0.0006323500000000, -0.0006017700000000 ] - [ 0.0003700800000000, -0.0000909100000000, 0.0000402700000000 ] - [ 0.0001476900000000, -0.0003762700000000, 0.0014877400000000 ] - [ 0.0002107100000000, 0.0005121500000000, -0.0001747200000000 ] - [ -0.0019244800000000, -0.0007556500000000, 0.0004495800000000 ] - [ -0.0001801500000000, -0.0006709200000000, 0.0001853900000000 ] - [ -0.0034765600000000, -0.0021876200000000, -0.0003874100000000 ] - [ -0.0001030600000000, 0.0001793900000000, -0.0003546400000000 ] - [ -0.0003963100000000, 0.0001272000000000, -0.0000371500000000 ] - [ 0.0026765200000000, 0.0006458400000000, 0.0001460200000000 ] - [ 0.0003326100000000, 0.0001442800000000, -0.0001875700000000 ] - [ -0.0002618600000000, -0.0011775200000000, -0.0020316100000000 ] - [ -0.0002074300000000, -0.0002498300000000, 0.0001225100000000 ] - [ 0.0013654500000000, 0.0003210300000000, 0.0001717200000000 ] - [ 0.0001164800000000, -0.0001276200000000, 0.0001173800000000 ] - [ 0.0001181200000000, -0.0000910900000000, -0.0002471800000000 ] - [ -0.0000690300000000, -0.0000183100000000, -0.0001673700000000 ] - [ 0.0002482000000000, -0.0002715500000000, -0.0003735100000000 ] - [ -0.0000594700000000, 0.0005833400000000, -0.0000975800000000 ] - [ -0.0003207900000000, -0.0001561100000000, 0.0004063600000000 ] - [ -0.0003694900000000, 0.0005096900000000, 0.0003456200000000 ] - [ -0.0014675400000000, 0.0001144200000000, 0.0008955500000000 ] - [ 0.0003720400000000, -0.0000648500000000, 0.0012351500000000 ] - [ 0.0000125200000000, -0.0003530300000000, -0.0011511500000000 ] - [ 0.0011167500000000, -0.0003519500000000, 0.0004320500000000 ] - [ 0.0000449700000000, -0.0000031200000000, -0.0002678100000000 ] - [ -0.0002906400000000, 0.0006197400000000, 0.0001969600000000 ] - [ -0.0013508500000000, 0.0001579300000000, 0.0006916500000000 ] - [ 0.0022829300000000, -0.0005550700000000, 0.0004961400000000 ] - [ 0.0015141800000000, 0.0005372300000000, 0.0000051100000000 ] - [ -0.0003326400000000, 0.0001434000000000, 0.0003739200000000 ] - [ -0.0000651700000000, 0.0000013800000000, 0.0004870400000000 ] - [ 0.0002643900000000, -0.0000658700000000, -0.0001131900000000 ] - [ 0.0001827800000000, -0.0002620400000000, 0.0000718100000000 ] - [ 0.0012537500000000, -0.0000502300000000, -0.0004511400000000 ] - [ -0.0002393700000000, 0.0006451100000000, 0.0003405000000000 ] - [ 0.0001780800000000, -0.0000490200000000, -0.0002579100000000 ] - [ -0.0001404700000000, -0.0003395800000000, 0.0000342100000000 ] - [ -0.0002683800000000, 0.0000583300000000, -0.0003038900000000 ] - [ -0.0011538500000000, 0.0001921900000000, -0.0003013900000000 ] - [ 0.0001559400000000, 0.0001202300000000, -0.0003151200000000 ]- atom: 9 displacement: [ -0.0099999639143206, 0.0000000000000000, 0.0000268647033593 ] forces: - [ -0.0012122800000000, 0.0020911500000000, -0.0017209900000000 ] - [ -0.0000853000000000, 0.0002044800000000, -0.0000107300000000 ] - [ 0.0002961900000000, -0.0000965900000000, 0.0000643300000000 ] - [ 0.0003380500000000, -0.0003124500000000, 0.0001177700000000 ] - [ -0.0000034100000000, -0.0003670100000000, -0.0001464800000000 ] - [ -0.0001028200000000, -0.0001317600000000, -0.0001202300000000 ] - [ -0.0001361000000000, 0.0000776300000000, -0.0001084000000000 ] - [ 0.0020448900000000, -0.0001755200000000, -0.0002989200000000 ] - [ 0.0351482300000000, 0.0069635700000000, -0.0100488700000000 ] - [ -0.0000266500000000, 0.0000855000000000, 0.0000548800000000 ] - [ -0.0061525700000000, -0.0038612400000000, 0.0036354100000000 ] - [ 0.0000310100000000, -0.0001664800000000, -0.0001443000000000 ] - [ 0.0004244600000000, -0.0000576100000000, 0.0002484600000000 ] - [ 0.0000261400000000, 0.0000850400000000, 0.0001899800000000 ] - [ -0.0000191600000000, -0.0000746500000000, 0.0000703300000000 ] - [ -0.0005031200000000, -0.0004272400000000, -0.0000041200000000 ] - [ -0.0000648900000000, -0.0003198500000000, -0.0000787700000000 ] - [ -0.0006305000000000, 0.0005363100000000, -0.0003327000000000 ] - [ -0.0004556300000000, 0.0001598800000000, -0.0001137900000000 ] - [ -0.0017580900000000, 0.0002796600000000, -0.0000188000000000 ] - [ 0.0004270100000000, -0.0000676900000000, -0.0000764500000000 ] - [ -0.0000413400000000, 0.0003284500000000, -0.0001027600000000 ] - [ -0.0003807800000000, 0.0000184100000000, 0.0000560100000000 ] - [ -0.0002317700000000, 0.0001288500000000, 0.0001437100000000 ] - [ 0.0013640800000000, -0.0003563900000000, 0.0013394400000000 ] - [ -0.0008184600000000, -0.0003633000000000, 0.0005802700000000 ] - [ -0.0000232000000000, -0.0006218200000000, 0.0003482400000000 ] - [ -0.0004918500000000, -0.0001217400000000, -0.0004669800000000 ] - [ 0.0000031200000000, 0.0001820200000000, -0.0000693800000000 ] - [ -0.0011280800000000, 0.0006489800000000, 0.0028563600000000 ] - [ -0.0000762700000000, 0.0000269200000000, 0.0004777900000000 ] - [ 0.0000385500000000, 0.0001692400000000, -0.0000182800000000 ] - [ -0.0004049800000000, 0.0013723600000000, 0.0001311200000000 ] - [ -0.0002468100000000, 0.0000577500000000, -0.0004722000000000 ] - [ -0.0020816200000000, -0.0000310100000000, -0.0000380600000000 ] - [ 0.0027112400000000, -0.0003030200000000, -0.0013852000000000 ] - [ -0.0006772300000000, -0.0026467500000000, 0.0007467100000000 ] - [ -0.0001246100000000, -0.0006767800000000, -0.0002924900000000 ] - [ 0.0002001400000000, -0.0001861300000000, -0.0002016800000000 ] - [ 0.0002669800000000, -0.0001225900000000, -0.0000535700000000 ] - [ -0.0009638000000000, -0.0001595500000000, -0.0037545300000000 ] - [ -0.0022815500000000, -0.0030058900000000, 0.0092128300000000 ] - [ -0.0001940800000000, -0.0003228100000000, 0.0001311900000000 ] - [ -0.0002972800000000, -0.0002507300000000, -0.0001753500000000 ] - [ -0.0026744400000000, -0.0000696300000000, -0.0003746800000000 ] - [ 0.0000901800000000, 0.0008474600000000, -0.0005851000000000 ] - [ -0.0018512500000000, 0.0029414400000000, -0.0074113800000000 ] - [ 0.0003040400000000, -0.0002575600000000, 0.0005467500000000 ] - [ -0.0029346500000000, 0.0017693800000000, 0.0013452800000000 ] - [ 0.0000460900000000, -0.0002578400000000, 0.0001059200000000 ] - [ 0.0003271600000000, -0.0002080300000000, 0.0006620200000000 ] - [ 0.0006966900000000, -0.0003220900000000, 0.0001178100000000 ] - [ 0.0002734900000000, -0.0002693000000000, -0.0003752700000000 ] - [ -0.0001468400000000, 0.0004646000000000, 0.0000041300000000 ] - [ 0.0002063500000000, -0.0001500600000000, 0.0000252000000000 ] - [ 0.0001460200000000, -0.0002616500000000, -0.0001054300000000 ] - [ 0.0000550400000000, 0.0000221600000000, -0.0001169000000000 ] - [ 0.0000394800000000, -0.0003392800000000, -0.0001003400000000 ] - [ -0.0000025400000000, 0.0004986700000000, 0.0000130600000000 ] - [ -0.0015307900000000, -0.0001904300000000, 0.0001449400000000 ] - [ -0.0059585900000000, 0.0043883000000000, 0.0033845200000000 ] - [ 0.0001447500000000, 0.0000667400000000, 0.0003420300000000 ] - [ -0.0013074600000000, -0.0007113000000000, -0.0002655500000000 ] - [ -0.0018657400000000, -0.0004353900000000, 0.0003627900000000 ] - [ 0.0001143100000000, -0.0000218900000000, -0.0002065500000000 ] - [ -0.0000398000000000, -0.0003557900000000, -0.0007681300000000 ] - [ -0.0001578700000000, 0.0001666500000000, 0.0001171400000000 ] - [ -0.0075168000000000, -0.0053890200000000, -0.0013763000000000 ] - [ -0.0001395900000000, 0.0003500000000000, 0.0001888800000000 ] - [ -0.0004730700000000, -0.0003973000000000, -0.0002162800000000 ] - [ -0.0000937200000000, 0.0000018600000000, 0.0004293100000000 ] - [ 0.0001373500000000, 0.0001964700000000, 0.0000258800000000 ] - [ -0.0006683200000000, -0.0005953000000000, 0.0001280900000000 ] - [ -0.0001568100000000, -0.0000258500000000, 0.0003384700000000 ] - [ 0.0044063900000000, -0.0005521400000000, 0.0001443200000000 ] - [ -0.0001288000000000, -0.0001159100000000, 0.0000144800000000 ] - [ 0.0002540900000000, -0.0002904500000000, -0.0000798900000000 ] - [ 0.0000474500000000, -0.0003319900000000, -0.0001103800000000 ] - [ 0.0012900200000000, 0.0000916100000000, 0.0001870800000000 ] - [ 0.0014608200000000, 0.0002982400000000, -0.0000192700000000 ] - [ 0.0003162700000000, 0.0004067800000000, 0.0000252700000000 ] - [ -0.0002352400000000, 0.0000659600000000, 0.0006243400000000 ] - [ 0.0002372700000000, 0.0001947600000000, 0.0004318000000000 ] - [ -0.0001075200000000, 0.0004056500000000, -0.0001084500000000 ] - [ -0.0007053200000000, -0.0000360500000000, 0.0005880200000000 ] - [ -0.0020824000000000, 0.0011637500000000, 0.0003472600000000 ] - [ 0.0002446600000000, 0.0000686200000000, -0.0001323500000000 ] - [ -0.0002142200000000, 0.0000017200000000, -0.0000699900000000 ] - [ -0.0001998500000000, 0.0000171200000000, 0.0002086600000000 ] - [ 0.0002295500000000, -0.0003665200000000, 0.0000152500000000 ] - [ 0.0004758000000000, -0.0000051100000000, 0.0002602400000000 ] - [ -0.0001525600000000, 0.0005622000000000, 0.0001941300000000 ] - [ -0.0006714600000000, 0.0000514700000000, 0.0002128000000000 ] - [ 0.0003233500000000, -0.0003326000000000, 0.0014743900000000 ] - [ 0.0001336200000000, 0.0002040700000000, 0.0006499900000000 ] - [ 0.0000998200000000, -0.0007733700000000, -0.0001693900000000 ] - [ -0.0008431600000000, 0.0001773200000000, 0.0008626100000000 ] - [ 0.0000566000000000, -0.0006487000000000, -0.0001291100000000 ] - [ -0.0001809800000000, 0.0000290900000000, 0.0001398500000000 ] - [ -0.0004359100000000, 0.0006247100000000, 0.0000992800000000 ] - [ 0.0000960300000000, -0.0012204200000000, 0.0001820400000000 ] - [ -0.0003346400000000, 0.0000028600000000, -0.0003450800000000 ] - [ 0.0010846100000000, 0.0004939200000000, 0.0001503800000000 ] - [ -0.0000807800000000, -0.0001412900000000, -0.0001760000000000 ] - [ 0.0011210200000000, -0.0000501500000000, 0.0002870600000000 ] - [ 0.0030783900000000, -0.0017281400000000, -0.0014576200000000 ] - [ -0.0003110300000000, 0.0000637200000000, -0.0001933300000000 ] - [ -0.0001267700000000, 0.0002329000000000, -0.0004671700000000 ] - [ -0.0004534300000000, 0.0005348900000000, 0.0000271400000000 ] - [ -0.0001235500000000, 0.0002764300000000, 0.0002310700000000 ] - [ -0.0001764900000000, -0.0002659300000000, 0.0003431200000000 ] - [ 0.0002823700000000, -0.0000001800000000, 0.0001329100000000 ] - [ 0.0013136800000000, 0.0005834700000000, -0.0000057600000000 ] - [ 0.0010502900000000, -0.0013853200000000, 0.0003232900000000 ] - [ -0.0028644200000000, 0.0004095100000000, 0.0009672900000000 ] - [ 0.0001533200000000, 0.0000831400000000, -0.0001600400000000 ] - [ 0.0007960600000000, 0.0005607300000000, 0.0004516500000000 ] - [ 0.0006449200000000, 0.0008617100000000, 0.0003195100000000 ] - [ -0.0001103400000000, -0.0003526500000000, -0.0001339400000000 ] - [ 0.0011937900000000, -0.0001049300000000, 0.0002081100000000 ] - [ -0.0012624100000000, 0.0004552900000000, -0.0007812000000000 ] - [ -0.0003241900000000, 0.0000599900000000, 0.0002981900000000 ] - [ -0.0001828800000000, 0.0000012700000000, -0.0001624000000000 ] - [ 0.0000583400000000, 0.0001877400000000, 0.0000555000000000 ] - [ -0.0001014800000000, -0.0004770100000000, -0.0000648500000000 ] - [ -0.0066665400000000, -0.0046004200000000, 0.0011784400000000 ] - [ -0.0000044000000000, 0.0000355900000000, -0.0003538300000000 ] - [ -0.0001925400000000, 0.0000914600000000, -0.0003129100000000 ] - [ 0.0007572600000000, 0.0003524700000000, 0.0001371700000000 ] - [ 0.0005706600000000, 0.0004450200000000, -0.0000787000000000 ] - [ -0.0002543400000000, 0.0000060300000000, -0.0000912200000000 ] - [ -0.0003311000000000, -0.0000270400000000, 0.0002092700000000 ] - [ 0.0001119000000000, 0.0009459900000000, 0.0016411000000000 ] - [ 0.0007387800000000, 0.0007823800000000, -0.0003460600000000 ] - [ -0.0007613800000000, 0.0000016800000000, 0.0000201500000000 ] - [ 0.0013026600000000, 0.0004378000000000, 0.0002538800000000 ] - [ 0.0005824200000000, -0.0000620300000000, 0.0000866000000000 ] - [ 0.0002352000000000, 0.0002999400000000, -0.0018750200000000 ] - [ 0.0000143300000000, 0.0005977100000000, -0.0001921600000000 ] - [ 0.0009752600000000, 0.0006069300000000, -0.0005771900000000 ] - [ -0.0000718500000000, -0.0003998800000000, 0.0001649400000000 ] - [ 0.0029319600000000, 0.0021117800000000, 0.0001820800000000 ] - [ 0.0000241000000000, -0.0001010700000000, -0.0003082600000000 ] - [ -0.0001714700000000, 0.0000697400000000, 0.0004989200000000 ] - [ -0.0029006000000000, 0.0004495500000000, 0.0002266400000000 ] - [ 0.0001268600000000, -0.0000582400000000, -0.0000569400000000 ] - [ -0.0001018200000000, 0.0009802700000000, 0.0024097900000000 ] - [ -0.0007326300000000, -0.0003150100000000, 0.0000065500000000 ] - [ -0.0019403800000000, -0.0010756700000000, -0.0001634600000000 ] - [ 0.0001308900000000, -0.0000085500000000, 0.0001753800000000 ] - [ 0.0001144600000000, -0.0000572700000000, -0.0001862300000000 ] - [ 0.0003019800000000, 0.0001686500000000, -0.0002670200000000 ] - [ 0.0002344700000000, -0.0002313800000000, -0.0004663300000000 ] - [ 0.0004614200000000, 0.0002902700000000, 0.0001503700000000 ] - [ -0.0001373700000000, 0.0000708500000000, -0.0001623900000000 ] - [ 0.0000799200000000, -0.0002863800000000, -0.0000107500000000 ] - [ 0.0017532200000000, -0.0008800900000000, -0.0006631000000000 ] - [ 0.0000970100000000, -0.0000064900000000, -0.0010431600000000 ] - [ 0.0003152300000000, -0.0001963600000000, 0.0005631600000000 ] - [ -0.0008312300000000, 0.0001280400000000, -0.0007682800000000 ] - [ 0.0000884900000000, -0.0000158600000000, -0.0005817600000000 ] - [ 0.0001404200000000, 0.0005684500000000, 0.0001376400000000 ] - [ 0.0011481900000000, 0.0001696400000000, -0.0008079900000000 ] - [ -0.0018910400000000, 0.0006486300000000, -0.0008993200000000 ] - [ -0.0019933600000000, -0.0004434800000000, 0.0002432300000000 ] - [ 0.0000991900000000, 0.0000046700000000, 0.0000575700000000 ] - [ -0.0000681600000000, 0.0000172100000000, 0.0003659700000000 ] - [ 0.0000272500000000, 0.0002889800000000, -0.0002227300000000 ] - [ 0.0000186900000000, -0.0000649300000000, 0.0000487800000000 ] - [ -0.0003104300000000, -0.0005197100000000, 0.0003222000000000 ] - [ -0.0006977900000000, -0.0000773800000000, -0.0002121400000000 ] - [ 0.0003884000000000, -0.0001464300000000, -0.0002044100000000 ] - [ -0.0001766700000000, 0.0004408700000000, -0.0003675000000000 ] - [ -0.0003093700000000, -0.0000858900000000, -0.0002865600000000 ] - [ 0.0015572300000000, -0.0010659000000000, 0.0003511600000000 ] - [ 0.0004094100000000, 0.0000773800000000, -0.0001474800000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0019564600000000, -0.0003074900000000, -0.0014265000000000 ] - [ -0.0000490800000000, 0.0005710800000000, -0.0000472100000000 ] - [ 0.0004240800000000, 0.0001115600000000, -0.0002684800000000 ] - [ 0.0000473000000000, -0.0010420800000000, 0.0001486600000000 ] - [ -0.0000122600000000, 0.0002027200000000, -0.0001243900000000 ] - [ -0.0001081400000000, 0.0002071400000000, -0.0000901300000000 ] - [ -0.0000972800000000, 0.0005411400000000, -0.0000608600000000 ] - [ 0.0010749200000000, 0.0033366800000000, 0.0030538700000000 ] - [ -0.0066547800000000, -0.0325998800000000, 0.0015060300000000 ] - [ -0.0000571700000000, 0.0005051000000000, 0.0000995500000000 ] - [ 0.0044521800000000, -0.0004203700000000, -0.0018378600000000 ] - [ 0.0000035900000000, -0.0006128500000000, 0.0000568000000000 ] - [ 0.0003451700000000, -0.0000312700000000, 0.0002807900000000 ] - [ 0.0000561600000000, -0.0004242100000000, -0.0000174100000000 ] - [ -0.0000459400000000, 0.0003037900000000, 0.0000617600000000 ] - [ 0.0003534600000000, 0.0006476100000000, 0.0001731500000000 ] - [ -0.0000163000000000, 0.0002717600000000, 0.0000990000000000 ] - [ -0.0007923100000000, 0.0003829700000000, -0.0002481500000000 ] - [ -0.0004469500000000, 0.0003427500000000, -0.0001045700000000 ] - [ 0.0001300600000000, -0.0007296900000000, -0.0002385600000000 ] - [ 0.0003387000000000, 0.0008671800000000, -0.0004825200000000 ] - [ -0.0000464000000000, 0.0006405800000000, -0.0001544300000000 ] - [ -0.0003145600000000, -0.0000284400000000, 0.0000928200000000 ] - [ 0.0001169100000000, -0.0004125300000000, 0.0000965300000000 ] - [ 0.0004525700000000, -0.0009256800000000, -0.0042256200000000 ] - [ 0.0003634800000000, -0.0013082200000000, -0.0001628600000000 ] - [ -0.0001611400000000, -0.0005528100000000, 0.0007502100000000 ] - [ -0.0003268900000000, 0.0008170100000000, -0.0003039400000000 ] - [ -0.0002378200000000, 0.0016395100000000, 0.0000954700000000 ] - [ -0.0006980300000000, -0.0009239100000000, 0.0017803500000000 ] - [ 0.0000007500000000, 0.0011355200000000, 0.0002575000000000 ] - [ 0.0000124800000000, 0.0011294300000000, -0.0000757400000000 ] - [ -0.0022151200000000, 0.0025229900000000, 0.0014471800000000 ] - [ -0.0000527200000000, 0.0014641800000000, -0.0003209100000000 ] - [ -0.0003097000000000, -0.0009216900000000, 0.0003705600000000 ] - [ 0.0002202000000000, 0.0019438400000000, 0.0055118300000000 ] - [ 0.0017696600000000, 0.0023674500000000, -0.0007034600000000 ] - [ 0.0000282000000000, 0.0001522200000000, -0.0007204800000000 ] - [ -0.0000361300000000, 0.0008766500000000, 0.0003886800000000 ] - [ 0.0002243400000000, 0.0005639800000000, -0.0003616500000000 ] - [ 0.0002051900000000, -0.0012957600000000, 0.0014963200000000 ] - [ 0.0034796700000000, -0.0041351000000000, -0.0041955000000000 ] - [ 0.0001278100000000, 0.0007767600000000, -0.0002087500000000 ] - [ 0.0001050900000000, 0.0005716100000000, 0.0004636200000000 ] - [ -0.0002280100000000, 0.0005300200000000, 0.0009964200000000 ] - [ -0.0002412100000000, 0.0009097900000000, -0.0009305900000000 ] - [ -0.0027338700000000, -0.0026165200000000, -0.0037397800000000 ] - [ -0.0001108700000000, 0.0014777300000000, -0.0001163000000000 ] - [ -0.0032170900000000, -0.0005634400000000, 0.0009118100000000 ] - [ 0.0003681200000000, 0.0005784400000000, -0.0000236900000000 ] - [ 0.0002406500000000, 0.0000000000000000, -0.0004358300000000 ] - [ -0.0006075000000000, 0.0006944400000000, 0.0006539600000000 ] - [ 0.0003486700000000, 0.0008209100000000, 0.0000966100000000 ] - [ -0.0006629200000000, 0.0008907200000000, -0.0000969200000000 ] - [ 0.0001530000000000, 0.0005052800000000, 0.0000578900000000 ] - [ 0.0000438100000000, -0.0006114700000000, -0.0004951500000000 ] - [ 0.0000598800000000, 0.0012820400000000, -0.0001289600000000 ] - [ 0.0000382300000000, -0.0000845100000000, -0.0001063800000000 ] - [ -0.0002449900000000, 0.0007840000000000, -0.0000517700000000 ] - [ 0.0000545600000000, -0.0014890500000000, 0.0002160700000000 ] - [ -0.0043378900000000, 0.0016893000000000, 0.0008748800000000 ] - [ 0.0003576100000000, 0.0002598300000000, 0.0002478200000000 ] - [ 0.0013377600000000, -0.0006345200000000, 0.0003105300000000 ] - [ -0.0000464100000000, -0.0001904000000000, 0.0000934300000000 ] - [ 0.0000065500000000, -0.0001435000000000, 0.0003324900000000 ] - [ 0.0001733500000000, -0.0005061700000000, -0.0005061300000000 ] - [ -0.0002402500000000, 0.0004716300000000, 0.0001725000000000 ] - [ 0.0051996800000000, 0.0007541000000000, 0.0030227300000000 ] - [ -0.0002984900000000, 0.0007387400000000, 0.0004743700000000 ] - [ 0.0000021300000000, -0.0001134200000000, -0.0000801100000000 ] - [ -0.0001182700000000, 0.0001770700000000, 0.0000829700000000 ] - [ 0.0000872600000000, 0.0009687400000000, -0.0000293700000000 ] - [ 0.0002617800000000, 0.0001688100000000, 0.0000026700000000 ] - [ -0.0004685100000000, 0.0004065000000000, 0.0004866200000000 ] - [ -0.0010850000000000, 0.0131297400000000, -0.0032437000000000 ] - [ 0.0001234400000000, 0.0006809600000000, -0.0002255600000000 ] - [ -0.0000267100000000, 0.0009177400000000, 0.0000390200000000 ] - [ 0.0000325100000000, 0.0004906600000000, -0.0001050700000000 ] - [ -0.0001168100000000, 0.0022527700000000, -0.0011638300000000 ] - [ -0.0001250900000000, -0.0016680600000000, 0.0001592900000000 ] - [ 0.0002163900000000, -0.0001788700000000, 0.0000330000000000 ] - [ 0.0000852600000000, -0.0006848600000000, -0.0001050300000000 ] - [ 0.0001676500000000, -0.0000934500000000, 0.0003835200000000 ] - [ -0.0000709500000000, -0.0003114700000000, -0.0001089300000000 ] - [ 0.0001736900000000, 0.0011251600000000, -0.0002824500000000 ] - [ -0.0003194100000000, -0.0009186700000000, -0.0016962600000000 ] - [ 0.0004001800000000, -0.0005351700000000, -0.0001218800000000 ] - [ -0.0002674400000000, 0.0000598800000000, -0.0000919500000000 ] - [ -0.0001750100000000, -0.0005046400000000, 0.0000560500000000 ] - [ 0.0003405900000000, -0.0010827300000000, 0.0000853500000000 ] - [ 0.0000097700000000, -0.0004120700000000, -0.0000045500000000 ] - [ -0.0001901500000000, -0.0001795500000000, 0.0001138700000000 ] - [ -0.0000605500000000, 0.0003889800000000, -0.0005788600000000 ] - [ 0.0004789200000000, 0.0002834600000000, 0.0009896700000000 ] - [ -0.0003296100000000, -0.0006380500000000, -0.0004075600000000 ] - [ 0.0001864300000000, -0.0010529800000000, -0.0002295100000000 ] - [ 0.0004503700000000, 0.0021478800000000, 0.0005738800000000 ] - [ 0.0001536000000000, -0.0012274100000000, -0.0000668100000000 ] - [ -0.0002289300000000, -0.0002531900000000, 0.0003584100000000 ] - [ -0.0001673700000000, 0.0000901100000000, -0.0003109100000000 ] - [ 0.0010274800000000, 0.0020803400000000, 0.0003591800000000 ] - [ -0.0002511600000000, -0.0002320800000000, -0.0003802600000000 ] - [ 0.0000564600000000, 0.0000377700000000, 0.0006427900000000 ] - [ -0.0007305300000000, -0.0006983600000000, 0.0006712300000000 ] - [ -0.0001319100000000, 0.0010624000000000, 0.0000810400000000 ] - [ 0.0012339600000000, -0.0008512800000000, -0.0006054500000000 ] - [ -0.0002524400000000, -0.0002919700000000, 0.0001479700000000 ] - [ 0.0004974500000000, -0.0003334900000000, -0.0003110000000000 ] - [ 0.0003819900000000, -0.0012963200000000, -0.0000948900000000 ] - [ -0.0001454200000000, -0.0001055400000000, 0.0002507900000000 ] - [ -0.0002519500000000, -0.0009682900000000, 0.0005979300000000 ] - [ 0.0003709800000000, -0.0003778100000000, 0.0000803500000000 ] - [ -0.0001516800000000, 0.0007559900000000, -0.0004672600000000 ] - [ 0.0009476400000000, 0.0001880800000000, -0.0002114700000000 ] - [ -0.0007629100000000, 0.0030611500000000, 0.0012578600000000 ] - [ -0.0000646300000000, -0.0002676100000000, -0.0000208400000000 ] - [ -0.0001501700000000, -0.0005878800000000, -0.0000929400000000 ] - [ -0.0003946700000000, 0.0005459700000000, -0.0002838500000000 ] - [ -0.0001995400000000, -0.0011503700000000, -0.0001567100000000 ] - [ 0.0001109300000000, 0.0008795800000000, -0.0001528500000000 ] - [ -0.0004369000000000, 0.0019070700000000, -0.0000567900000000 ] - [ -0.0003024900000000, -0.0010283500000000, -0.0002869000000000 ] - [ -0.0002123000000000, -0.0008136800000000, -0.0001009500000000 ] - [ 0.0001471600000000, -0.0005178000000000, 0.0000409000000000 ] - [ -0.0000396400000000, -0.0009266200000000, -0.0003129400000000 ] - [ 0.0042092500000000, 0.0070757600000000, -0.0015014300000000 ] - [ 0.0000389900000000, -0.0007707100000000, -0.0001461800000000 ] - [ -0.0001045300000000, -0.0000355500000000, 0.0004850700000000 ] - [ 0.0002814600000000, -0.0003759400000000, -0.0000840800000000 ] - [ 0.0002776700000000, 0.0000259700000000, -0.0000136300000000 ] - [ -0.0002985300000000, -0.0004734600000000, -0.0000189300000000 ] - [ -0.0002794600000000, -0.0001684400000000, -0.0003361100000000 ] - [ -0.0013690100000000, 0.0015694300000000, -0.0011971600000000 ] - [ -0.0000992000000000, 0.0001348500000000, 0.0000789200000000 ] - [ 0.0000823300000000, -0.0003496300000000, 0.0005980800000000 ] - [ 0.0001303100000000, 0.0017096000000000, -0.0002144100000000 ] - [ 0.0006019800000000, -0.0004825400000000, 0.0000027200000000 ] - [ -0.0000343400000000, 0.0004157700000000, 0.0003802100000000 ] - [ 0.0000905400000000, -0.0003198100000000, -0.0001998500000000 ] - [ -0.0009392100000000, 0.0000076600000000, 0.0004312700000000 ] - [ -0.0001460400000000, -0.0013972600000000, 0.0002104400000000 ] - [ -0.0018548700000000, -0.0008971800000000, -0.0009423500000000 ] - [ -0.0000174000000000, -0.0006193000000000, -0.0002860900000000 ] - [ -0.0003076400000000, 0.0002278100000000, 0.0003071300000000 ] - [ -0.0000671600000000, 0.0006832500000000, 0.0025776700000000 ] - [ 0.0001434200000000, -0.0002152600000000, 0.0000895800000000 ] - [ -0.0010289900000000, 0.0028054600000000, -0.0015575600000000 ] - [ -0.0004778300000000, -0.0011219300000000, -0.0003751500000000 ] - [ 0.0005619200000000, 0.0023480700000000, -0.0001261700000000 ] - [ 0.0001189000000000, -0.0004585500000000, 0.0000066600000000 ] - [ 0.0001700100000000, -0.0004781200000000, -0.0003521900000000 ] - [ 0.0000189900000000, -0.0004806400000000, 0.0000244900000000 ] - [ 0.0001540400000000, -0.0005337300000000, -0.0004295200000000 ] - [ 0.0004652100000000, 0.0003687800000000, 0.0002434700000000 ] - [ -0.0002311800000000, 0.0000812000000000, 0.0000917500000000 ] - [ -0.0001014500000000, -0.0001420500000000, -0.0000630800000000 ] - [ 0.0012313000000000, 0.0016033900000000, 0.0000461700000000 ] - [ 0.0002917300000000, 0.0002773500000000, -0.0001639000000000 ] - [ 0.0001050200000000, 0.0003027800000000, -0.0002617900000000 ] - [ -0.0003164100000000, -0.0011118400000000, 0.0003399800000000 ] - [ 0.0000011900000000, 0.0002827100000000, -0.0008374300000000 ] - [ -0.0000306600000000, 0.0004016800000000, 0.0000953500000000 ] - [ -0.0000582600000000, 0.0014056600000000, 0.0000256800000000 ] - [ -0.0000512200000000, 0.0003073800000000, 0.0037308300000000 ] - [ 0.0026364600000000, -0.0033274100000000, -0.0003349400000000 ] - [ -0.0000900400000000, 0.0004668800000000, 0.0001821000000000 ] - [ -0.0000670300000000, -0.0002941900000000, 0.0003784700000000 ] - [ -0.0000735500000000, -0.0003218900000000, 0.0001920500000000 ] - [ 0.0000075000000000, -0.0010679500000000, 0.0001008000000000 ] - [ 0.0011986900000000, -0.0011474100000000, 0.0005194500000000 ] - [ -0.0002387100000000, -0.0000882400000000, -0.0004185000000000 ] - [ 0.0004265400000000, -0.0003327900000000, -0.0001647900000000 ] - [ -0.0002265600000000, -0.0009274200000000, 0.0000819200000000 ] - [ -0.0002670200000000, -0.0007784500000000, -0.0003202000000000 ] - [ 0.0002886300000000, -0.0004090400000000, 0.0003618200000000 ] - [ 0.0004192300000000, -0.0006480500000000, -0.0000242800000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0021374000000000, 0.0000781900000000, 0.0016067300000000 ] - [ -0.0000822600000000, -0.0001266200000000, -0.0000067100000000 ] - [ 0.0001929900000000, -0.0001201200000000, 0.0001242800000000 ] - [ 0.0000444700000000, 0.0003737100000000, 0.0001281600000000 ] - [ -0.0000794400000000, -0.0008694000000000, -0.0001530700000000 ] - [ -0.0000820500000000, -0.0004242900000000, -0.0000970100000000 ] - [ -0.0000927900000000, -0.0003221000000000, -0.0001262500000000 ] - [ -0.0002110300000000, -0.0030177000000000, -0.0028652700000000 ] - [ 0.0068412000000000, 0.0322237700000000, -0.0015806100000000 ] - [ -0.0000023200000000, -0.0003948900000000, 0.0000171400000000 ] - [ -0.0043455300000000, 0.0010617000000000, 0.0021059700000000 ] - [ 0.0001276700000000, 0.0001670800000000, -0.0000022500000000 ] - [ 0.0005252200000000, -0.0003083900000000, -0.0000593300000000 ] - [ 0.0000039900000000, 0.0005318300000000, -0.0000993600000000 ] - [ -0.0000142800000000, -0.0004126000000000, 0.0000554600000000 ] - [ -0.0009682000000000, -0.0006546700000000, -0.0000290600000000 ] - [ -0.0001161200000000, -0.0007149100000000, -0.0001534000000000 ] - [ -0.0000742900000000, -0.0007211000000000, 0.0000273600000000 ] - [ -0.0004239400000000, -0.0000036800000000, -0.0001162700000000 ] - [ 0.0000012400000000, 0.0011712100000000, 0.0002911800000000 ] - [ 0.0002804200000000, -0.0008549700000000, 0.0003356600000000 ] - [ -0.0000455200000000, 0.0000272000000000, -0.0001229400000000 ] - [ -0.0003033900000000, 0.0000391700000000, 0.0000519000000000 ] - [ 0.0000732600000000, 0.0006297400000000, 0.0000903300000000 ] - [ 0.0000570000000000, 0.0005924200000000, 0.0051143400000000 ] - [ -0.0002783000000000, 0.0008250100000000, 0.0004440300000000 ] - [ -0.0002286100000000, -0.0004696500000000, -0.0000837800000000 ] - [ -0.0001823600000000, -0.0011392500000000, -0.0005997100000000 ] - [ 0.0001520600000000, -0.0011587300000000, -0.0003747600000000 ] - [ 0.0008778500000000, 0.0012446300000000, -0.0026263800000000 ] - [ -0.0001823800000000, -0.0008156800000000, 0.0005991500000000 ] - [ 0.0001002600000000, -0.0007572200000000, 0.0001500500000000 ] - [ 0.0018074100000000, -0.0014873100000000, -0.0007688900000000 ] - [ -0.0004553600000000, -0.0011371000000000, -0.0005825200000000 ] - [ 0.0001968500000000, 0.0005456300000000, -0.0004460400000000 ] - [ -0.0000377800000000, -0.0022524400000000, -0.0063232000000000 ] - [ -0.0014057600000000, -0.0021702500000000, 0.0006019300000000 ] - [ 0.0003598300000000, -0.0011782600000000, 0.0000513100000000 ] - [ -0.0000478100000000, -0.0013529900000000, -0.0006729800000000 ] - [ 0.0001512000000000, -0.0007491000000000, 0.0002594100000000 ] - [ -0.0003153400000000, 0.0016684500000000, -0.0015583200000000 ] - [ -0.0029587700000000, 0.0044789600000000, 0.0050773900000000 ] - [ -0.0000145800000000, -0.0011431900000000, 0.0002836600000000 ] - [ -0.0004798700000000, -0.0003869700000000, -0.0003607900000000 ] - [ -0.0001485800000000, -0.0007078000000000, -0.0008903100000000 ] - [ 0.0006333100000000, 0.0001192300000000, 0.0002640900000000 ] - [ 0.0028119200000000, 0.0031097700000000, 0.0040030000000000 ] - [ -0.0000718400000000, -0.0017959800000000, 0.0009770800000000 ] - [ 0.0028878400000000, 0.0000740000000000, -0.0009534900000000 ] - [ -0.0003039100000000, -0.0001980500000000, 0.0001864100000000 ] - [ 0.0001987900000000, 0.0000796400000000, -0.0002621800000000 ] - [ 0.0009025700000000, -0.0008405100000000, -0.0001104300000000 ] - [ 0.0000621600000000, -0.0001448600000000, -0.0003247600000000 ] - [ 0.0002477100000000, -0.0002168200000000, 0.0003254000000000 ] - [ 0.0001783700000000, -0.0009822800000000, -0.0000096400000000 ] - [ 0.0002475800000000, -0.0001601300000000, 0.0000351800000000 ] - [ -0.0000323800000000, -0.0006742800000000, -0.0000852300000000 ] - [ 0.0003742200000000, -0.0005903000000000, -0.0001219100000000 ] - [ 0.0001841500000000, -0.0004003800000000, -0.0001104000000000 ] - [ -0.0000823000000000, 0.0008806000000000, -0.0000008400000000 ] - [ 0.0040560600000000, -0.0015312500000000, -0.0014255800000000 ] - [ -0.0000650300000000, -0.0001168700000000, 0.0002975500000000 ] - [ -0.0013674500000000, 0.0012319500000000, -0.0000937600000000 ] - [ -0.0003662600000000, -0.0004803100000000, 0.0001361100000000 ] - [ -0.0002988800000000, 0.0000000000000000, -0.0008755600000000 ] - [ 0.0000816100000000, 0.0002465900000000, 0.0003675500000000 ] - [ -0.0000167500000000, -0.0002085400000000, -0.0000331800000000 ] - [ -0.0049227500000000, 0.0000368300000000, -0.0034888400000000 ] - [ 0.0000072400000000, 0.0000315700000000, -0.0000147700000000 ] - [ 0.0002517300000000, 0.0003706900000000, -0.0000590100000000 ] - [ -0.0003173300000000, -0.0002544800000000, 0.0006163600000000 ] - [ 0.0002428900000000, -0.0004881200000000, 0.0000773700000000 ] - [ -0.0005512900000000, -0.0009362100000000, 0.0004546700000000 ] - [ 0.0000313200000000, -0.0003281500000000, 0.0002111500000000 ] - [ 0.0015497600000000, -0.0129185500000000, 0.0024718400000000 ] - [ -0.0003790000000000, -0.0009392700000000, 0.0003623000000000 ] - [ -0.0000350600000000, -0.0012960300000000, -0.0002012500000000 ] - [ -0.0000039100000000, -0.0010946200000000, -0.0001095600000000 ] - [ 0.0001807700000000, -0.0026278000000000, 0.0013464900000000 ] - [ -0.0002046400000000, 0.0021483900000000, -0.0002015300000000 ] - [ 0.0003044000000000, 0.0009651000000000, 0.0000273600000000 ] - [ -0.0002192400000000, 0.0006680700000000, 0.0009592000000000 ] - [ -0.0007300500000000, -0.0000995600000000, 0.0000802500000000 ] - [ -0.0002221400000000, 0.0010650600000000, -0.0001344500000000 ] - [ -0.0000943700000000, -0.0012061600000000, 0.0009451800000000 ] - [ 0.0008035500000000, 0.0011435800000000, 0.0018914900000000 ] - [ 0.0000600500000000, 0.0004480100000000, -0.0001225300000000 ] - [ -0.0002775600000000, 0.0000232400000000, -0.0001137800000000 ] - [ -0.0002083300000000, 0.0004262400000000, 0.0003252900000000 ] - [ 0.0001793500000000, 0.0002939900000000, -0.0000255400000000 ] - [ 0.0002365000000000, 0.0005461200000000, 0.0002958200000000 ] - [ -0.0000633000000000, 0.0012514600000000, 0.0002368100000000 ] - [ -0.0004203500000000, 0.0001166700000000, 0.0014146300000000 ] - [ 0.0000974800000000, -0.0003131000000000, -0.0003992900000000 ] - [ 0.0001820100000000, -0.0005570300000000, 0.0007420800000000 ] - [ 0.0000382100000000, -0.0000561100000000, -0.0001372500000000 ] - [ -0.0001567700000000, -0.0013859100000000, -0.0003330800000000 ] - [ -0.0000025800000000, 0.0000369000000000, -0.0002682000000000 ] - [ -0.0001540600000000, 0.0003292400000000, 0.0000226800000000 ] - [ -0.0002343500000000, 0.0007841400000000, 0.0002614100000000 ] - [ -0.0008452300000000, -0.0020952100000000, -0.0012020200000000 ] - [ -0.0003253900000000, 0.0002594100000000, -0.0002078600000000 ] - [ 0.0005209700000000, -0.0000067900000000, -0.0000532100000000 ] - [ 0.0005025800000000, -0.0004090100000000, -0.0003027600000000 ] - [ 0.0003844100000000, -0.0021296500000000, -0.0004299400000000 ] - [ -0.0014864700000000, 0.0009545900000000, 0.0008057300000000 ] - [ -0.0002159800000000, 0.0003623200000000, -0.0003409200000000 ] - [ -0.0000160500000000, 0.0008367800000000, -0.0005289700000000 ] - [ -0.0001148400000000, 0.0011882300000000, -0.0001111700000000 ] - [ -0.0001820400000000, 0.0006520900000000, 0.0003382000000000 ] - [ -0.0000763600000000, 0.0004176200000000, -0.0000064800000000 ] - [ 0.0001757600000000, 0.0002947600000000, 0.0001252600000000 ] - [ 0.0004785700000000, -0.0002050700000000, -0.0001218100000000 ] - [ -0.0008685200000000, -0.0001004200000000, 0.0008690200000000 ] - [ 0.0003582800000000, -0.0036034400000000, -0.0004924000000000 ] - [ 0.0003270600000000, 0.0003796200000000, -0.0001830200000000 ] - [ 0.0006963600000000, 0.0006676000000000, 0.0002977200000000 ] - [ 0.0007102000000000, -0.0004394400000000, 0.0006145000000000 ] - [ -0.0000944500000000, 0.0003932800000000, -0.0000872800000000 ] - [ 0.0002058300000000, -0.0009801500000000, 0.0004846300000000 ] - [ -0.0000844200000000, -0.0011155300000000, -0.0000065000000000 ] - [ 0.0000117400000000, 0.0008047200000000, 0.0006198400000000 ] - [ -0.0001051600000000, 0.0007103300000000, -0.0002321600000000 ] - [ 0.0000561300000000, 0.0008453300000000, 0.0000800000000000 ] - [ -0.0003620900000000, 0.0000500800000000, 0.0002599800000000 ] - [ -0.0047386700000000, -0.0074269500000000, 0.0012929100000000 ] - [ -0.0001181500000000, 0.0006915400000000, -0.0005159600000000 ] - [ -0.0001431500000000, 0.0001725700000000, -0.0007749600000000 ] - [ 0.0006706900000000, 0.0005263900000000, 0.0002095900000000 ] - [ 0.0006621300000000, 0.0005421600000000, -0.0001137900000000 ] - [ -0.0001712700000000, 0.0004013800000000, -0.0001731200000000 ] - [ 0.0000169400000000, 0.0000569800000000, 0.0005376700000000 ] - [ 0.0011670000000000, -0.0018839400000000, 0.0010776800000000 ] - [ 0.0002494400000000, 0.0010511900000000, -0.0004140100000000 ] - [ -0.0010318200000000, 0.0005013100000000, -0.0007220300000000 ] - [ 0.0001231100000000, -0.0006319600000000, -0.0001370800000000 ] - [ 0.0003500600000000, 0.0003296900000000, 0.0001232400000000 ] - [ 0.0004171300000000, -0.0004920000000000, -0.0007610600000000 ] - [ 0.0001344800000000, 0.0014264800000000, -0.0001672400000000 ] - [ -0.0000135100000000, -0.0001611400000000, -0.0005549500000000 ] - [ -0.0001062200000000, 0.0003218000000000, 0.0001402000000000 ] - [ 0.0012993400000000, 0.0008043200000000, 0.0007329200000000 ] - [ -0.0000622700000000, 0.0006962000000000, -0.0003771000000000 ] - [ -0.0002587900000000, -0.0000327600000000, 0.0001553200000000 ] - [ -0.0001604700000000, 0.0003903800000000, -0.0021909300000000 ] - [ 0.0003152300000000, 0.0002997900000000, -0.0003344700000000 ] - [ 0.0007784800000000, -0.0029695200000000, 0.0019852600000000 ] - [ -0.0004626000000000, 0.0005517600000000, 0.0004998400000000 ] - [ -0.0011007400000000, -0.0031050400000000, 0.0001045100000000 ] - [ 0.0001276900000000, 0.0003217600000000, 0.0002841100000000 ] - [ 0.0000620200000000, 0.0003293500000000, -0.0000807700000000 ] - [ 0.0002125400000000, 0.0006269400000000, -0.0004564000000000 ] - [ 0.0003292300000000, 0.0000305200000000, -0.0004093900000000 ] - [ -0.0000596100000000, 0.0005078200000000, -0.0001917700000000 ] - [ -0.0002299400000000, -0.0001688300000000, 0.0001534800000000 ] - [ -0.0001902200000000, 0.0003603400000000, 0.0003957500000000 ] - [ -0.0009390500000000, -0.0023531500000000, 0.0001991100000000 ] - [ 0.0001779100000000, -0.0003480900000000, 0.0003536400000000 ] - [ 0.0002225300000000, -0.0008498500000000, -0.0003292200000000 ] - [ 0.0006068400000000, 0.0008858600000000, -0.0006781100000000 ] - [ 0.0001321500000000, -0.0002996600000000, -0.0000164600000000 ] - [ -0.0001193800000000, 0.0007898900000000, 0.0002394800000000 ] - [ -0.0001433300000000, -0.0010732300000000, -0.0001466000000000 ] - [ 0.0004404300000000, -0.0001073000000000, -0.0041286700000000 ] - [ -0.0030760200000000, 0.0033734300000000, 0.0005799800000000 ] - [ -0.0001427600000000, -0.0003154100000000, 0.0002524300000000 ] - [ -0.0000661000000000, 0.0003124500000000, 0.0004716000000000 ] - [ 0.0003619300000000, 0.0005441200000000, -0.0005258200000000 ] - [ 0.0001964300000000, 0.0007374900000000, 0.0000192400000000 ] - [ -0.0002587500000000, 0.0005755500000000, -0.0006521200000000 ] - [ -0.0007030600000000, 0.0006534000000000, 0.0005477200000000 ] - [ 0.0001402700000000, 0.0001352500000000, -0.0002973300000000 ] - [ -0.0000885400000000, 0.0010249600000000, -0.0004147200000000 ] - [ -0.0003094100000000, 0.0007470300000000, -0.0002694200000000 ] - [ 0.0001154500000000, -0.0004684000000000, -0.0003089600000000 ] - [ 0.0001501700000000, 0.0008423200000000, -0.0004365000000000 ]- atom: 9 displacement: [ -0.0035230240541542, 0.0000000000000000, 0.0093588621911988 ] forces: - [ 0.0011677900000000, -0.0007201300000000, -0.0004136800000000 ] - [ -0.0000602100000000, 0.0002315300000000, 0.0000524100000000 ] - [ 0.0001482300000000, -0.0001999700000000, 0.0002138700000000 ] - [ 0.0001846000000000, -0.0003411900000000, 0.0011497100000000 ] - [ -0.0000256900000000, -0.0003388800000000, -0.0002546300000000 ] - [ -0.0000639000000000, -0.0000843700000000, 0.0000289800000000 ] - [ -0.0001168200000000, 0.0001106700000000, -0.0001894600000000 ] - [ 0.0015083000000000, 0.0028183300000000, 0.0003834100000000 ] - [ 0.0217059900000000, 0.0038492400000000, -0.0224708600000000 ] - [ -0.0000232700000000, 0.0001020500000000, -0.0000419500000000 ] - [ -0.0056033800000000, -0.0029987200000000, 0.0006272000000000 ] - [ 0.0002591400000000, -0.0003426500000000, 0.0004783900000000 ] - [ 0.0003327200000000, 0.0000704000000000, 0.0004152400000000 ] - [ -0.0002040500000000, 0.0000255800000000, 0.0006578700000000 ] - [ -0.0000347500000000, -0.0000626100000000, 0.0001460300000000 ] - [ -0.0003227400000000, -0.0000805900000000, -0.0002796800000000 ] - [ -0.0000602600000000, -0.0001800400000000, -0.0001314100000000 ] - [ -0.0004020900000000, 0.0000619800000000, -0.0005836900000000 ] - [ -0.0004411600000000, 0.0001764400000000, 0.0000693900000000 ] - [ -0.0006008800000000, 0.0000837800000000, -0.0006547800000000 ] - [ 0.0003780200000000, -0.0003353100000000, -0.0001689100000000 ] - [ -0.0000724400000000, 0.0003353900000000, -0.0000120500000000 ] - [ -0.0003574300000000, 0.0000385200000000, 0.0004286600000000 ] - [ -0.0000521500000000, 0.0000145400000000, 0.0005526700000000 ] - [ 0.0001819000000000, -0.0027172500000000, 0.0037453000000000 ] - [ -0.0004658200000000, -0.0008742600000000, 0.0009692100000000 ] - [ -0.0001457400000000, 0.0001427300000000, 0.0016644100000000 ] - [ -0.0003850300000000, 0.0001548400000000, -0.0002558200000000 ] - [ -0.0001008100000000, 0.0003519400000000, -0.0001382200000000 ] - [ -0.0020717200000000, 0.0013598800000000, 0.0031778300000000 ] - [ -0.0001479000000000, -0.0001197400000000, 0.0005659400000000 ] - [ 0.0000962600000000, 0.0000771100000000, 0.0000705900000000 ] - [ -0.0001013500000000, 0.0014035300000000, -0.0008843400000000 ] - [ -0.0001959100000000, 0.0002740600000000, -0.0005876100000000 ] - [ -0.0011268000000000, 0.0006823900000000, -0.0000462700000000 ] - [ 0.0019286700000000, 0.0045296900000000, 0.0007250800000000 ] - [ -0.0007240500000000, -0.0013425900000000, -0.0009152500000000 ] - [ 0.0000523100000000, -0.0008706500000000, -0.0006519800000000 ] - [ 0.0000803600000000, 0.0002082900000000, -0.0000378900000000 ] - [ 0.0002757200000000, -0.0004262800000000, 0.0005492600000000 ] - [ 0.0013977400000000, 0.0009184200000000, 0.0008780300000000 ] - [ -0.0081487000000000, -0.0050961600000000, 0.0089338200000000 ] - [ -0.0000356000000000, -0.0004128000000000, 0.0000241800000000 ] - [ 0.0000120400000000, 0.0005826900000000, 0.0005272600000000 ] - [ -0.0012405900000000, 0.0006596200000000, -0.0002963700000000 ] - [ 0.0007214100000000, 0.0001479800000000, 0.0003795500000000 ] - [ 0.0054720600000000, -0.0017023100000000, -0.0002030300000000 ] - [ 0.0000311900000000, -0.0011618900000000, 0.0001899400000000 ] - [ -0.0052625000000000, 0.0024498300000000, 0.0010197700000000 ] - [ -0.0001414200000000, -0.0005644300000000, 0.0001412500000000 ] - [ 0.0000967800000000, -0.0006126500000000, 0.0017753200000000 ] - [ 0.0003300000000000, -0.0001428200000000, -0.0003616300000000 ] - [ 0.0003207700000000, 0.0007379000000000, 0.0000731900000000 ] - [ 0.0001697700000000, -0.0001527400000000, 0.0002378300000000 ] - [ 0.0001936900000000, -0.0003320000000000, 0.0000059800000000 ] - [ 0.0004199500000000, -0.0000076900000000, 0.0007596100000000 ] - [ -0.0000031300000000, 0.0000992800000000, -0.0001157100000000 ] - [ 0.0001718900000000, -0.0000099400000000, -0.0002805800000000 ] - [ -0.0002693100000000, 0.0007706700000000, -0.0000216600000000 ] - [ -0.0006706000000000, -0.0001036400000000, 0.0002042100000000 ] - [ -0.0059509800000000, 0.0029664900000000, -0.0039054500000000 ] - [ 0.0001068700000000, 0.0000175400000000, 0.0005668400000000 ] - [ 0.0020333600000000, 0.0011748900000000, -0.0003064600000000 ] - [ -0.0009271600000000, -0.0009012700000000, -0.0000474400000000 ] - [ 0.0002545200000000, -0.0000230800000000, 0.0008804500000000 ] - [ 0.0003600600000000, -0.0000283800000000, 0.0010999800000000 ] - [ -0.0000530500000000, 0.0000989900000000, 0.0004538700000000 ] - [ -0.0016319200000000, 0.0015655600000000, -0.0054916500000000 ] - [ -0.0000813800000000, 0.0004642000000000, 0.0004613400000000 ] - [ -0.0002437100000000, -0.0000162800000000, -0.0009996200000000 ] - [ -0.0002309600000000, -0.0001786100000000, 0.0008176200000000 ] - [ 0.0001492200000000, 0.0002255400000000, 0.0000342800000000 ] - [ -0.0003634800000000, -0.0003068000000000, -0.0001305900000000 ] - [ -0.0002084600000000, -0.0000621400000000, 0.0000581300000000 ] - [ 0.0013281300000000, -0.0029056600000000, -0.0063026800000000 ] - [ -0.0001816000000000, -0.0001496700000000, -0.0002148800000000 ] - [ 0.0000200200000000, 0.0000639000000000, -0.0001015000000000 ] - [ 0.0000226800000000, -0.0003254600000000, -0.0001042500000000 ] - [ 0.0004148700000000, -0.0045581900000000, 0.0002156300000000 ] - [ 0.0004638000000000, 0.0009845500000000, 0.0013968400000000 ] - [ 0.0002506300000000, 0.0003790000000000, 0.0000368900000000 ] - [ -0.0001589400000000, -0.0001765800000000, 0.0009023100000000 ] - [ 0.0000725900000000, 0.0000534100000000, 0.0007903000000000 ] - [ -0.0001030000000000, 0.0003535500000000, -0.0001344200000000 ] - [ -0.0004357900000000, -0.0010256000000000, -0.0006569800000000 ] - [ -0.0001595400000000, -0.0000120800000000, 0.0041918300000000 ] - [ 0.0001785900000000, 0.0000581900000000, 0.0000487700000000 ] - [ -0.0004761900000000, -0.0000091000000000, -0.0005630200000000 ] - [ -0.0002338300000000, -0.0000008200000000, 0.0005080900000000 ] - [ 0.0001687900000000, -0.0003088700000000, 0.0000162500000000 ] - [ 0.0003029600000000, -0.0001831300000000, 0.0003778400000000 ] - [ -0.0001913900000000, 0.0004948200000000, 0.0001553600000000 ] - [ -0.0005338300000000, -0.0002746200000000, -0.0007377200000000 ] - [ -0.0002096200000000, 0.0001603200000000, -0.0007577600000000 ] - [ -0.0002835500000000, -0.0010529000000000, 0.0001214300000000 ] - [ 0.0001730400000000, -0.0010107600000000, -0.0001979600000000 ] - [ -0.0004949600000000, 0.0003948500000000, -0.0010434300000000 ] - [ 0.0000003800000000, -0.0001890000000000, -0.0003344100000000 ] - [ -0.0001340300000000, 0.0000761000000000, -0.0002512000000000 ] - [ -0.0002085800000000, 0.0002023400000000, -0.0002472500000000 ] - [ 0.0001305600000000, -0.0000898500000000, 0.0047541500000000 ] - [ -0.0003296100000000, -0.0000958300000000, -0.0006957600000000 ] - [ 0.0008632300000000, 0.0004894300000000, 0.0007359400000000 ] - [ 0.0003996100000000, 0.0001263500000000, -0.0002710000000000 ] - [ -0.0006815800000000, -0.0003961500000000, 0.0001208500000000 ] - [ 0.0025107500000000, -0.0013709500000000, 0.0004571200000000 ] - [ -0.0003093000000000, 0.0002059900000000, -0.0004322000000000 ] - [ 0.0001478000000000, 0.0003050400000000, -0.0000394800000000 ] - [ -0.0002096200000000, 0.0002303800000000, 0.0005230200000000 ] - [ -0.0001391200000000, 0.0002413500000000, 0.0000780300000000 ] - [ -0.0001855500000000, -0.0002989900000000, 0.0004493900000000 ] - [ 0.0001713800000000, -0.0000530100000000, -0.0001392600000000 ] - [ 0.0007645200000000, 0.0002632500000000, 0.0007611200000000 ] - [ 0.0016979200000000, -0.0024022600000000, 0.0006788200000000 ] - [ -0.0014690300000000, 0.0009239100000000, 0.0050088800000000 ] - [ 0.0002206400000000, 0.0001264700000000, -0.0003386000000000 ] - [ 0.0005920500000000, 0.0001217300000000, 0.0005724600000000 ] - [ -0.0004068100000000, -0.0009061400000000, 0.0002627400000000 ] - [ -0.0001772100000000, -0.0003284700000000, -0.0001015800000000 ] - [ 0.0004721100000000, -0.0003528700000000, 0.0000401900000000 ] - [ -0.0002435400000000, 0.0003715700000000, -0.0015183700000000 ] - [ -0.0002846900000000, -0.0005472800000000, 0.0002792900000000 ] - [ -0.0001784900000000, -0.0000119200000000, -0.0002046800000000 ] - [ 0.0001150800000000, 0.0001383800000000, 0.0000124700000000 ] - [ -0.0002274500000000, -0.0005831000000000, 0.0000864900000000 ] - [ -0.0036657800000000, -0.0032661100000000, 0.0045330300000000 ] - [ -0.0000108300000000, -0.0000157500000000, -0.0003427800000000 ] - [ -0.0002676700000000, 0.0003327600000000, -0.0012700400000000 ] - [ 0.0003419100000000, -0.0002145700000000, -0.0000279200000000 ] - [ 0.0007532200000000, 0.0006816100000000, -0.0000612700000000 ] - [ -0.0001906800000000, 0.0000400100000000, 0.0000535300000000 ] - [ -0.0003402100000000, -0.0002814500000000, -0.0003953700000000 ] - [ -0.0022320500000000, -0.0011341900000000, -0.0013479600000000 ] - [ 0.0003438200000000, 0.0011199400000000, 0.0000363900000000 ] - [ -0.0010357300000000, 0.0007062000000000, -0.0004287300000000 ] - [ 0.0003031900000000, 0.0007592600000000, -0.0003459400000000 ] - [ 0.0005595200000000, -0.0002420000000000, 0.0001216300000000 ] - [ 0.0006843400000000, 0.0005099100000000, -0.0029323500000000 ] - [ 0.0000889300000000, 0.0003247800000000, -0.0001735100000000 ] - [ 0.0008178300000000, 0.0008708300000000, -0.0000028700000000 ] - [ -0.0000612700000000, -0.0004473900000000, 0.0001740300000000 ] - [ 0.0009090900000000, -0.0002079000000000, 0.0012515600000000 ] - [ -0.0001252500000000, 0.0002032000000000, -0.0003092300000000 ] - [ -0.0006174500000000, 0.0001374600000000, -0.0004024000000000 ] - [ -0.0013953800000000, 0.0035699200000000, -0.0014224800000000 ] - [ 0.0002983900000000, 0.0002067200000000, -0.0004367700000000 ] - [ -0.0012013300000000, -0.0009397100000000, 0.0036337600000000 ] - [ -0.0004851100000000, -0.0007153900000000, 0.0001832300000000 ] - [ -0.0007123400000000, -0.0008496700000000, 0.0018187300000000 ] - [ 0.0000519700000000, -0.0001801600000000, -0.0000366200000000 ] - [ 0.0001080700000000, -0.0001092600000000, -0.0004171700000000 ] - [ 0.0001573700000000, 0.0000133000000000, 0.0000700000000000 ] - [ 0.0002517600000000, -0.0002350100000000, -0.0006079000000000 ] - [ 0.0000938100000000, 0.0006639900000000, -0.0000181800000000 ] - [ 0.0002618400000000, 0.0002510500000000, -0.0007464700000000 ] - [ 0.0001146500000000, -0.0003797400000000, -0.0000365300000000 ] - [ 0.0028853100000000, -0.0006192400000000, -0.0002995300000000 ] - [ 0.0002167300000000, 0.0000056100000000, -0.0018323300000000 ] - [ -0.0000512300000000, -0.0004902900000000, -0.0012098000000000 ] - [ 0.0008767900000000, 0.0017550900000000, -0.0000759000000000 ] - [ 0.0000639700000000, 0.0001397600000000, -0.0016132900000000 ] - [ 0.0000066300000000, 0.0000807600000000, 0.0000500500000000 ] - [ 0.0007212500000000, 0.0003602600000000, -0.0006263400000000 ] - [ -0.0003874600000000, 0.0022767500000000, 0.0021041500000000 ] - [ -0.0014459400000000, 0.0004832000000000, 0.0017499300000000 ] - [ -0.0000220400000000, -0.0002597900000000, -0.0007008100000000 ] - [ -0.0000305700000000, 0.0000008900000000, 0.0001430100000000 ] - [ 0.0001236900000000, 0.0006235300000000, -0.0003642000000000 ] - [ 0.0001377000000000, -0.0000076200000000, 0.0001095200000000 ] - [ -0.0009077900000000, 0.0013544300000000, -0.0000156300000000 ] - [ -0.0004029900000000, -0.0003676000000000, -0.0004412500000000 ] - [ 0.0000993400000000, -0.0000187600000000, -0.0005872100000000 ] - [ -0.0000901900000000, 0.0003854100000000, -0.0001639200000000 ] - [ -0.0002718600000000, -0.0000899200000000, 0.0000013100000000 ] - [ 0.0002920200000000, -0.0002028900000000, 0.0001192100000000 ] - [ 0.0003806900000000, 0.0001405400000000, 0.0000302900000000 ]- atom: 9 displacement: [ 0.0035230240541542, 0.0000000000000000, -0.0093588621911988 ] forces: - [ -0.0009722400000000, 0.0004995400000000, 0.0006095900000000 ] - [ -0.0000673600000000, 0.0002082500000000, -0.0001076900000000 ] - [ 0.0004687000000000, 0.0001888000000000, -0.0003598500000000 ] - [ -0.0000908000000000, -0.0003235700000000, -0.0008664300000000 ] - [ -0.0000667300000000, -0.0003258500000000, -0.0000251700000000 ] - [ -0.0001262100000000, -0.0001295300000000, -0.0002137300000000 ] - [ -0.0000729700000000, 0.0001028600000000, 0.0000041900000000 ] - [ -0.0006476300000000, -0.0024897700000000, -0.0001543300000000 ] - [ -0.0216196900000000, -0.0037857100000000, 0.0222184700000000 ] - [ -0.0000359100000000, 0.0000019200000000, 0.0001558400000000 ] - [ 0.0057489700000000, 0.0036996600000000, -0.0003360300000000 ] - [ -0.0001323000000000, -0.0000963700000000, -0.0004227300000000 ] - [ 0.0005351300000000, -0.0004052100000000, -0.0001979500000000 ] - [ 0.0002638500000000, 0.0000800500000000, -0.0007722400000000 ] - [ -0.0000244100000000, -0.0000415500000000, -0.0000323200000000 ] - [ -0.0002968300000000, 0.0000696300000000, 0.0004245800000000 ] - [ -0.0000675600000000, -0.0002597500000000, 0.0000766300000000 ] - [ -0.0004663700000000, -0.0003963800000000, 0.0003653300000000 ] - [ -0.0004266400000000, 0.0001597800000000, -0.0002868000000000 ] - [ 0.0007285600000000, 0.0003540000000000, 0.0007079500000000 ] - [ 0.0002393400000000, 0.0003431900000000, 0.0000251200000000 ] - [ -0.0000195500000000, 0.0003289600000000, -0.0002673900000000 ] - [ -0.0002594400000000, -0.0000294600000000, -0.0002826100000000 ] - [ 0.0002405100000000, 0.0001986800000000, -0.0003684800000000 ] - [ 0.0003391700000000, 0.0024253700000000, -0.0028279400000000 ] - [ 0.0005382300000000, 0.0004021700000000, -0.0006795000000000 ] - [ -0.0002277200000000, -0.0011751800000000, -0.0010010600000000 ] - [ -0.0001385900000000, -0.0004756100000000, -0.0006621400000000 ] - [ 0.0000314500000000, 0.0001216600000000, -0.0001509700000000 ] - [ 0.0022732200000000, -0.0010589100000000, -0.0040493800000000 ] - [ -0.0000387100000000, 0.0004335700000000, 0.0003068000000000 ] - [ 0.0000205400000000, 0.0002985000000000, 0.0000180800000000 ] - [ -0.0002648400000000, -0.0003792400000000, 0.0015418600000000 ] - [ -0.0003292200000000, 0.0000459700000000, -0.0003326100000000 ] - [ 0.0010055300000000, -0.0010536200000000, -0.0000434800000000 ] - [ -0.0017295000000000, -0.0048165200000000, -0.0016033200000000 ] - [ 0.0011234600000000, 0.0015382000000000, 0.0008196600000000 ] - [ 0.0003199800000000, -0.0001538000000000, -0.0000108200000000 ] - [ -0.0001510400000000, -0.0006836300000000, -0.0002481600000000 ] - [ 0.0001215900000000, 0.0002444300000000, -0.0006339100000000 ] - [ -0.0015241600000000, -0.0005466000000000, -0.0009476100000000 ] - [ 0.0085718400000000, 0.0053471900000000, -0.0079298200000000 ] - [ 0.0001527500000000, 0.0000379800000000, 0.0000615700000000 ] - [ -0.0004112600000000, -0.0003966600000000, -0.0004421400000000 ] - [ 0.0008476100000000, -0.0008406200000000, 0.0003892900000000 ] - [ -0.0003490900000000, 0.0008752700000000, -0.0010438700000000 ] - [ -0.0053849500000000, 0.0021742300000000, 0.0004647700000000 ] - [ -0.0002179300000000, 0.0008466600000000, 0.0006784200000000 ] - [ 0.0049387600000000, -0.0029051300000000, -0.0010464900000000 ] - [ 0.0002114500000000, 0.0009627600000000, 0.0000282600000000 ] - [ 0.0003534100000000, 0.0006789000000000, -0.0024633800000000 ] - [ -0.0000381500000000, 0.0000106800000000, 0.0009059200000000 ] - [ 0.0000974200000000, -0.0000749900000000, -0.0003112100000000 ] - [ -0.0005903100000000, 0.0008142000000000, 0.0000019800000000 ] - [ 0.0001222900000000, -0.0001446200000000, 0.0000475300000000 ] - [ -0.0001208200000000, -0.0007707300000000, -0.0012142500000000 ] - [ 0.0000361200000000, 0.0005130300000000, -0.0001006300000000 ] - [ 0.0002487800000000, -0.0006500500000000, 0.0000403600000000 ] - [ 0.0001994500000000, -0.0003762800000000, -0.0001464000000000 ] - [ 0.0006442300000000, -0.0005106100000000, 0.0000125000000000 ] - [ 0.0056778900000000, -0.0028489000000000, 0.0033874600000000 ] - [ 0.0001868400000000, 0.0001158700000000, -0.0000237700000000 ] - [ -0.0020625900000000, -0.0005608700000000, 0.0005186500000000 ] - [ 0.0005045200000000, 0.0002365300000000, 0.0002851800000000 ] - [ -0.0005456800000000, -0.0001085600000000, -0.0014238800000000 ] - [ -0.0001076200000000, -0.0002307300000000, -0.0012414900000000 ] - [ -0.0002001600000000, 0.0001602300000000, -0.0003114200000000 ] - [ 0.0019671200000000, -0.0007658100000000, 0.0050360400000000 ] - [ -0.0002199800000000, 0.0003166100000000, -0.0000056900000000 ] - [ 0.0004983800000000, 0.0002778300000000, 0.0008579900000000 ] - [ -0.0002189800000000, 0.0001089800000000, -0.0001224200000000 ] - [ 0.0001666300000000, 0.0002508300000000, 0.0000195800000000 ] - [ 0.0000650200000000, -0.0004716800000000, 0.0005851300000000 ] - [ -0.0002418900000000, 0.0001305700000000, 0.0006346800000000 ] - [ -0.0008742300000000, 0.0027861400000000, 0.0056321200000000 ] - [ -0.0000717900000000, -0.0001104900000000, 0.0003564100000000 ] - [ -0.0000911200000000, -0.0004606100000000, -0.0000677000000000 ] - [ 0.0000100900000000, -0.0002866200000000, -0.0001119600000000 ] - [ -0.0003435700000000, 0.0041497000000000, -0.0000426400000000 ] - [ -0.0007922100000000, -0.0005144500000000, -0.0014649300000000 ] - [ 0.0002238900000000, 0.0004230300000000, 0.0000282000000000 ] - [ 0.0000275500000000, 0.0001578100000000, -0.0000714200000000 ] - [ -0.0006266200000000, -0.0002253200000000, -0.0003165400000000 ] - [ -0.0001694000000000, 0.0004228000000000, -0.0001087300000000 ] - [ 0.0005107000000000, 0.0009108600000000, 0.0013245900000000 ] - [ 0.0006442300000000, 0.0000959900000000, -0.0039709000000000 ] - [ 0.0003100300000000, -0.0001645700000000, -0.0003017300000000 ] - [ -0.0000841600000000, 0.0000943600000000, 0.0003557900000000 ] - [ -0.0001573800000000, -0.0000682800000000, -0.0000946700000000 ] - [ 0.0003055300000000, -0.0004927500000000, 0.0000493200000000 ] - [ -0.0000750000000000, 0.0003203200000000, -0.0000987200000000 ] - [ -0.0000853100000000, 0.0005910000000000, 0.0001924600000000 ] - [ 0.0000514800000000, 0.0007833200000000, 0.0015733300000000 ] - [ 0.0007788800000000, -0.0001872700000000, 0.0013310100000000 ] - [ 0.0001333100000000, -0.0001279000000000, 0.0002135600000000 ] - [ 0.0000453700000000, -0.0001122800000000, -0.0001701300000000 ] - [ 0.0007727700000000, 0.0003807700000000, 0.0012935900000000 ] - [ 0.0001515200000000, -0.0009891700000000, -0.0000048100000000 ] - [ -0.0002570400000000, -0.0000077400000000, 0.0006635900000000 ] - [ -0.0001768000000000, 0.0006639600000000, 0.0001867900000000 ] - [ 0.0000041800000000, 0.0001041100000000, -0.0056034300000000 ] - [ -0.0002417300000000, 0.0001251800000000, 0.0001224500000000 ] - [ -0.0002943600000000, -0.0004633200000000, -0.0001639100000000 ] - [ -0.0006195800000000, -0.0012560800000000, 0.0006387600000000 ] - [ 0.0009537300000000, -0.0006864600000000, -0.0004659900000000 ] - [ -0.0027470800000000, 0.0014607100000000, -0.0002663500000000 ] - [ -0.0001750900000000, -0.0001343800000000, 0.0002178300000000 ] - [ 0.0003336000000000, 0.0002050700000000, -0.0007955600000000 ] - [ 0.0004480300000000, -0.0003230900000000, -0.0007172100000000 ] - [ -0.0001934400000000, 0.0003022700000000, 0.0005086400000000 ] - [ -0.0001477000000000, -0.0002455000000000, 0.0001371100000000 ] - [ 0.0003952200000000, -0.0000370400000000, 0.0003465700000000 ] - [ -0.0004331600000000, 0.0002776800000000, -0.0013451400000000 ] - [ -0.0016271300000000, 0.0025181100000000, -0.0000177400000000 ] - [ 0.0012146400000000, -0.0016125700000000, -0.0043894300000000 ] - [ 0.0000152400000000, -0.0000377300000000, 0.0001445400000000 ] - [ -0.0000283500000000, -0.0000344300000000, -0.0003669900000000 ] - [ 0.0007313700000000, 0.0010413000000000, 0.0000718700000000 ] - [ -0.0000955500000000, -0.0004471800000000, -0.0001413100000000 ] - [ -0.0001488000000000, 0.0002139200000000, 0.0002896300000000 ] - [ -0.0002294100000000, 0.0004318400000000, 0.0014662000000000 ] - [ 0.0000094600000000, 0.0003067400000000, 0.0000546800000000 ] - [ -0.0001473900000000, -0.0001287300000000, -0.0001283800000000 ] - [ 0.0001031400000000, 0.0001930100000000, 0.0001046900000000 ] - [ -0.0001592000000000, -0.0002828800000000, -0.0001450900000000 ] - [ 0.0033322500000000, 0.0030223700000000, -0.0048062100000000 ] - [ -0.0000588200000000, -0.0001051700000000, -0.0003208500000000 ] - [ 0.0000373600000000, -0.0001973700000000, 0.0009873100000000 ] - [ 0.0006010500000000, 0.0003568700000000, 0.0001500100000000 ] - [ 0.0002125000000000, -0.0000954100000000, -0.0000710000000000 ] - [ -0.0002944600000000, -0.0001111200000000, -0.0002699400000000 ] - [ 0.0001033300000000, 0.0001910800000000, 0.0005891100000000 ] - [ 0.0020058300000000, 0.0008003500000000, 0.0012351000000000 ] - [ -0.0001927500000000, 0.0000592400000000, -0.0003727900000000 ] - [ 0.0000962800000000, -0.0005661400000000, 0.0003034000000000 ] - [ -0.0000291200000000, 0.0003267000000000, -0.0000053500000000 ] - [ 0.0003837400000000, 0.0000981700000000, 0.0000021800000000 ] - [ -0.0002904200000000, -0.0005743700000000, 0.0025045800000000 ] - [ 0.0001300400000000, 0.0008027700000000, -0.0001940000000000 ] - [ -0.0017496800000000, -0.0010041500000000, -0.0001149400000000 ] - [ -0.0002149100000000, -0.0006387300000000, 0.0001747400000000 ] - [ -0.0014880300000000, 0.0001098200000000, -0.0014622700000000 ] - [ 0.0000561000000000, -0.0000794300000000, -0.0003534900000000 ] - [ 0.0000653700000000, 0.0000357500000000, 0.0008763700000000 ] - [ 0.0011625500000000, -0.0024704600000000, 0.0018452100000000 ] - [ 0.0001890600000000, -0.0001006800000000, 0.0001843700000000 ] - [ 0.0009461000000000, 0.0007937600000000, -0.0032303400000000 ] - [ -0.0004806600000000, 0.0001275600000000, -0.0000495900000000 ] - [ 0.0000834600000000, 0.0001733300000000, -0.0016584500000000 ] - [ 0.0001769800000000, 0.0000421900000000, 0.0003175000000000 ] - [ 0.0001237100000000, -0.0000233600000000, -0.0000070800000000 ] - [ 0.0000740800000000, 0.0001188500000000, -0.0004930800000000 ] - [ 0.0002299400000000, -0.0002756400000000, -0.0002278000000000 ] - [ 0.0002921300000000, 0.0002020900000000, 0.0000763000000000 ] - [ -0.0007478100000000, -0.0003539100000000, 0.0009980700000000 ] - [ -0.0003932100000000, 0.0006199600000000, 0.0003665600000000 ] - [ -0.0026022500000000, -0.0001646200000000, 0.0005388300000000 ] - [ 0.0002694400000000, -0.0000739200000000, 0.0020451600000000 ] - [ 0.0003831200000000, -0.0000503300000000, 0.0006227500000000 ] - [ -0.0005972300000000, -0.0019880900000000, -0.0002531200000000 ] - [ 0.0000675200000000, -0.0001589000000000, 0.0007788700000000 ] - [ -0.0001572600000000, 0.0010952300000000, 0.0002886300000000 ] - [ -0.0009436300000000, -0.0000285200000000, 0.0005101700000000 ] - [ 0.0007918800000000, -0.0021499400000000, -0.0025821300000000 ] - [ 0.0009500400000000, -0.0003697900000000, -0.0014971400000000 ] - [ -0.0002103400000000, 0.0003938200000000, 0.0011269200000000 ] - [ -0.0001015000000000, 0.0000180200000000, 0.0006885800000000 ] - [ 0.0001523200000000, -0.0003848700000000, 0.0000310400000000 ] - [ 0.0000803000000000, -0.0003240400000000, 0.0000080800000000 ] - [ 0.0018679200000000, -0.0019348800000000, -0.0001148600000000 ] - [ -0.0005616600000000, 0.0009562800000000, 0.0005725200000000 ] - [ 0.0004533300000000, -0.0001517500000000, 0.0001148700000000 ] - [ -0.0002345300000000, -0.0002478600000000, -0.0001665300000000 ] - [ -0.0003005300000000, 0.0000629400000000, -0.0005755800000000 ] - [ 0.0000944800000000, -0.0006621000000000, -0.0000576700000000 ] - [ 0.0001722800000000, 0.0000341600000000, -0.0005032500000000 ]- atom: 25 displacement: [ 0.0099999639143206, 0.0000000000000000, -0.0000268647033593 ] forces: - [ 0.0081571700000000, 0.0014769600000000, -0.0075077600000000 ] - [ -0.0002950900000000, 0.0002266600000000, -0.0000193100000000 ] - [ 0.0002640200000000, -0.0001105500000000, -0.0001487200000000 ] - [ 0.0010081200000000, -0.0006795100000000, -0.0000144600000000 ] - [ -0.0002958100000000, -0.0003284100000000, -0.0001247200000000 ] - [ -0.0000571500000000, -0.0001521700000000, -0.0000644000000000 ] - [ 0.0001128300000000, 0.0001793500000000, -0.0000222100000000 ] - [ -0.0000889200000000, 0.0004891300000000, -0.0001547300000000 ] - [ -0.0010864300000000, 0.0001590700000000, -0.0005786000000000 ] - [ -0.0000301300000000, 0.0002612600000000, 0.0001283600000000 ] - [ 0.0027477900000000, -0.0023961800000000, 0.0074800400000000 ] - [ 0.0062972500000000, 0.0006270600000000, 0.0051431000000000 ] - [ 0.0001700200000000, 0.0001290700000000, -0.0007094000000000 ] - [ 0.0025528200000000, -0.0031875700000000, -0.0080851100000000 ] - [ 0.0002148500000000, 0.0000145000000000, 0.0000157400000000 ] - [ -0.0004495400000000, 0.0001894800000000, 0.0008880900000000 ] - [ -0.0000551900000000, -0.0002410400000000, -0.0000877900000000 ] - [ -0.0004154100000000, -0.0002670300000000, -0.0000071800000000 ] - [ 0.0016339900000000, 0.0003604900000000, -0.0002444600000000 ] - [ 0.0005633300000000, -0.0000203700000000, 0.0001126600000000 ] - [ -0.0031771300000000, -0.0023083100000000, -0.0008855500000000 ] - [ -0.0000865800000000, 0.0005252300000000, -0.0002219700000000 ] - [ 0.0001645600000000, -0.0000211900000000, 0.0000163800000000 ] - [ -0.0004100500000000, 0.0000962500000000, 0.0002887800000000 ] - [ -0.1611825400000000, -0.0109261700000000, 0.0026636200000000 ] - [ 0.0258454700000000, -0.0017465500000000, 0.0001915400000000 ] - [ -0.0016128300000000, 0.0006662100000000, 0.0014404700000000 ] - [ 0.0003372500000000, 0.0000785100000000, -0.0005253100000000 ] - [ -0.0000066400000000, 0.0002530500000000, -0.0009128100000000 ] - [ 0.0014919600000000, -0.0055397600000000, -0.0000253300000000 ] - [ -0.0001614000000000, 0.0076657400000000, -0.0003103600000000 ] - [ 0.0005239300000000, -0.0044767200000000, -0.0011435300000000 ] - [ 0.0011790100000000, -0.0000138500000000, -0.0010986800000000 ] - [ -0.0002629500000000, 0.0001843200000000, 0.0003015700000000 ] - [ 0.0000680200000000, -0.0000919800000000, 0.0006368200000000 ] - [ 0.0003129000000000, -0.0001091900000000, -0.0015501700000000 ] - [ 0.0002368700000000, 0.0005239900000000, -0.0003865400000000 ] - [ 0.0080502500000000, -0.0001478200000000, 0.0002827100000000 ] - [ -0.0006444900000000, 0.0000724700000000, -0.0001845300000000 ] - [ -0.0146854900000000, -0.0086851800000000, 0.0066129600000000 ] - [ 0.0090298900000000, 0.0090205900000000, -0.0014185000000000 ] - [ 0.0003136200000000, -0.0000390900000000, -0.0007743800000000 ] - [ 0.0000553900000000, -0.0000800500000000, 0.0001186200000000 ] - [ 0.0007331500000000, 0.0000876500000000, 0.0014839800000000 ] - [ 0.0012292900000000, -0.0002830400000000, 0.0001237800000000 ] - [ 0.0002598200000000, 0.0009083100000000, 0.0001309900000000 ] - [ -0.0000387400000000, 0.0000402800000000, 0.0011989800000000 ] - [ -0.0001086400000000, -0.0000843800000000, 0.0004066000000000 ] - [ -0.0000721800000000, -0.0001682700000000, -0.0003449100000000 ] - [ 0.0118893700000000, 0.0383774600000000, 0.0001430200000000 ] - [ -0.0008938200000000, -0.0008247900000000, -0.0012657800000000 ] - [ -0.0000350300000000, 0.0000313900000000, 0.0002588600000000 ] - [ 0.0003175200000000, 0.0013086900000000, 0.0003018400000000 ] - [ 0.0280000700000000, -0.0154533200000000, 0.0011060100000000 ] - [ 0.0001895400000000, -0.0001341100000000, 0.0000600200000000 ] - [ -0.0044554100000000, -0.0000278700000000, -0.0000035500000000 ] - [ 0.0000108400000000, 0.0004007500000000, -0.0001301300000000 ] - [ 0.0002249000000000, -0.0003458500000000, -0.0000344000000000 ] - [ -0.0003404300000000, 0.0000290700000000, -0.0000924700000000 ] - [ 0.0060450800000000, -0.0012739400000000, -0.0005578100000000 ] - [ 0.0006930700000000, -0.0004165900000000, 0.0005436400000000 ] - [ 0.0001983400000000, 0.0002925600000000, -0.0006937200000000 ] - [ -0.0000387300000000, 0.0003159800000000, 0.0003288300000000 ] - [ -0.0002116900000000, -0.0003676700000000, 0.0001197400000000 ] - [ 0.0014676100000000, 0.0011758200000000, -0.0028502400000000 ] - [ -0.0002307800000000, 0.0013980300000000, 0.0017746200000000 ] - [ -0.0002585600000000, 0.0003214400000000, 0.0001015100000000 ] - [ 0.0007542300000000, 0.0023290500000000, -0.0024418300000000 ] - [ 0.0004735300000000, 0.0000791000000000, 0.0011638100000000 ] - [ 0.0016437000000000, 0.0007894400000000, 0.0027729300000000 ] - [ -0.0000183700000000, 0.0000739800000000, 0.0003048800000000 ] - [ 0.0011427600000000, 0.0003395200000000, -0.0000128400000000 ] - [ 0.0001012500000000, -0.0002656400000000, 0.0002590600000000 ] - [ -0.0002589600000000, 0.0005285300000000, 0.0016117900000000 ] - [ -0.0016017000000000, 0.0004803900000000, -0.0032516500000000 ] - [ -0.0005300800000000, -0.0004753100000000, -0.0004633900000000 ] - [ -0.0001307500000000, -0.0002140000000000, -0.0001417400000000 ] - [ -0.0008947000000000, -0.0006151700000000, -0.0000325900000000 ] - [ 0.0000294000000000, -0.0002784500000000, 0.0000682500000000 ] - [ -0.0343761600000000, 0.0163350000000000, 0.0038799000000000 ] - [ -0.0009271500000000, -0.0002515500000000, -0.0001745800000000 ] - [ 0.0000698000000000, -0.0000943200000000, 0.0004081400000000 ] - [ -0.0020538900000000, -0.0011751000000000, -0.0007888600000000 ] - [ -0.0011579900000000, 0.0004582000000000, 0.0000678000000000 ] - [ 0.0067235500000000, -0.0068057300000000, -0.0012244200000000 ] - [ 0.0017557200000000, -0.0002989200000000, 0.0016327600000000 ] - [ -0.0006088000000000, -0.0005905300000000, -0.0008723200000000 ] - [ 0.0037808900000000, -0.0004951900000000, -0.0017777500000000 ] - [ -0.0000499800000000, -0.0003221200000000, -0.0008465700000000 ] - [ 0.0002128400000000, -0.0004696400000000, -0.0000069500000000 ] - [ -0.0000865300000000, 0.0000305800000000, 0.0000950200000000 ] - [ 0.0007664200000000, 0.0007057900000000, 0.0000539000000000 ] - [ -0.0011124700000000, -0.0001787200000000, 0.0019605700000000 ] - [ 0.0000825800000000, -0.0002348600000000, -0.0010112600000000 ] - [ -0.0004466300000000, -0.0025050300000000, 0.0004027300000000 ] - [ 0.0002199200000000, -0.0005178000000000, -0.0001770600000000 ] - [ 0.0315278700000000, 0.0056324500000000, 0.0010815700000000 ] - [ -0.0051167300000000, 0.0129757500000000, -0.0038801800000000 ] - [ -0.0003475200000000, -0.0000327300000000, 0.0002883600000000 ] - [ 0.0000991600000000, 0.0000091200000000, -0.0001140300000000 ] - [ 0.0000713300000000, 0.0002450800000000, -0.0014030700000000 ] - [ -0.0000658400000000, -0.0002482300000000, -0.0002598100000000 ] - [ -0.0040571100000000, -0.0006597100000000, -0.0032517700000000 ] - [ 0.0414343200000000, -0.0022420500000000, 0.0005834300000000 ] - [ 0.0001779300000000, -0.0004598400000000, -0.0004396300000000 ] - [ -0.0009131500000000, 0.0006437900000000, -0.0001008400000000 ] - [ -0.0003436800000000, -0.0000120900000000, -0.0001078400000000 ] - [ 0.0003686500000000, 0.0001962500000000, -0.0004101200000000 ] - [ 0.0002639700000000, -0.0001950800000000, -0.0000532400000000 ] - [ -0.0000692900000000, 0.0001474900000000, 0.0002366800000000 ] - [ -0.0000435200000000, 0.0000063400000000, 0.0007321900000000 ] - [ 0.0001797500000000, 0.0005618300000000, -0.0008610800000000 ] - [ -0.0006231500000000, 0.0004190500000000, -0.0017236300000000 ] - [ -0.0001801300000000, -0.0000476800000000, 0.0006962400000000 ] - [ 0.0000690800000000, 0.0012397600000000, -0.0007333300000000 ] - [ 0.0021094600000000, -0.0003613600000000, 0.0009685800000000 ] - [ 0.0000538700000000, -0.0001441700000000, 0.0000827600000000 ] - [ 0.0001293200000000, 0.0000028000000000, -0.0001181900000000 ] - [ -0.0001522700000000, -0.0004778500000000, -0.0002037800000000 ] - [ -0.0030359600000000, 0.0013726300000000, 0.0004572900000000 ] - [ 0.0224547100000000, 0.0038943300000000, -0.0001111200000000 ] - [ -0.0001270400000000, -0.0001872600000000, 0.0000325200000000 ] - [ 0.0020996400000000, 0.0003372700000000, 0.0001001900000000 ] - [ 0.0013668500000000, -0.0006024700000000, 0.0001345200000000 ] - [ -0.0002586600000000, -0.0003591000000000, 0.0001546200000000 ] - [ 0.0000895500000000, -0.0005459500000000, 0.0011000000000000 ] - [ -0.0019037600000000, -0.0002960700000000, 0.0000319400000000 ] - [ 0.0096614800000000, -0.0002475700000000, -0.0010748400000000 ] - [ -0.0001112400000000, -0.0003903100000000, -0.0000329500000000 ] - [ -0.0098223900000000, -0.0110253500000000, -0.0012434600000000 ] - [ 0.0000940600000000, -0.0008933700000000, -0.0014707200000000 ] - [ -0.0019778800000000, -0.0008521700000000, 0.0006597300000000 ] - [ -0.0001819500000000, -0.0000971000000000, -0.0000944000000000 ] - [ 0.0000237800000000, 0.0005698900000000, -0.0001401500000000 ] - [ 0.0248383500000000, -0.0065944500000000, -0.0010926000000000 ] - [ -0.0064628900000000, 0.0011773800000000, -0.0001421300000000 ] - [ 0.0004325000000000, -0.0000663600000000, -0.0002011400000000 ] - [ 0.0002771800000000, 0.0005333700000000, 0.0007673500000000 ] - [ 0.0001350500000000, 0.0005707400000000, -0.0001887900000000 ] - [ -0.0004557000000000, -0.0000167000000000, 0.0001076300000000 ] - [ -0.0001386800000000, -0.0006245700000000, 0.0002039300000000 ] - [ -0.0012754400000000, -0.0009807900000000, 0.0003190700000000 ] - [ -0.0000471800000000, -0.0000789400000000, -0.0004340700000000 ] - [ -0.0000132800000000, -0.0007456800000000, -0.0002660700000000 ] - [ -0.0001137100000000, 0.0006323800000000, 0.0002524000000000 ] - [ 0.0000107000000000, -0.0000848000000000, -0.0001114400000000 ] - [ -0.0011332800000000, -0.0025016600000000, 0.0029542400000000 ] - [ -0.0004243400000000, -0.0002571000000000, 0.0004854400000000 ] - [ -0.0002312800000000, -0.0003579500000000, 0.0004011100000000 ] - [ -0.0003359200000000, -0.0000597100000000, -0.0004668300000000 ] - [ -0.0001020900000000, 0.0005639200000000, -0.0008952000000000 ] - [ 0.0000141900000000, -0.0000348900000000, -0.0002174900000000 ] - [ 0.0001599600000000, -0.0007189500000000, 0.0007411200000000 ] - [ -0.0162197100000000, -0.0004465200000000, 0.0023787100000000 ] - [ 0.0010344300000000, 0.0006863300000000, -0.0000463900000000 ] - [ -0.0003200900000000, 0.0006875300000000, 0.0001647700000000 ] - [ 0.0000087900000000, -0.0003554800000000, 0.0002730600000000 ] - [ 0.0001185700000000, 0.0012090900000000, 0.0011499300000000 ] - [ -0.0012544700000000, -0.0022602400000000, -0.0020133400000000 ] - [ 0.0001782100000000, -0.0001091600000000, -0.0000145400000000 ] - [ -0.0040716000000000, -0.0001734600000000, 0.0033475400000000 ] - [ 0.0000718400000000, 0.0005387600000000, -0.0001660000000000 ] - [ -0.0056523100000000, 0.0042142100000000, -0.0003458400000000 ] - [ 0.0118403800000000, 0.0002500600000000, -0.0052535100000000 ] - [ 0.0004930800000000, 0.0002794900000000, 0.0019817000000000 ] - [ 0.0013837100000000, -0.0000899900000000, 0.0008357500000000 ] - [ -0.0001515500000000, -0.0002142900000000, 0.0014432200000000 ] - [ 0.0098539300000000, -0.0158104600000000, 0.0015394700000000 ] - [ 0.0001221700000000, -0.0002308600000000, 0.0000982200000000 ] - [ 0.0004403800000000, -0.0002689900000000, -0.0002152200000000 ] - [ 0.0002711600000000, 0.0004691500000000, 0.0002287700000000 ] - [ 0.0004337800000000, -0.0002890400000000, -0.0004411100000000 ] - [ -0.0001490200000000, -0.0000399600000000, -0.0001092500000000 ] - [ -0.0000721000000000, 0.0001481700000000, 0.0003363200000000 ] - [ 0.0002029700000000, -0.0003589500000000, -0.0001614300000000 ] - [ -0.0010447300000000, 0.0006332200000000, 0.0005780700000000 ]- atom: 25 displacement: [ -0.0099999639143206, 0.0000000000000000, 0.0000268647033593 ] forces: - [ -0.0080078600000000, -0.0017129600000000, 0.0077826800000000 ] - [ 0.0001674400000000, 0.0002144100000000, -0.0000367100000000 ] - [ 0.0003533100000000, 0.0001023600000000, 0.0000051500000000 ] - [ -0.0009155600000000, 0.0000084900000000, 0.0002890600000000 ] - [ 0.0002031200000000, -0.0003351400000000, -0.0001540700000000 ] - [ -0.0001324000000000, -0.0000583200000000, -0.0001216600000000 ] - [ -0.0003018600000000, 0.0000363800000000, -0.0001610900000000 ] - [ 0.0009588700000000, -0.0001470500000000, 0.0003684800000000 ] - [ 0.0011492500000000, -0.0002463500000000, 0.0004498500000000 ] - [ -0.0000288400000000, -0.0001552500000000, -0.0000142000000000 ] - [ -0.0026802900000000, 0.0030367900000000, -0.0071414200000000 ] - [ -0.0062048700000000, -0.0010881800000000, -0.0051389500000000 ] - [ 0.0006924300000000, -0.0004672900000000, 0.0009269800000000 ] - [ -0.0025199800000000, 0.0032609100000000, 0.0079189900000000 ] - [ -0.0002738100000000, -0.0001160100000000, 0.0000959300000000 ] - [ -0.0001796400000000, -0.0002038600000000, -0.0007398300000000 ] - [ -0.0000724400000000, -0.0001958700000000, 0.0000336400000000 ] - [ -0.0004534100000000, -0.0000671400000000, -0.0002108000000000 ] - [ -0.0025013700000000, -0.0000159500000000, 0.0000170200000000 ] - [ -0.0004349600000000, 0.0004561900000000, -0.0000549700000000 ] - [ 0.0038125000000000, 0.0022892900000000, 0.0007453000000000 ] - [ -0.0000061600000000, 0.0001417500000000, -0.0000581800000000 ] - [ -0.0007830200000000, 0.0000309400000000, 0.0001276000000000 ] - [ 0.0006008600000000, 0.0001194600000000, -0.0000978800000000 ] - [ 0.1610107900000000, 0.0096518600000000, -0.0014054500000000 ] - [ -0.0256085700000000, 0.0012662000000000, 0.0000948700000000 ] - [ 0.0012438000000000, -0.0016674400000000, -0.0007638600000000 ] - [ -0.0008638200000000, -0.0003875500000000, -0.0003949400000000 ] - [ -0.0000617700000000, 0.0002192800000000, 0.0006224700000000 ] - [ -0.0013719100000000, 0.0058496600000000, -0.0008643300000000 ] - [ -0.0000386500000000, -0.0073326400000000, 0.0011796500000000 ] - [ -0.0004026100000000, 0.0048795600000000, 0.0012359400000000 ] - [ -0.0015153500000000, 0.0010206500000000, 0.0017611200000000 ] - [ -0.0002632200000000, 0.0001360500000000, -0.0012205600000000 ] - [ -0.0001795000000000, -0.0002880300000000, -0.0007044600000000 ] - [ -0.0001217600000000, -0.0002107600000000, 0.0006294900000000 ] - [ 0.0001619500000000, -0.0003355900000000, 0.0003005300000000 ] - [ -0.0076689000000000, -0.0008438500000000, -0.0009097500000000 ] - [ 0.0005751800000000, -0.0005343700000000, -0.0001040800000000 ] - [ 0.0151800600000000, 0.0084494500000000, -0.0067232900000000 ] - [ -0.0090929400000000, -0.0086716600000000, 0.0013159300000000 ] - [ 0.0002122200000000, 0.0003604900000000, 0.0016923300000000 ] - [ 0.0000619000000000, -0.0002900000000000, -0.0000301200000000 ] - [ -0.0011239000000000, 0.0000938000000000, -0.0014079600000000 ] - [ -0.0016267100000000, 0.0000974900000000, -0.0000352000000000 ] - [ 0.0001137700000000, 0.0001205700000000, -0.0007927600000000 ] - [ 0.0001063600000000, 0.0004336300000000, -0.0009142100000000 ] - [ -0.0000777400000000, -0.0002247300000000, 0.0004640800000000 ] - [ -0.0002378500000000, -0.0003100400000000, 0.0002901000000000 ] - [ -0.0117726200000000, -0.0374553200000000, 0.0000185700000000 ] - [ 0.0013359300000000, 0.0008913600000000, 0.0005812900000000 ] - [ 0.0003275000000000, -0.0001632600000000, 0.0002844500000000 ] - [ 0.0001061800000000, -0.0006409500000000, -0.0005389000000000 ] - [ -0.0285902700000000, 0.0163416700000000, -0.0008988200000000 ] - [ 0.0001268500000000, -0.0003384100000000, -0.0000059600000000 ] - [ 0.0048317800000000, -0.0007793700000000, -0.0003717100000000 ] - [ 0.0000221300000000, 0.0002141800000000, -0.0000862900000000 ] - [ 0.0001974700000000, -0.0003175400000000, -0.0002029900000000 ] - [ 0.0002644000000000, 0.0003741100000000, -0.0000761300000000 ] - [ -0.0060550400000000, 0.0006249500000000, 0.0007709700000000 ] - [ -0.0009987200000000, 0.0005523900000000, -0.0010932900000000 ] - [ 0.0000916200000000, -0.0001589000000000, 0.0012289800000000 ] - [ 0.0000030000000000, 0.0002927800000000, -0.0001138200000000 ] - [ -0.0002084200000000, -0.0002920700000000, 0.0001206500000000 ] - [ -0.0017626500000000, -0.0013003300000000, 0.0022576100000000 ] - [ 0.0004877900000000, -0.0016624600000000, -0.0019169500000000 ] - [ 0.0000035900000000, -0.0000569800000000, 0.0000432800000000 ] - [ -0.0004506100000000, -0.0015472000000000, 0.0019884900000000 ] - [ -0.0007741900000000, 0.0007014400000000, -0.0007142300000000 ] - [ -0.0013834300000000, -0.0005326200000000, -0.0028714600000000 ] - [ -0.0004298600000000, -0.0001410500000000, 0.0003878900000000 ] - [ -0.0008312900000000, 0.0001524000000000, 0.0000658400000000 ] - [ -0.0004002900000000, -0.0005121900000000, 0.0001949500000000 ] - [ -0.0002029100000000, -0.0004524800000000, -0.0009128400000000 ] - [ 0.0021056300000000, -0.0006221100000000, 0.0023532200000000 ] - [ 0.0002844500000000, 0.0002222900000000, 0.0006133400000000 ] - [ 0.0000573000000000, -0.0001877200000000, -0.0000291400000000 ] - [ 0.0009280800000000, 0.0000094700000000, -0.0001833100000000 ] - [ 0.0000420600000000, -0.0001147400000000, 0.0001000900000000 ] - [ 0.0342344400000000, -0.0157072000000000, -0.0039201200000000 ] - [ 0.0014061700000000, 0.0010464000000000, 0.0002405700000000 ] - [ -0.0002012500000000, 0.0000726300000000, 0.0004240600000000 ] - [ 0.0014878400000000, 0.0009961400000000, 0.0012415900000000 ] - [ 0.0008878200000000, 0.0003078400000000, -0.0003102100000000 ] - [ -0.0066922900000000, 0.0066298300000000, 0.0018896100000000 ] - [ -0.0012463500000000, 0.0003783300000000, -0.0013209800000000 ] - [ 0.0011094100000000, 0.0004717100000000, 0.0006073500000000 ] - [ -0.0043978500000000, 0.0005969600000000, 0.0015700600000000 ] - [ -0.0003376800000000, 0.0002504200000000, 0.0012529400000000 ] - [ 0.0002616200000000, -0.0003347900000000, 0.0000726100000000 ] - [ 0.0003150600000000, 0.0001046400000000, 0.0001846100000000 ] - [ -0.0010465000000000, 0.0003727200000000, 0.0002936100000000 ] - [ 0.0006330300000000, 0.0006903200000000, -0.0010981600000000 ] - [ 0.0004861300000000, 0.0002090100000000, 0.0015836300000000 ] - [ 0.0002904700000000, 0.0013153200000000, -0.0000624100000000 ] - [ 0.0000011400000000, -0.0006134400000000, -0.0001906800000000 ] - [ -0.0321984100000000, -0.0059231300000000, -0.0009961900000000 ] - [ 0.0052654300000000, -0.0142026900000000, 0.0035537100000000 ] - [ -0.0000438400000000, 0.0000977200000000, 0.0001268700000000 ] - [ -0.0004872600000000, 0.0008511800000000, 0.0000552200000000 ] - [ 0.0000650500000000, -0.0002256000000000, 0.0005760000000000 ] - [ -0.0005041300000000, 0.0002701500000000, -0.0003131000000000 ] - [ 0.0046073000000000, 0.0006834400000000, 0.0037745700000000 ] - [ -0.0388444500000000, 0.0017183900000000, -0.0002072200000000 ] - [ 0.0000970600000000, -0.0006225800000000, 0.0000891900000000 ] - [ 0.0006858500000000, -0.0005557200000000, 0.0002965000000000 ] - [ -0.0001409600000000, 0.0000810100000000, -0.0001062600000000 ] - [ 0.0001146300000000, 0.0003121300000000, -0.0004244200000000 ] - [ -0.0000266800000000, 0.0001028400000000, -0.0001403700000000 ] - [ -0.0002623300000000, 0.0003907800000000, 0.0003474000000000 ] - [ -0.0002924500000000, -0.0005527300000000, -0.0001499100000000 ] - [ 0.0003841300000000, -0.0006515500000000, 0.0010728900000000 ] - [ 0.0009549500000000, 0.0001290600000000, 0.0011160200000000 ] - [ 0.0002432900000000, 0.0001736900000000, -0.0000320500000000 ] - [ -0.0005346800000000, -0.0017565700000000, 0.0015801300000000 ] - [ -0.0018743800000000, 0.0004514100000000, -0.0011565900000000 ] - [ 0.0005106000000000, 0.0002317400000000, 0.0001236600000000 ] - [ 0.0001976800000000, 0.0001398500000000, 0.0004539200000000 ] - [ -0.0001199700000000, -0.0003014300000000, -0.0000394800000000 ] - [ 0.0033468700000000, -0.0014808500000000, -0.0001239300000000 ] - [ -0.0227989100000000, -0.0033964600000000, -0.0000177600000000 ] - [ -0.0001446300000000, -0.0000487700000000, 0.0003047500000000 ] - [ -0.0024286300000000, -0.0004857200000000, -0.0004309900000000 ] - [ -0.0011478900000000, 0.0009262900000000, -0.0000172100000000 ] - [ -0.0001301500000000, -0.0005043200000000, -0.0002133300000000 ] - [ -0.0003251300000000, 0.0004055500000000, -0.0013827900000000 ] - [ 0.0018334000000000, 0.0001567800000000, -0.0006953100000000 ] - [ -0.0098947800000000, 0.0003552900000000, 0.0009760500000000 ] - [ 0.0010497700000000, 0.0005280800000000, 0.0001552200000000 ] - [ 0.0107680700000000, 0.0115314100000000, 0.0011096100000000 ] - [ -0.0005750300000000, 0.0008189700000000, 0.0012527100000000 ] - [ 0.0017345100000000, 0.0007565500000000, -0.0004447000000000 ] - [ -0.0000315100000000, -0.0002334600000000, -0.0000162600000000 ] - [ 0.0001279700000000, 0.0006046100000000, -0.0001993400000000 ] - [ -0.0275055900000000, 0.0079276900000000, 0.0009087700000000 ] - [ 0.0067313800000000, -0.0000533400000000, -0.0002069900000000 ] - [ 0.0005084800000000, -0.0000751800000000, 0.0003241900000000 ] - [ 0.0001178800000000, -0.0005941100000000, -0.0011864300000000 ] - [ 0.0000849600000000, 0.0005607100000000, -0.0001788700000000 ] - [ -0.0004834500000000, -0.0001245300000000, -0.0002312700000000 ] - [ -0.0001388100000000, -0.0004638500000000, 0.0001442700000000 ] - [ 0.0007079100000000, 0.0008913800000000, -0.0005275000000000 ] - [ -0.0000217900000000, 0.0001983900000000, -0.0002301100000000 ] - [ -0.0005463100000000, 0.0009186000000000, 0.0007354400000000 ] - [ -0.0001052500000000, 0.0004890700000000, 0.0001178200000000 ] - [ 0.0004748700000000, 0.0001877900000000, -0.0001395400000000 ] - [ 0.0008906400000000, 0.0023771300000000, -0.0025265300000000 ] - [ -0.0005407200000000, -0.0003253300000000, -0.0003486600000000 ] - [ -0.0002479500000000, -0.0004443000000000, -0.0004588300000000 ] - [ 0.0005643900000000, -0.0000779800000000, 0.0007523600000000 ] - [ 0.0003326500000000, -0.0006991600000000, 0.0004772800000000 ] - [ 0.0002174500000000, 0.0001643000000000, -0.0002059800000000 ] - [ 0.0003289500000000, 0.0002032000000000, -0.0015704900000000 ] - [ 0.0166495000000000, 0.0012843800000000, -0.0023325200000000 ] - [ -0.0015161400000000, -0.0007972800000000, 0.0002925100000000 ] - [ 0.0000485300000000, -0.0004542000000000, 0.0001663200000000 ] - [ 0.0002578900000000, -0.0004215200000000, -0.0000325700000000 ] - [ 0.0003835600000000, -0.0012772100000000, -0.0009372400000000 ] - [ 0.0015782500000000, 0.0017315000000000, 0.0014264300000000 ] - [ 0.0000974200000000, -0.0001327700000000, -0.0003171300000000 ] - [ 0.0041895400000000, 0.0001531700000000, -0.0041314400000000 ] - [ -0.0002246700000000, 0.0006435600000000, 0.0005035800000000 ] - [ 0.0054097400000000, -0.0038238600000000, 0.0002243600000000 ] - [ -0.0113768600000000, -0.0001925300000000, 0.0046590900000000 ] - [ -0.0010655000000000, -0.0001156400000000, -0.0016802400000000 ] - [ -0.0016264900000000, 0.0002181100000000, -0.0004487400000000 ] - [ 0.0000205300000000, 0.0002328300000000, -0.0006054300000000 ] - [ -0.0093711100000000, 0.0160305500000000, -0.0018772100000000 ] - [ 0.0000959400000000, -0.0001033300000000, 0.0000187100000000 ] - [ 0.0005241000000000, -0.0003200700000000, 0.0000834900000000 ] - [ -0.0012293000000000, 0.0001089900000000, -0.0000956800000000 ] - [ 0.0001183200000000, 0.0001137800000000, -0.0000345100000000 ] - [ -0.0001760300000000, 0.0001763200000000, -0.0002229200000000 ] - [ -0.0005040200000000, -0.0001735200000000, -0.0009184500000000 ] - [ 0.0001832600000000, -0.0005076800000000, 0.0002206900000000 ] - [ 0.0015846200000000, -0.0004671800000000, -0.0010655900000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0018274400000000, -0.0056803800000000, -0.0009691900000000 ] - [ -0.0001072300000000, 0.0012857300000000, -0.0006569800000000 ] - [ 0.0001334500000000, 0.0008212400000000, 0.0003442200000000 ] - [ -0.0000647900000000, -0.0013868200000000, 0.0007517900000000 ] - [ -0.0001087500000000, 0.0007407000000000, 0.0003400100000000 ] - [ -0.0001251300000000, 0.0013135200000000, -0.0001672900000000 ] - [ -0.0000057900000000, 0.0008581200000000, 0.0002310800000000 ] - [ 0.0006998800000000, 0.0021807200000000, -0.0012225600000000 ] - [ 0.0002129800000000, -0.0008006500000000, -0.0027297400000000 ] - [ 0.0000779700000000, 0.0013535800000000, 0.0002193100000000 ] - [ -0.0029677100000000, -0.0027607300000000, -0.0027937600000000 ] - [ 0.0014354400000000, -0.0054158900000000, 0.0012847900000000 ] - [ 0.0008802800000000, -0.0007686700000000, -0.0010026700000000 ] - [ -0.0031238600000000, -0.0042278300000000, 0.0043384600000000 ] - [ 0.0000153900000000, 0.0009215100000000, -0.0002640700000000 ] - [ -0.0003523500000000, -0.0006826200000000, 0.0006729500000000 ] - [ -0.0001593200000000, 0.0011744200000000, 0.0001230000000000 ] - [ -0.0004203100000000, 0.0006210500000000, -0.0004109000000000 ] - [ -0.0004115600000000, 0.0002630100000000, -0.0010671400000000 ] - [ 0.0000570400000000, -0.0005783900000000, -0.0005586100000000 ] - [ -0.0016627600000000, 0.0050518300000000, 0.0055166900000000 ] - [ -0.0000955200000000, 0.0016710300000000, -0.0003218000000000 ] - [ -0.0004201300000000, 0.0009255000000000, 0.0004529300000000 ] - [ 0.0003265000000000, -0.0005222100000000, 0.0017872300000000 ] - [ -0.0091914300000000, -0.1423394800000000, 0.0032396000000000 ] - [ 0.0028182200000000, -0.0107928100000000, 0.0002521800000000 ] - [ -0.0001407100000000, 0.0074789800000000, 0.0041571800000000 ] - [ -0.0004937800000000, 0.0044353800000000, -0.0004712000000000 ] - [ 0.0000195800000000, 0.0016762400000000, -0.0007914200000000 ] - [ -0.0103983400000000, 0.0101655200000000, -0.0028370300000000 ] - [ 0.0032125700000000, 0.0103361300000000, -0.0000378900000000 ] - [ -0.0013067300000000, 0.0052567100000000, 0.0008852400000000 ] - [ -0.0001820900000000, -0.0011016100000000, 0.0017258200000000 ] - [ -0.0002385600000000, 0.0016825000000000, -0.0002664900000000 ] - [ -0.0000842200000000, -0.0028618900000000, -0.0009764100000000 ] - [ 0.0000710500000000, -0.0025835900000000, -0.0007944500000000 ] - [ 0.0000739800000000, 0.0022225900000000, -0.0008152800000000 ] - [ 0.0007726300000000, -0.0000750200000000, 0.0032469800000000 ] - [ 0.0002558400000000, 0.0051240800000000, -0.0002909700000000 ] - [ -0.0069349300000000, 0.0194589500000000, -0.0189913800000000 ] - [ 0.0130779500000000, 0.0081415700000000, -0.0027947300000000 ] - [ 0.0004640200000000, -0.0012010300000000, 0.0011056200000000 ] - [ 0.0000512300000000, 0.0020659800000000, 0.0000618000000000 ] - [ -0.0016599800000000, -0.0010844800000000, -0.0024207500000000 ] - [ -0.0003330100000000, 0.0028474000000000, -0.0008804300000000 ] - [ 0.0006398300000000, 0.0027647600000000, 0.0009295400000000 ] - [ -0.0000579600000000, -0.0011256500000000, -0.0004747700000000 ] - [ -0.0001163100000000, 0.0020274600000000, 0.0003592100000000 ] - [ 0.0003173400000000, -0.0024319000000000, 0.0000653800000000 ] - [ 0.0278509900000000, -0.0007862200000000, 0.0008536100000000 ] - [ -0.0001626500000000, -0.0002140800000000, 0.0035113200000000 ] - [ -0.0006284300000000, 0.0007287100000000, 0.0003819800000000 ] - [ 0.0007627600000000, 0.0035605900000000, 0.0010074600000000 ] - [ -0.0155432800000000, 0.0104753800000000, -0.0002725100000000 ] - [ 0.0003932500000000, 0.0016174700000000, 0.0001368800000000 ] - [ -0.0012756100000000, -0.0041680900000000, -0.0082221800000000 ] - [ -0.0000566600000000, 0.0021362700000000, -0.0001094800000000 ] - [ 0.0002518000000000, -0.0005143000000000, -0.0001447300000000 ] - [ -0.0006092200000000, 0.0035215400000000, -0.0001123800000000 ] - [ -0.0009827800000000, -0.0015444400000000, 0.0002247000000000 ] - [ -0.0029152400000000, 0.0006016800000000, -0.0040266500000000 ] - [ 0.0023262300000000, 0.0018563100000000, -0.0024020100000000 ] - [ -0.0002849500000000, -0.0019894100000000, 0.0000800200000000 ] - [ -0.0002550100000000, 0.0004632800000000, 0.0004249900000000 ] - [ -0.0010760500000000, -0.0008276000000000, -0.0010253000000000 ] - [ 0.0003128300000000, 0.0011483600000000, 0.0027699200000000 ] - [ -0.0008578500000000, 0.0020844700000000, 0.0008596200000000 ] - [ 0.0006181900000000, 0.0025728800000000, -0.0030526200000000 ] - [ -0.0019460700000000, 0.0017004600000000, -0.0003376300000000 ] - [ -0.0002968900000000, -0.0018119200000000, 0.0017529100000000 ] - [ 0.0006560000000000, 0.0008788300000000, 0.0000587000000000 ] - [ 0.0004658900000000, 0.0024402800000000, -0.0001782300000000 ] - [ 0.0005105400000000, 0.0009060400000000, -0.0005911800000000 ] - [ 0.0006293500000000, 0.0005850300000000, 0.0031434400000000 ] - [ 0.0022859400000000, -0.0020206800000000, 0.0005868600000000 ] - [ 0.0001882900000000, 0.0008253500000000, 0.0011744600000000 ] - [ -0.0000179500000000, -0.0003357300000000, -0.0000513500000000 ] - [ 0.0000019800000000, 0.0042333500000000, -0.0000219600000000 ] - [ 0.0000734200000000, 0.0003383100000000, 0.0000593500000000 ] - [ 0.0129648100000000, 0.0427562500000000, 0.0062935700000000 ] - [ -0.0007395900000000, -0.0022375600000000, -0.0002666200000000 ] - [ 0.0000091200000000, -0.0013121300000000, 0.0003046900000000 ] - [ -0.0001126700000000, 0.0011869200000000, -0.0006492700000000 ] - [ 0.0001134700000000, -0.0023594300000000, -0.0000121000000000 ] - [ -0.0054885600000000, -0.0151274900000000, -0.0015087700000000 ] - [ -0.0002871600000000, 0.0012531000000000, 0.0006745600000000 ] - [ 0.0001146700000000, -0.0005410400000000, -0.0013995600000000 ] - [ 0.0018760900000000, 0.0012086500000000, 0.0041334800000000 ] - [ -0.0001539300000000, -0.0008927600000000, -0.0018067300000000 ] - [ 0.0002144200000000, -0.0017405500000000, 0.0000775200000000 ] - [ -0.0000611100000000, -0.0015449900000000, 0.0003459900000000 ] - [ 0.0001028800000000, -0.0031009500000000, -0.0000578200000000 ] - [ 0.0003463400000000, 0.0016780000000000, 0.0008080600000000 ] - [ 0.0000128200000000, -0.0002435100000000, -0.0018504600000000 ] - [ -0.0009771000000000, -0.0049584900000000, 0.0006549600000000 ] - [ 0.0002476300000000, -0.0035542100000000, -0.0001679300000000 ] - [ 0.0120042600000000, 0.0264793300000000, 0.0032632200000000 ] - [ 0.0032790700000000, -0.0076159800000000, 0.0008482000000000 ] - [ -0.0003555500000000, -0.0012018900000000, 0.0004585900000000 ] - [ 0.0001961100000000, -0.0020100000000000, 0.0000002200000000 ] - [ 0.0006033700000000, 0.0005196300000000, 0.0027434700000000 ] - [ 0.0000269800000000, -0.0023120200000000, -0.0004554700000000 ] - [ 0.0000503300000000, 0.0021947900000000, -0.0016887900000000 ] - [ 0.0021373900000000, 0.0160695100000000, 0.0007121600000000 ] - [ 0.0003200800000000, 0.0013610900000000, -0.0000925300000000 ] - [ 0.0018363000000000, -0.0013222200000000, 0.0013252100000000 ] - [ -0.0004262700000000, -0.0008300200000000, -0.0002187400000000 ] - [ 0.0005113000000000, -0.0006524000000000, -0.0002949300000000 ] - [ 0.0006997300000000, -0.0012076800000000, 0.0000293600000000 ] - [ 0.0001588900000000, -0.0014322700000000, -0.0003804100000000 ] - [ 0.0001660900000000, -0.0014655600000000, -0.0004589700000000 ] - [ 0.0024621600000000, -0.0019891000000000, 0.0025746100000000 ] - [ 0.0006905700000000, 0.0022727000000000, -0.0010016000000000 ] - [ -0.0002836200000000, 0.0020772600000000, 0.0000814700000000 ] - [ 0.0022886600000000, -0.0027731600000000, 0.0051258800000000 ] - [ -0.0022823700000000, -0.0030421300000000, 0.0031927100000000 ] - [ -0.0000403000000000, -0.0013549700000000, 0.0004217100000000 ] - [ 0.0005381400000000, 0.0021733700000000, 0.0005951200000000 ] - [ -0.0002644400000000, -0.0020203700000000, -0.0001430000000000 ] - [ -0.0004021900000000, 0.0002802100000000, 0.0005767600000000 ] - [ 0.0009120300000000, 0.0062022600000000, -0.0001970500000000 ] - [ 0.0001389900000000, 0.0003713800000000, 0.0003022500000000 ] - [ 0.0003860800000000, -0.0052234800000000, -0.0002024400000000 ] - [ 0.0004265100000000, -0.0035805100000000, 0.0001077100000000 ] - [ -0.0002166300000000, -0.0004710300000000, -0.0000156500000000 ] - [ 0.0000402700000000, -0.0007643300000000, 0.0016360000000000 ] - [ 0.0002365500000000, -0.0020807400000000, -0.0005337800000000 ] - [ 0.0009343800000000, 0.0149244800000000, -0.0129068900000000 ] - [ -0.0008064000000000, -0.0023148000000000, -0.0002994600000000 ] - [ -0.0077699200000000, 0.0009483100000000, -0.0010414000000000 ] - [ -0.0013783000000000, -0.0020961400000000, -0.0025659100000000 ] - [ 0.0008129100000000, 0.0011335100000000, 0.0004954800000000 ] - [ -0.0000137800000000, 0.0015819300000000, -0.0000925700000000 ] - [ 0.0000748500000000, -0.0006206800000000, -0.0000782200000000 ] - [ -0.0135783300000000, 0.0189678300000000, 0.0008834100000000 ] - [ -0.0019085700000000, 0.0050859900000000, -0.0003232700000000 ] - [ 0.0004261100000000, -0.0001827400000000, 0.0002370700000000 ] - [ 0.0004730900000000, 0.0008677700000000, -0.0029585200000000 ] - [ 0.0000754800000000, 0.0004875500000000, -0.0001668700000000 ] - [ -0.0006605200000000, -0.0003727100000000, -0.0002133100000000 ] - [ -0.0000647500000000, -0.0021075400000000, 0.0002701300000000 ] - [ -0.0008725500000000, -0.0014307800000000, 0.0008909400000000 ] - [ -0.0002098100000000, -0.0017770600000000, -0.0007335200000000 ] - [ -0.0012063500000000, -0.0012563400000000, -0.0015479500000000 ] - [ -0.0001277100000000, 0.0003629400000000, 0.0002296800000000 ] - [ -0.0005440100000000, -0.0012496000000000, -0.0000158100000000 ] - [ -0.0019094000000000, -0.0011702100000000, 0.0046888600000000 ] - [ -0.0006598500000000, 0.0001082000000000, 0.0000403900000000 ] - [ -0.0004292800000000, 0.0011963700000000, 0.0001324300000000 ] - [ 0.0010398000000000, -0.0004916100000000, 0.0013355400000000 ] - [ 0.0005553100000000, -0.0015519400000000, 0.0002836700000000 ] - [ -0.0001360800000000, -0.0012418900000000, 0.0003535600000000 ] - [ -0.0008423900000000, -0.0016375100000000, 0.0008512200000000 ] - [ 0.0089674900000000, 0.0019039800000000, -0.0021246600000000 ] - [ 0.0003888100000000, -0.0015453700000000, -0.0017926700000000 ] - [ 0.0004025500000000, -0.0028762400000000, 0.0000110100000000 ] - [ -0.0001909200000000, 0.0014964000000000, 0.0001090400000000 ] - [ 0.0019529400000000, -0.0012634800000000, -0.0030076300000000 ] - [ -0.0015829200000000, -0.0011104900000000, -0.0032985800000000 ] - [ 0.0002022600000000, -0.0008256300000000, -0.0001919400000000 ] - [ -0.0003031700000000, 0.0019816600000000, 0.0009436300000000 ] - [ -0.0001524200000000, 0.0014718300000000, 0.0008506700000000 ] - [ 0.0028607200000000, 0.0039005700000000, 0.0002072000000000 ] - [ -0.0004936600000000, 0.0139031800000000, 0.0085065700000000 ] - [ -0.0014187600000000, 0.0023979600000000, -0.0002471500000000 ] - [ -0.0002213100000000, 0.0048052000000000, 0.0045246300000000 ] - [ -0.0006893000000000, -0.0010370400000000, 0.0030501100000000 ] - [ -0.0132065200000000, -0.0106260800000000, 0.0015946200000000 ] - [ 0.0000696200000000, -0.0016733100000000, 0.0000246700000000 ] - [ 0.0003621700000000, -0.0009145000000000, -0.0001240200000000 ] - [ 0.0004660400000000, -0.0029650400000000, 0.0002621200000000 ] - [ 0.0004795900000000, -0.0018616900000000, -0.0011223500000000 ] - [ -0.0000089800000000, -0.0016603500000000, -0.0000178600000000 ] - [ -0.0004206500000000, -0.0003646700000000, -0.0014844000000000 ] - [ 0.0003645200000000, -0.0007172400000000, -0.0001786700000000 ] - [ 0.0001811600000000, -0.0006111300000000, -0.0016890200000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0016004800000000, 0.0054938400000000, 0.0011546700000000 ] - [ -0.0000212800000000, -0.0008489700000000, 0.0005997900000000 ] - [ 0.0004838100000000, -0.0008330800000000, -0.0004938200000000 ] - [ 0.0001578700000000, 0.0007307500000000, -0.0004759500000000 ] - [ 0.0000154500000000, -0.0014070200000000, -0.0006179400000000 ] - [ -0.0000651000000000, -0.0015302900000000, -0.0000194200000000 ] - [ -0.0001833500000000, -0.0006491500000000, -0.0004172900000000 ] - [ 0.0001639000000000, -0.0018541300000000, 0.0014491700000000 ] - [ -0.0001529800000000, 0.0007234600000000, 0.0026278500000000 ] - [ -0.0001353900000000, -0.0012535000000000, -0.0001051000000000 ] - [ 0.0030385700000000, 0.0034690000000000, 0.0030644000000000 ] - [ -0.0012984100000000, 0.0049968500000000, -0.0012273700000000 ] - [ -0.0000136800000000, 0.0004281600000000, 0.0012195400000000 ] - [ 0.0031810800000000, 0.0043802000000000, -0.0044455800000000 ] - [ -0.0000731400000000, -0.0010283900000000, 0.0003763300000000 ] - [ -0.0002703100000000, 0.0006633500000000, -0.0005303900000000 ] - [ 0.0000305200000000, -0.0016175100000000, -0.0001771700000000 ] - [ -0.0004462600000000, -0.0009580100000000, 0.0001952100000000 ] - [ -0.0004569800000000, 0.0000674400000000, 0.0008518400000000 ] - [ 0.0000703300000000, 0.0010256700000000, 0.0006156400000000 ] - [ 0.0022562000000000, -0.0050077800000000, -0.0056043300000000 ] - [ 0.0000040600000000, -0.0010101100000000, 0.0000414900000000 ] - [ -0.0001954300000000, -0.0009168400000000, -0.0003077200000000 ] - [ -0.0001388700000000, 0.0007412200000000, -0.0016116800000000 ] - [ 0.0113732100000000, 0.1441585300000000, -0.0010520500000000 ] - [ -0.0028372600000000, 0.0103676100000000, 0.0000417300000000 ] - [ -0.0002315700000000, -0.0085429400000000, -0.0035158800000000 ] - [ -0.0000283600000000, -0.0047668300000000, -0.0004474000000000 ] - [ -0.0000867900000000, -0.0012171500000000, 0.0004968500000000 ] - [ 0.0106627900000000, -0.0099233100000000, 0.0019761300000000 ] - [ -0.0033726100000000, -0.0100145100000000, 0.0009088000000000 ] - [ 0.0014150500000000, -0.0048902100000000, -0.0007947800000000 ] - [ -0.0001667200000000, 0.0021009600000000, -0.0010798200000000 ] - [ -0.0002881900000000, -0.0013750700000000, -0.0006551500000000 ] - [ -0.0000327400000000, 0.0024944300000000, 0.0008848100000000 ] - [ 0.0001195300000000, 0.0022733800000000, -0.0001192900000000 ] - [ 0.0003255700000000, -0.0020406700000000, 0.0007344700000000 ] - [ -0.0004092800000000, -0.0009719900000000, -0.0039124800000000 ] - [ -0.0003263800000000, -0.0056083100000000, 0.0000046900000000 ] - [ 0.0072324500000000, -0.0194630600000000, 0.0187082700000000 ] - [ -0.0132809300000000, -0.0078092800000000, 0.0027186000000000 ] - [ 0.0000616300000000, 0.0015372900000000, -0.0001934900000000 ] - [ 0.0000669200000000, -0.0024449000000000, 0.0000233100000000 ] - [ 0.0012558500000000, 0.0012559000000000, 0.0024988100000000 ] - [ -0.0000642000000000, -0.0030325200000000, 0.0009701300000000 ] - [ -0.0002714900000000, -0.0017429000000000, -0.0016006400000000 ] - [ 0.0001253600000000, 0.0016143300000000, 0.0007628400000000 ] - [ -0.0000699700000000, -0.0023448600000000, 0.0005131700000000 ] - [ -0.0006275000000000, 0.0019661800000000, -0.0001221800000000 ] - [ -0.0275039300000000, 0.0009677300000000, -0.0006848400000000 ] - [ 0.0006202000000000, 0.0002891400000000, -0.0042278200000000 ] - [ 0.0009235200000000, -0.0008624900000000, 0.0001668900000000 ] - [ -0.0003478100000000, -0.0029059300000000, -0.0012476700000000 ] - [ 0.0150465100000000, -0.0097904400000000, 0.0005069400000000 ] - [ -0.0000781500000000, -0.0020995900000000, -0.0000831600000000 ] - [ 0.0016163300000000, 0.0033771800000000, 0.0077981900000000 ] - [ 0.0000897100000000, -0.0015278800000000, -0.0001071700000000 ] - [ 0.0001714400000000, -0.0001524200000000, -0.0000950200000000 ] - [ 0.0005435800000000, -0.0031342900000000, -0.0000555800000000 ] - [ 0.0009556400000000, 0.0009402400000000, -0.0000094800000000 ] - [ 0.0026408900000000, -0.0004681000000000, 0.0035124400000000 ] - [ -0.0020230200000000, -0.0017199200000000, 0.0029423300000000 ] - [ 0.0002474600000000, 0.0026135500000000, 0.0001344100000000 ] - [ -0.0001647500000000, -0.0011246800000000, -0.0001865900000000 ] - [ 0.0007807200000000, 0.0006930000000000, 0.0004886300000000 ] - [ -0.0000642600000000, -0.0014071300000000, -0.0029251800000000 ] - [ 0.0006051400000000, -0.0018298900000000, -0.0007232700000000 ] - [ -0.0003150500000000, -0.0017981800000000, 0.0026102400000000 ] - [ 0.0016382600000000, -0.0009180300000000, 0.0007917000000000 ] - [ 0.0005481300000000, 0.0020734300000000, -0.0019089700000000 ] - [ -0.0011084900000000, -0.0009493200000000, 0.0006331000000000 ] - [ -0.0001481800000000, -0.0019752600000000, 0.0002334200000000 ] - [ -0.0008120700000000, -0.0016904300000000, 0.0010499800000000 ] - [ -0.0010674600000000, -0.0005241900000000, -0.0024449900000000 ] - [ -0.0018023900000000, 0.0018283500000000, -0.0014524400000000 ] - [ -0.0004477300000000, -0.0010963500000000, -0.0010270500000000 ] - [ -0.0000530100000000, -0.0000751900000000, -0.0001185400000000 ] - [ 0.0000332100000000, -0.0048436300000000, -0.0001936700000000 ] - [ -0.0000030800000000, -0.0007309800000000, 0.0001091100000000 ] - [ -0.0135001100000000, -0.0429698700000000, -0.0065197100000000 ] - [ 0.0012100600000000, 0.0030479800000000, 0.0003310600000000 ] - [ -0.0001400300000000, 0.0012954500000000, 0.0005204100000000 ] - [ -0.0004403700000000, -0.0013513200000000, 0.0011274200000000 ] - [ -0.0003819300000000, 0.0031482300000000, -0.0002318800000000 ] - [ 0.0055894900000000, 0.0150809500000000, 0.0021890600000000 ] - [ 0.0008026600000000, -0.0011646000000000, -0.0003565900000000 ] - [ 0.0003677400000000, 0.0004435000000000, 0.0011488700000000 ] - [ -0.0024490900000000, -0.0011046300000000, -0.0043456700000000 ] - [ -0.0002409300000000, 0.0008303500000000, 0.0022207000000000 ] - [ 0.0002576400000000, 0.0009414100000000, -0.0000122100000000 ] - [ 0.0002871000000000, 0.0016866500000000, -0.0000697600000000 ] - [ -0.0003808600000000, 0.0041919500000000, 0.0004052900000000 ] - [ -0.0008358100000000, -0.0011723600000000, 0.0000271500000000 ] - [ 0.0005583600000000, 0.0002135900000000, 0.0024325600000000 ] - [ 0.0008334300000000, 0.0037859900000000, -0.0003190600000000 ] - [ -0.0000301400000000, 0.0024357200000000, -0.0002004200000000 ] - [ -0.0128163500000000, -0.0268573400000000, -0.0032419800000000 ] - [ -0.0031153000000000, 0.0064592200000000, -0.0011924100000000 ] - [ -0.0000369400000000, 0.0012709200000000, -0.0000415700000000 ] - [ -0.0005823400000000, 0.0028831700000000, -0.0000601500000000 ] - [ -0.0004744800000000, -0.0005097600000000, -0.0035927000000000 ] - [ -0.0005971500000000, 0.0023470000000000, -0.0001118500000000 ] - [ 0.0005325800000000, -0.0021656200000000, 0.0022737000000000 ] - [ -0.0021580500000000, -0.0170690600000000, -0.0003640700000000 ] - [ -0.0000415300000000, -0.0024590900000000, -0.0002551500000000 ] - [ -0.0020846800000000, 0.0014152600000000, -0.0011381400000000 ] - [ -0.0000607000000000, 0.0009018800000000, 0.0000047300000000 ] - [ -0.0000272000000000, 0.0011637900000000, -0.0005397800000000 ] - [ -0.0004645400000000, 0.0011210300000000, -0.0002255500000000 ] - [ -0.0004914900000000, 0.0019760700000000, 0.0009692100000000 ] - [ -0.0004936200000000, 0.0009318300000000, 0.0010373600000000 ] - [ -0.0018843100000000, 0.0018943500000000, -0.0023587400000000 ] - [ -0.0003562400000000, -0.0017418100000000, 0.0004278900000000 ] - [ 0.0003482100000000, -0.0019587900000000, 0.0005885100000000 ] - [ -0.0027974400000000, 0.0022799800000000, -0.0043334100000000 ] - [ 0.0025064000000000, 0.0031202400000000, -0.0033731500000000 ] - [ 0.0006065600000000, 0.0014471000000000, -0.0002175200000000 ] - [ -0.0002100900000000, -0.0020379000000000, -0.0002579600000000 ] - [ -0.0000034300000000, 0.0012460100000000, -0.0000994400000000 ] - [ 0.0007287800000000, -0.0004326100000000, -0.0002462900000000 ] - [ -0.0010549000000000, -0.0066046600000000, -0.0000872100000000 ] - [ -0.0004111100000000, -0.0006020100000000, 0.0000342100000000 ] - [ -0.0007077800000000, 0.0050699400000000, -0.0001279400000000 ] - [ -0.0002070700000000, 0.0039181600000000, 0.0000085400000000 ] - [ -0.0001727000000000, -0.0003883000000000, -0.0000386800000000 ] - [ -0.0002741600000000, 0.0006240100000000, -0.0019258800000000 ] - [ -0.0003026100000000, 0.0019702200000000, -0.0001330800000000 ] - [ -0.0011977100000000, -0.0148668300000000, 0.0124172800000000 ] - [ 0.0017544300000000, 0.0024637300000000, 0.0004225100000000 ] - [ 0.0087305700000000, -0.0002708700000000, 0.0009121700000000 ] - [ 0.0008786800000000, 0.0020226000000000, 0.0023396100000000 ] - [ -0.0010423800000000, -0.0012178500000000, -0.0003029900000000 ] - [ -0.0002016100000000, -0.0019269100000000, -0.0000190100000000 ] - [ 0.0000766900000000, 0.0017990300000000, -0.0002619300000000 ] - [ 0.0117340400000000, -0.0182855700000000, -0.0010716900000000 ] - [ 0.0022036800000000, -0.0040259300000000, -0.0000266200000000 ] - [ 0.0005151800000000, 0.0000448400000000, -0.0001124500000000 ] - [ -0.0000823400000000, -0.0009419800000000, 0.0025583900000000 ] - [ 0.0001446900000000, 0.0006531400000000, -0.0002007100000000 ] - [ -0.0002799600000000, 0.0002298800000000, 0.0000917800000000 ] - [ -0.0002159500000000, 0.0010250000000000, 0.0000789400000000 ] - [ 0.0003079400000000, 0.0013445700000000, -0.0011035800000000 ] - [ 0.0001427200000000, 0.0019078300000000, 0.0000715700000000 ] - [ 0.0006622700000000, 0.0014296700000000, 0.0020320000000000 ] - [ -0.0000917800000000, 0.0007582300000000, 0.0001400900000000 ] - [ 0.0010354000000000, 0.0013592200000000, -0.0002351600000000 ] - [ 0.0016877000000000, 0.0010370400000000, -0.0042891200000000 ] - [ -0.0003055100000000, -0.0006872200000000, 0.0000980100000000 ] - [ -0.0000477700000000, -0.0020125700000000, -0.0001914300000000 ] - [ -0.0008084200000000, 0.0003579300000000, -0.0010507200000000 ] - [ -0.0003226500000000, 0.0014255800000000, -0.0007054900000000 ] - [ 0.0003674200000000, 0.0013756100000000, -0.0007793200000000 ] - [ 0.0013236700000000, 0.0011306500000000, -0.0016843500000000 ] - [ -0.0085699600000000, -0.0010292300000000, 0.0021787700000000 ] - [ -0.0008878900000000, 0.0014420500000000, 0.0020581300000000 ] - [ -0.0006831700000000, 0.0031251000000000, 0.0003198200000000 ] - [ 0.0004555900000000, -0.0022902300000000, 0.0001358500000000 ] - [ -0.0014717300000000, 0.0012000500000000, 0.0032445000000000 ] - [ 0.0019240900000000, 0.0005742000000000, 0.0027260600000000 ] - [ 0.0000714400000000, 0.0005841700000000, -0.0001392100000000 ] - [ 0.0004450700000000, -0.0020054000000000, -0.0017921600000000 ] - [ 0.0000005300000000, -0.0002887800000000, -0.0005107500000000 ] - [ -0.0031024800000000, -0.0035965600000000, -0.0003296600000000 ] - [ 0.0008710700000000, -0.0139773400000000, -0.0090739900000000 ] - [ 0.0008619500000000, -0.0022229000000000, 0.0005463700000000 ] - [ -0.0000240600000000, -0.0046995000000000, -0.0041194700000000 ] - [ 0.0005548000000000, 0.0010584600000000, -0.0022150800000000 ] - [ 0.0134370200000000, 0.0111738400000000, -0.0019398900000000 ] - [ 0.0001528100000000, 0.0013450800000000, 0.0000917900000000 ] - [ 0.0006045500000000, 0.0003245100000000, -0.0000073200000000 ] - [ -0.0014375900000000, 0.0035645200000000, -0.0001307300000000 ] - [ 0.0000742600000000, 0.0016960200000000, 0.0006550700000000 ] - [ -0.0003164000000000, 0.0018060400000000, -0.0003143600000000 ] - [ -0.0001483700000000, 0.0003472100000000, 0.0009101700000000 ] - [ 0.0000231900000000, -0.0001509400000000, 0.0002398700000000 ] - [ 0.0003768900000000, 0.0007950700000000, 0.0012121500000000 ]- atom: 25 displacement: [ -0.0035230240541542, 0.0000000000000000, 0.0093588621911988 ] forces: - [ -0.0110815200000000, -0.0021835500000000, 0.0021628600000000 ] - [ -0.0000368800000000, -0.0002330700000000, 0.0004410800000000 ] - [ 0.0002439900000000, 0.0001985200000000, 0.0002137000000000 ] - [ -0.0007320800000000, 0.0001059500000000, 0.0008403200000000 ] - [ 0.0001407700000000, 0.0001117500000000, -0.0000562900000000 ] - [ -0.0000564300000000, -0.0001977000000000, -0.0001588800000000 ] - [ -0.0002485500000000, 0.0002971500000000, 0.0001253000000000 ] - [ 0.0005077500000000, -0.0003740300000000, -0.0003906000000000 ] - [ -0.0003938900000000, -0.0045112400000000, 0.0031076100000000 ] - [ -0.0000039100000000, 0.0001088700000000, -0.0000870300000000 ] - [ 0.0073727000000000, -0.0019021300000000, 0.0006918700000000 ] - [ 0.0028138200000000, 0.0004457300000000, -0.0016618800000000 ] - [ -0.0011966800000000, -0.0016168500000000, 0.0032970900000000 ] - [ -0.0089702500000000, 0.0054949600000000, 0.0080804000000000 ] - [ -0.0000944100000000, -0.0002187000000000, 0.0002826100000000 ] - [ 0.0014568900000000, 0.0013183300000000, 0.0011489400000000 ] - [ -0.0000674800000000, -0.0001072700000000, -0.0001709700000000 ] - [ -0.0003914000000000, -0.0003577100000000, -0.0000018100000000 ] - [ -0.0010626000000000, -0.0001022100000000, -0.0004037900000000 ] - [ 0.0001073500000000, -0.0000523400000000, 0.0005188100000000 ] - [ 0.0007351500000000, 0.0074103200000000, -0.0009813600000000 ] - [ -0.0000909400000000, 0.0000837900000000, -0.0001029700000000 ] - [ -0.0005206100000000, 0.0001786500000000, -0.0000149300000000 ] - [ 0.0004749400000000, 0.0016816800000000, 0.0012301200000000 ] - [ 0.0584090900000000, 0.0048724100000000, -0.1606556600000000 ] - [ -0.0089194000000000, 0.0003720100000000, -0.0041912800000000 ] - [ 0.0005054700000000, 0.0004998400000000, -0.0001302700000000 ] - [ -0.0005364600000000, -0.0002275200000000, -0.0008601100000000 ] - [ -0.0006470900000000, 0.0009033000000000, 0.0023297000000000 ] - [ -0.0017670000000000, 0.0031724500000000, -0.0043215800000000 ] - [ -0.0003505900000000, -0.0025994300000000, -0.0017866100000000 ] - [ 0.0002567100000000, 0.0012274600000000, -0.0016792100000000 ] - [ -0.0069964900000000, 0.0051691000000000, 0.0064109600000000 ] - [ 0.0004538400000000, 0.0003391500000000, 0.0009037000000000 ] - [ 0.0005696900000000, 0.0000642800000000, 0.0084060800000000 ] - [ -0.0008818900000000, 0.0001848900000000, 0.0107183700000000 ] - [ -0.0000158800000000, -0.0007410700000000, 0.0005389900000000 ] - [ -0.0028554000000000, 0.0002982100000000, -0.0027542300000000 ] - [ 0.0001732700000000, -0.0004609500000000, -0.0007269500000000 ] - [ 0.0122566900000000, -0.0188877900000000, -0.0063670200000000 ] - [ -0.0014380400000000, -0.0023355300000000, -0.0029002700000000 ] - [ -0.0009015100000000, -0.0003866200000000, 0.0036083000000000 ] - [ -0.0000269400000000, -0.0002802700000000, 0.0005539300000000 ] - [ 0.0036785800000000, -0.0023051500000000, 0.0053323300000000 ] - [ -0.0005072300000000, -0.0006198600000000, -0.0009540400000000 ] - [ 0.0003950900000000, 0.0005853800000000, 0.0002058100000000 ] - [ 0.0008992800000000, -0.0001454500000000, 0.0020567200000000 ] - [ -0.0000550700000000, -0.0002824700000000, 0.0008985900000000 ] - [ -0.0026145300000000, -0.0008454800000000, 0.0011517600000000 ] - [ -0.0046263900000000, -0.0126310900000000, -0.0045517700000000 ] - [ 0.0005363800000000, 0.0008770600000000, 0.0003687900000000 ] - [ 0.0002851700000000, -0.0001927500000000, 0.0000435200000000 ] - [ 0.0004321100000000, -0.0000885400000000, -0.0004135800000000 ] - [ -0.0082801800000000, 0.0066875300000000, -0.0001992500000000 ] - [ 0.0002188900000000, -0.0002872700000000, 0.0000513700000000 ] - [ 0.0171038400000000, 0.0010860200000000, 0.0273847100000000 ] - [ -0.0001001000000000, 0.0003240700000000, -0.0000380800000000 ] - [ -0.0008358100000000, -0.0022777500000000, 0.0011514200000000 ] - [ -0.0000729000000000, 0.0003166400000000, -0.0001695400000000 ] - [ -0.0018272800000000, -0.0004298300000000, 0.0003069900000000 ] - [ 0.0009709100000000, -0.0007913700000000, -0.0003092800000000 ] - [ -0.0020145800000000, -0.0014772100000000, 0.0019178700000000 ] - [ 0.0019285200000000, 0.0005891000000000, 0.0007772900000000 ] - [ -0.0002831400000000, -0.0002007300000000, 0.0003450900000000 ] - [ -0.0006859900000000, -0.0005093200000000, 0.0012016900000000 ] - [ 0.0003608400000000, -0.0000681400000000, 0.0001878700000000 ] - [ -0.0001069800000000, 0.0001715200000000, 0.0001681500000000 ] - [ -0.0008246900000000, -0.0013892000000000, 0.0013578200000000 ] - [ 0.0017102300000000, -0.0009471200000000, -0.0001250900000000 ] - [ -0.0005449100000000, -0.0003832800000000, -0.0007142100000000 ] - [ -0.0002086000000000, -0.0000563800000000, 0.0004875500000000 ] - [ -0.0002567300000000, 0.0004610500000000, -0.0000880100000000 ] - [ -0.0003720800000000, -0.0005039700000000, 0.0001501400000000 ] - [ -0.0004459000000000, 0.0004553800000000, 0.0001790000000000 ] - [ -0.0060037600000000, 0.0123327700000000, 0.0395905700000000 ] - [ 0.0002346200000000, 0.0013915000000000, -0.0002011900000000 ] - [ 0.0005443600000000, 0.0009362500000000, 0.0003292300000000 ] - [ 0.0002936200000000, -0.0010294000000000, -0.0001287600000000 ] - [ 0.0000355000000000, -0.0007326000000000, 0.0002063300000000 ] - [ 0.0153692900000000, 0.0021159200000000, -0.0053948900000000 ] - [ 0.0006991400000000, 0.0005912400000000, 0.0003932100000000 ] - [ -0.0001614000000000, 0.0000537700000000, 0.0008317000000000 ] - [ 0.0014944900000000, 0.0001208800000000, 0.0005076500000000 ] - [ 0.0001290700000000, 0.0003139800000000, 0.0000456000000000 ] - [ -0.0039101700000000, -0.0004094700000000, 0.0004508700000000 ] - [ -0.0042212400000000, -0.0010634500000000, -0.0190356700000000 ] - [ 0.0005112300000000, -0.0005706000000000, 0.0003316100000000 ] - [ -0.0138590900000000, 0.0062093200000000, -0.0065251500000000 ] - [ -0.0002969800000000, -0.0003708000000000, -0.0000741700000000 ] - [ 0.0001723300000000, -0.0003730900000000, -0.0001411000000000 ] - [ 0.0002152500000000, 0.0002041000000000, 0.0004038900000000 ] - [ -0.0006198100000000, 0.0008663100000000, 0.0004200400000000 ] - [ 0.0018765200000000, 0.0004972400000000, -0.0030441100000000 ] - [ 0.0002066600000000, -0.0000326800000000, -0.0002696700000000 ] - [ -0.0001362900000000, -0.0000756300000000, 0.0006757600000000 ] - [ 0.0001671000000000, -0.0006430000000000, -0.0000843900000000 ] - [ -0.0093531400000000, 0.0009870800000000, 0.0108687500000000 ] - [ 0.0002895100000000, -0.0055444100000000, 0.0025321400000000 ] - [ -0.0001446900000000, 0.0001070700000000, 0.0002397000000000 ] - [ -0.0005038800000000, 0.0005100800000000, 0.0002868400000000 ] - [ -0.0004645500000000, 0.0009565700000000, -0.0009210700000000 ] - [ -0.0003594400000000, -0.0000722100000000, -0.0002519000000000 ] - [ 0.0009165600000000, -0.0001281200000000, 0.0028891700000000 ] - [ -0.0149989700000000, 0.0001594200000000, 0.0093033100000000 ] - [ -0.0012800300000000, -0.0009213700000000, -0.0012479800000000 ] - [ -0.0009835800000000, 0.0005755600000000, 0.0007876200000000 ] - [ -0.0001989800000000, 0.0000745100000000, -0.0003859000000000 ] - [ 0.0002141600000000, 0.0002635100000000, -0.0004460600000000 ] - [ -0.0000221600000000, 0.0001937400000000, -0.0000830800000000 ] - [ -0.0001688400000000, 0.0003492500000000, 0.0000348100000000 ] - [ -0.0001916500000000, -0.0013142100000000, 0.0011764400000000 ] - [ -0.0017545300000000, 0.0022990800000000, -0.0009725800000000 ] - [ -0.0007208100000000, 0.0000543400000000, -0.0021528600000000 ] - [ 0.0019679900000000, 0.0008552600000000, -0.0024416100000000 ] - [ -0.0014636400000000, 0.0015060800000000, 0.0022607500000000 ] - [ 0.0018375400000000, 0.0034119900000000, -0.0005333400000000 ] - [ 0.0004652800000000, 0.0002957700000000, 0.0002012400000000 ] - [ -0.0014965100000000, -0.0005208900000000, -0.0018182800000000 ] - [ -0.0002274300000000, -0.0003233000000000, -0.0003333700000000 ] - [ 0.0010526000000000, -0.0002652900000000, 0.0004703600000000 ] - [ -0.0084203800000000, -0.0023142100000000, 0.0110763700000000 ] - [ -0.0012899600000000, -0.0010121600000000, -0.0016832900000000 ] - [ -0.0007393900000000, 0.0014042000000000, 0.0016950200000000 ] - [ -0.0001738900000000, 0.0007603600000000, 0.0002846300000000 ] - [ 0.0013363900000000, -0.0005335700000000, -0.0019081500000000 ] - [ 0.0005601800000000, 0.0009614400000000, -0.0014152800000000 ] - [ 0.0005002500000000, -0.0003875000000000, 0.0003090300000000 ] - [ -0.0090974400000000, -0.0025369200000000, 0.0221599800000000 ] - [ 0.0005544400000000, 0.0002715500000000, 0.0002868600000000 ] - [ 0.0045463100000000, 0.0040939700000000, 0.0005977200000000 ] - [ -0.0008903300000000, -0.0004122100000000, 0.0012745100000000 ] - [ -0.0006455300000000, 0.0002127300000000, -0.0013831500000000 ] - [ -0.0014460500000000, 0.0002429100000000, -0.0014558000000000 ] - [ 0.0001724500000000, 0.0005972900000000, -0.0003919100000000 ] - [ -0.0084542500000000, 0.0018500100000000, 0.0126826100000000 ] - [ 0.0023469200000000, 0.0007435600000000, 0.0011182800000000 ] - [ 0.0003521100000000, 0.0006779300000000, -0.0008784900000000 ] - [ 0.0006347900000000, -0.0010696800000000, -0.0020750200000000 ] - [ -0.0001186300000000, -0.0002286800000000, -0.0005049800000000 ] - [ -0.0002320500000000, -0.0001138100000000, -0.0006773200000000 ] - [ 0.0000140700000000, -0.0006029700000000, -0.0000990300000000 ] - [ 0.0006897200000000, 0.0011237400000000, -0.0002767300000000 ] - [ -0.0000475700000000, 0.0000659200000000, -0.0004789800000000 ] - [ -0.0005551100000000, -0.0000212600000000, 0.0000934800000000 ] - [ -0.0000222800000000, 0.0010879000000000, -0.0006002000000000 ] - [ 0.0002615300000000, 0.0000416700000000, -0.0002517800000000 ] - [ 0.0013231500000000, 0.0028640500000000, 0.0004046800000000 ] - [ -0.0006019400000000, -0.0014011900000000, -0.0021625400000000 ] - [ 0.0016813900000000, 0.0003164000000000, -0.0021784000000000 ] - [ -0.0007650300000000, 0.0006688400000000, -0.0007570900000000 ] - [ -0.0003854100000000, 0.0004390300000000, 0.0008170100000000 ] - [ 0.0001784300000000, 0.0000592600000000, -0.0003313300000000 ] - [ 0.0011424800000000, 0.0004567200000000, -0.0003568200000000 ] - [ 0.0044308200000000, -0.0000271500000000, 0.0007773700000000 ] - [ -0.0006908800000000, -0.0009903800000000, 0.0001521000000000 ] - [ 0.0001578100000000, -0.0002517500000000, 0.0005024300000000 ] - [ 0.0018030100000000, -0.0001383600000000, -0.0013089200000000 ] - [ 0.0006588500000000, -0.0014494100000000, 0.0002092900000000 ] - [ 0.0002864800000000, -0.0005837700000000, 0.0003774000000000 ] - [ 0.0002315400000000, 0.0001214700000000, -0.0004654200000000 ] - [ 0.0017442000000000, 0.0004045600000000, -0.0009667100000000 ] - [ 0.0000431800000000, 0.0019074100000000, -0.0022765500000000 ] - [ 0.0015592600000000, -0.0006682100000000, 0.0017686100000000 ] - [ -0.0080991800000000, 0.0005988400000000, 0.0572639400000000 ] - [ 0.0130941800000000, -0.0108804400000000, -0.0116177100000000 ] - [ -0.0024535600000000, -0.0045192300000000, -0.0140446600000000 ] - [ 0.0005455000000000, 0.0007124500000000, -0.0016799900000000 ] - [ -0.0024586600000000, 0.0054700600000000, 0.0082732700000000 ] - [ 0.0001543200000000, -0.0002913500000000, -0.0001504300000000 ] - [ 0.0003075900000000, -0.0000583000000000, -0.0002952400000000 ] - [ -0.0005313300000000, 0.0000732800000000, 0.0004469500000000 ] - [ 0.0001183400000000, -0.0001764400000000, -0.0003995800000000 ] - [ -0.0001038800000000, 0.0001424600000000, -0.0003514000000000 ] - [ -0.0000537300000000, -0.0014624000000000, -0.0010366200000000 ] - [ 0.0000433400000000, -0.0004773600000000, -0.0004525600000000 ] - [ 0.0016016600000000, -0.0014875700000000, 0.0002214600000000 ]- atom: 25 displacement: [ 0.0035230240541542, 0.0000000000000000, -0.0093588621911988 ] forces: - [ 0.0111740400000000, 0.0019424700000000, -0.0019810400000000 ] - [ -0.0000950800000000, 0.0006816500000000, -0.0004925300000000 ] - [ 0.0003715300000000, -0.0002089500000000, -0.0003548500000000 ] - [ 0.0008329100000000, -0.0007805700000000, -0.0005581700000000 ] - [ -0.0002323600000000, -0.0007757600000000, -0.0002226700000000 ] - [ -0.0001334400000000, -0.0000175000000000, -0.0000268400000000 ] - [ 0.0000577400000000, -0.0000763600000000, -0.0003142400000000 ] - [ 0.0003634900000000, 0.0007173800000000, 0.0006015300000000 ] - [ 0.0004535200000000, 0.0043722100000000, -0.0032099100000000 ] - [ -0.0000560000000000, 0.0000027600000000, 0.0002019400000000 ] - [ -0.0072615500000000, 0.0025597700000000, -0.0004487200000000 ] - [ -0.0026671600000000, -0.0009016500000000, 0.0017499000000000 ] - [ 0.0020711800000000, 0.0012892700000000, -0.0030844800000000 ] - [ 0.0091266200000000, -0.0054548900000000, -0.0082675000000000 ] - [ 0.0000341700000000, 0.0001116200000000, -0.0001636900000000 ] - [ -0.0020670700000000, -0.0013217500000000, -0.0010065300000000 ] - [ -0.0000647800000000, -0.0003349000000000, 0.0001162500000000 ] - [ -0.0004796900000000, 0.0000187700000000, -0.0002213100000000 ] - [ 0.0001925000000000, 0.0004412200000000, 0.0001888200000000 ] - [ 0.0000244800000000, 0.0004916000000000, -0.0004694400000000 ] - [ -0.0001141400000000, -0.0073626100000000, 0.0008160900000000 ] - [ -0.0000017200000000, 0.0005858600000000, -0.0001724900000000 ] - [ -0.0000947500000000, -0.0001668800000000, 0.0001623600000000 ] - [ -0.0002883800000000, -0.0014765800000000, -0.0010385700000000 ] - [ -0.0580436000000000, -0.0064099900000000, 0.1593090900000000 ] - [ 0.0089901900000000, -0.0008485200000000, 0.0044894100000000 ] - [ -0.0009018700000000, -0.0014919300000000, 0.0008262900000000 ] - [ 0.0000264700000000, -0.0000906200000000, -0.0000444900000000 ] - [ 0.0005614900000000, -0.0004129400000000, -0.0026084600000000 ] - [ 0.0019035900000000, -0.0028128300000000, 0.0034516700000000 ] - [ 0.0001669600000000, 0.0029012800000000, 0.0026481500000000 ] - [ -0.0001440200000000, -0.0008648300000000, 0.0017495100000000 ] - [ 0.0065723800000000, -0.0041110100000000, -0.0057301700000000 ] - [ -0.0009628000000000, -0.0000025700000000, -0.0018089700000000 ] - [ -0.0006921000000000, -0.0004391000000000, -0.0085095200000000 ] - [ 0.0010666400000000, -0.0005025800000000, -0.0115470200000000 ] - [ 0.0003897500000000, 0.0009241100000000, -0.0006456700000000 ] - [ 0.0032395500000000, -0.0013278400000000, 0.0020615800000000 ] - [ -0.0002580900000000, -0.0000074300000000, 0.0004429100000000 ] - [ -0.0119305000000000, 0.0187461900000000, 0.0063652400000000 ] - [ 0.0014023900000000, 0.0027552900000000, 0.0027884400000000 ] - [ 0.0014109800000000, 0.0006927600000000, -0.0027029000000000 ] - [ 0.0001394100000000, -0.0000862600000000, -0.0004761400000000 ] - [ -0.0040669700000000, 0.0025062300000000, -0.0052347800000000 ] - [ 0.0001342700000000, 0.0004403500000000, 0.0010423200000000 ] - [ -0.0000032400000000, 0.0004427100000000, -0.0008619500000000 ] - [ -0.0008132800000000, 0.0006075800000000, -0.0017709600000000 ] - [ -0.0001267900000000, -0.0000341900000000, -0.0000408200000000 ] - [ 0.0022795800000000, 0.0003588500000000, -0.0011992300000000 ] - [ 0.0046302200000000, 0.0129700500000000, 0.0047648500000000 ] - [ -0.0001077600000000, -0.0008121100000000, -0.0010417900000000 ] - [ 0.0000068200000000, 0.0000497000000000, 0.0004950800000000 ] - [ -0.0000154900000000, 0.0007740300000000, 0.0001891800000000 ] - [ 0.0079322000000000, -0.0060501900000000, 0.0004222300000000 ] - [ 0.0001123400000000, -0.0001865100000000, -0.0000028300000000 ] - [ -0.0168882600000000, -0.0017619200000000, -0.0280911400000000 ] - [ 0.0001288000000000, 0.0002844500000000, -0.0001763000000000 ] - [ 0.0012474900000000, 0.0016136000000000, -0.0013837700000000 ] - [ 0.0000051900000000, 0.0000710000000000, 0.0000066900000000 ] - [ 0.0017987000000000, -0.0001757000000000, -0.0000918100000000 ] - [ -0.0012642400000000, 0.0009317300000000, -0.0002500100000000 ] - [ 0.0023156400000000, 0.0016247100000000, -0.0013680600000000 ] - [ -0.0019567300000000, 0.0000067700000000, -0.0005619300000000 ] - [ -0.0001324300000000, -0.0004765600000000, -0.0001164800000000 ] - [ 0.0004057200000000, 0.0003678300000000, -0.0017245900000000 ] - [ -0.0001035800000000, -0.0001859100000000, -0.0003042400000000 ] - [ -0.0001500300000000, 0.0000951000000000, -0.0000219500000000 ] - [ 0.0011103300000000, 0.0021597500000000, -0.0018247100000000 ] - [ -0.0020060200000000, 0.0017237500000000, 0.0005934200000000 ] - [ 0.0007959000000000, 0.0006466800000000, 0.0005564500000000 ] - [ -0.0002254700000000, -0.0000206400000000, 0.0002155000000000 ] - [ 0.0005868300000000, 0.0000192400000000, 0.0001363100000000 ] - [ 0.0000812400000000, -0.0002619400000000, 0.0003031200000000 ] - [ 0.0000087500000000, -0.0003782600000000, 0.0005133700000000 ] - [ 0.0064388700000000, -0.0123546200000000, -0.0399246600000000 ] - [ -0.0004903700000000, -0.0016465600000000, 0.0003315000000000 ] - [ -0.0006053000000000, -0.0013040700000000, -0.0004908800000000 ] - [ -0.0002641400000000, 0.0004296900000000, -0.0000865200000000 ] - [ 0.0000298200000000, 0.0003454000000000, -0.0000436600000000 ] - [ -0.0157073800000000, -0.0013981000000000, 0.0054041600000000 ] - [ -0.0001754400000000, 0.0001948800000000, -0.0003313100000000 ] - [ 0.0000278100000000, -0.0000730800000000, 0.0000288500000000 ] - [ -0.0020507500000000, -0.0003170800000000, -0.0000349300000000 ] - [ -0.0004246000000000, 0.0004370200000000, -0.0002884200000000 ] - [ 0.0039662800000000, 0.0002262100000000, 0.0001945100000000 ] - [ 0.0046792600000000, 0.0011445000000000, 0.0191831500000000 ] - [ -0.0000554000000000, 0.0004846200000000, -0.0005698400000000 ] - [ 0.0133719300000000, -0.0061782700000000, 0.0063587700000000 ] - [ -0.0000867800000000, 0.0002902700000000, 0.0004594600000000 ] - [ 0.0003503000000000, -0.0004175400000000, 0.0002010500000000 ] - [ 0.0000327600000000, -0.0000701500000000, -0.0001078200000000 ] - [ 0.0003687100000000, 0.0002016500000000, -0.0000696200000000 ] - [ -0.0023729400000000, 0.0000027600000000, 0.0038795400000000 ] - [ 0.0003671300000000, 0.0000061500000000, 0.0008419000000000 ] - [ -0.0000187900000000, -0.0011354200000000, -0.0003335800000000 ] - [ 0.0000599000000000, -0.0004691300000000, -0.0002829300000000 ] - [ 0.0096599000000000, -0.0002330000000000, -0.0105857800000000 ] - [ -0.0001535500000000, 0.0044036300000000, -0.0028875000000000 ] - [ -0.0002380500000000, -0.0000309300000000, 0.0001368700000000 ] - [ 0.0001011800000000, 0.0003578000000000, -0.0003384800000000 ] - [ 0.0005958300000000, -0.0009308000000000, 0.0000800400000000 ] - [ -0.0002167100000000, 0.0000945100000000, -0.0003428900000000 ] - [ -0.0003348200000000, 0.0001559000000000, -0.0022744800000000 ] - [ 0.0149059500000000, -0.0012098700000000, -0.0087878100000000 ] - [ 0.0015324700000000, -0.0001382900000000, 0.0008997300000000 ] - [ 0.0007175300000000, -0.0004622000000000, -0.0005735600000000 ] - [ -0.0002688600000000, -0.0000042800000000, 0.0001914100000000 ] - [ 0.0002680000000000, 0.0002385200000000, -0.0003905800000000 ] - [ 0.0002858300000000, -0.0003070100000000, -0.0001171300000000 ] - [ -0.0001581200000000, 0.0001947400000000, 0.0005499500000000 ] - [ -0.0001362200000000, 0.0007585500000000, -0.0005785000000000 ] - [ 0.0023048700000000, -0.0023908900000000, 0.0011742400000000 ] - [ 0.0010469200000000, 0.0004912900000000, 0.0015761300000000 ] - [ -0.0018851500000000, -0.0007757900000000, 0.0031032700000000 ] - [ 0.0009816700000000, -0.0020049700000000, -0.0013961900000000 ] - [ -0.0015757300000000, -0.0033105300000000, 0.0003217800000000 ] - [ 0.0000809400000000, -0.0002147300000000, 0.0000083400000000 ] - [ 0.0018147100000000, 0.0006260400000000, 0.0021508100000000 ] - [ -0.0000689200000000, -0.0004349100000000, 0.0000894700000000 ] - [ -0.0007417700000000, 0.0001595300000000, -0.0001343700000000 ] - [ 0.0080072100000000, 0.0029139000000000, -0.0111792100000000 ] - [ 0.0010007200000000, 0.0007818100000000, 0.0020144800000000 ] - [ 0.0004210800000000, -0.0015108300000000, -0.0020312500000000 ] - [ 0.0003733400000000, -0.0004345300000000, -0.0001643700000000 ] - [ -0.0017388000000000, -0.0003495100000000, 0.0018556000000000 ] - [ -0.0008029400000000, -0.0010922300000000, 0.0011300900000000 ] - [ -0.0005800500000000, 0.0003116900000000, -0.0009687000000000 ] - [ 0.0089858000000000, 0.0035015100000000, -0.0246683400000000 ] - [ 0.0003914000000000, -0.0001258700000000, -0.0001612900000000 ] - [ -0.0035766500000000, -0.0035029200000000, -0.0007299700000000 ] - [ 0.0004200300000000, 0.0003389300000000, -0.0014581700000000 ] - [ 0.0003784000000000, -0.0003269100000000, 0.0015771900000000 ] - [ 0.0012444700000000, -0.0005603300000000, 0.0013294300000000 ] - [ -0.0000210600000000, 0.0005935500000000, 0.0000574800000000 ] - [ 0.0075043000000000, -0.0016569400000000, -0.0128219900000000 ] - [ -0.0021012000000000, 0.0003375000000000, -0.0014594500000000 ] - [ 0.0006033800000000, -0.0008385200000000, 0.0010057300000000 ] - [ -0.0002508900000000, 0.0010103000000000, 0.0016815600000000 ] - [ 0.0003430100000000, 0.0013253100000000, 0.0001376700000000 ] - [ -0.0007147200000000, -0.0000324000000000, 0.0005517700000000 ] - [ -0.0002640000000000, -0.0004734700000000, 0.0004493100000000 ] - [ -0.0012316300000000, -0.0012035700000000, 0.0000767200000000 ] - [ -0.0000328300000000, 0.0000055800000000, -0.0001858300000000 ] - [ -0.0000171700000000, 0.0002126900000000, 0.0003560400000000 ] - [ -0.0002052300000000, 0.0000235100000000, 0.0009653100000000 ] - [ 0.0001954000000000, 0.0000416800000000, 0.0000047400000000 ] - [ -0.0015533000000000, -0.0029998800000000, 0.0000600000000000 ] - [ -0.0003393500000000, 0.0008244500000000, 0.0022856000000000 ] - [ -0.0021994200000000, -0.0010947800000000, 0.0021110600000000 ] - [ 0.0010126900000000, -0.0008116500000000, 0.0010435800000000 ] - [ 0.0006197200000000, -0.0005906200000000, -0.0012587700000000 ] - [ 0.0000542900000000, 0.0000868600000000, -0.0000988300000000 ] - [ -0.0006637200000000, -0.0009614300000000, -0.0004909300000000 ] - [ -0.0040644700000000, 0.0009048200000000, -0.0007075200000000 ] - [ 0.0002452200000000, 0.0009081800000000, 0.0000771300000000 ] - [ -0.0004437400000000, 0.0004654700000000, -0.0001689000000000 ] - [ -0.0015076200000000, -0.0006040500000000, 0.0015552700000000 ] - [ -0.0001845900000000, 0.0013838500000000, -0.0000387100000000 ] - [ 0.0000302000000000, 0.0000262100000000, -0.0009878100000000 ] - [ 0.0000587900000000, -0.0003404700000000, 0.0001319900000000 ] - [ -0.0016230400000000, -0.0004205900000000, 0.0000833400000000 ] - [ -0.0001918100000000, -0.0007287500000000, 0.0026182400000000 ] - [ -0.0017522900000000, 0.0009989600000000, -0.0018869700000000 ] - [ 0.0082610100000000, -0.0003168700000000, -0.0535019300000000 ] - [ -0.0134913100000000, 0.0109138100000000, 0.0117969700000000 ] - [ 0.0022340500000000, 0.0046625500000000, 0.0145446800000000 ] - [ -0.0006794400000000, -0.0006982600000000, 0.0025284200000000 ] - [ 0.0027653900000000, -0.0052046200000000, -0.0086339400000000 ] - [ 0.0000457700000000, -0.0000410300000000, 0.0002714800000000 ] - [ 0.0006278900000000, -0.0005054300000000, 0.0001656700000000 ] - [ -0.0004011200000000, 0.0004825900000000, -0.0003178800000000 ] - [ 0.0004477800000000, -0.0000238500000000, -0.0000693800000000 ] - [ -0.0002121100000000, -0.0000444000000000, 0.0000181100000000 ] - [ -0.0005219000000000, 0.0014257600000000, 0.0004502700000000 ] - [ 0.0003606700000000, -0.0003940200000000, 0.0005017000000000 ] - [ -0.0010269900000000, 0.0016782500000000, -0.0006739900000000 ]- atom: 26 displacement: [ 0.0099999639143206, 0.0000000000000000, -0.0000268647033593 ] forces: - [ 0.0071685400000000, -0.0013007100000000, 0.0060233300000000 ] - [ 0.0001560100000000, 0.0001596400000000, 0.0000666100000000 ] - [ 0.0003121400000000, 0.0000633400000000, 0.0000233600000000 ] - [ -0.0010365200000000, -0.0006781800000000, -0.0003598800000000 ] - [ 0.0001858800000000, -0.0004045400000000, -0.0002343100000000 ] - [ -0.0000633800000000, -0.0000938300000000, -0.0001051900000000 ] - [ -0.0002807500000000, 0.0001191000000000, -0.0000832200000000 ] - [ 0.0008883100000000, 0.0001529400000000, 0.0000834400000000 ] - [ 0.0008977400000000, 0.0002745500000000, -0.0002658000000000 ] - [ -0.0000814100000000, -0.0001503600000000, -0.0000337500000000 ] - [ 0.0020628900000000, 0.0033799900000000, -0.0070542400000000 ] - [ 0.0079463900000000, -0.0019180500000000, -0.0074204100000000 ] - [ 0.0003205700000000, -0.0002489000000000, 0.0009017200000000 ] - [ 0.0019355700000000, 0.0027942400000000, 0.0064311200000000 ] - [ -0.0002791500000000, -0.0000486700000000, 0.0000851200000000 ] - [ -0.0005189500000000, -0.0002523700000000, -0.0007417900000000 ] - [ -0.0000117000000000, -0.0002115100000000, -0.0000052700000000 ] - [ -0.0004742900000000, -0.0000927900000000, -0.0001955500000000 ] - [ -0.0037446000000000, 0.0025788000000000, -0.0011274700000000 ] - [ -0.0004947100000000, 0.0002742700000000, 0.0001549400000000 ] - [ 0.0024166700000000, -0.0000902400000000, -0.0004441700000000 ] - [ -0.0000651600000000, 0.0001176800000000, -0.0000401800000000 ] - [ -0.0007061200000000, -0.0002833800000000, -0.0000672300000000 ] - [ 0.0004812300000000, 0.0002380300000000, 0.0001784300000000 ] - [ 0.0259069600000000, 0.0026545100000000, 0.0005979300000000 ] - [ -0.1505110000000000, 0.0057059300000000, 0.0054470900000000 ] - [ 0.0009340900000000, -0.0004419600000000, 0.0003847900000000 ] - [ -0.0008729200000000, -0.0004466500000000, -0.0004647600000000 ] - [ -0.0001067900000000, 0.0002740100000000, 0.0007219100000000 ] - [ 0.0001539800000000, 0.0062066800000000, -0.0003071900000000 ] - [ 0.0010950500000000, -0.0077784600000000, 0.0010748500000000 ] - [ 0.0003963300000000, 0.0042661200000000, 0.0007170200000000 ] - [ 0.0001496600000000, 0.0004106900000000, 0.0015555300000000 ] - [ -0.0002349500000000, 0.0002141900000000, -0.0011091500000000 ] - [ 0.0000008700000000, -0.0002416600000000, 0.0002355700000000 ] - [ 0.0002565100000000, -0.0002527400000000, -0.0021195600000000 ] - [ 0.0002708600000000, -0.0003305800000000, 0.0002996600000000 ] - [ -0.0168390600000000, 0.0088774800000000, 0.0058773500000000 ] - [ 0.0004707400000000, -0.0006033200000000, -0.0002260500000000 ] - [ 0.0087946400000000, -0.0006300200000000, 0.0003006100000000 ] - [ 0.0075505900000000, -0.0080909000000000, -0.0004300200000000 ] - [ 0.0001897400000000, 0.0002513400000000, 0.0013514100000000 ] - [ 0.0000792700000000, -0.0003004700000000, 0.0001047800000000 ] - [ 0.0007065200000000, 0.0005962100000000, -0.0011082500000000 ] - [ -0.0012724700000000, -0.0010606400000000, 0.0006721800000000 ] - [ 0.0002743800000000, 0.0000283100000000, -0.0007044200000000 ] - [ 0.0001361500000000, 0.0002966000000000, -0.0010641700000000 ] - [ -0.0000845000000000, -0.0002587100000000, 0.0004154800000000 ] - [ -0.0002252200000000, -0.0002737700000000, 0.0001462800000000 ] - [ 0.0166697600000000, -0.0386397000000000, 0.0001853800000000 ] - [ 0.0009749300000000, 0.0004315200000000, 0.0004836400000000 ] - [ 0.0003041600000000, -0.0001604800000000, 0.0001678100000000 ] - [ 0.0004830600000000, -0.0006130800000000, -0.0005590900000000 ] - [ 0.0267653700000000, 0.0110237300000000, -0.0064608600000000 ] - [ 0.0001348800000000, -0.0003333900000000, -0.0000022200000000 ] - [ 0.0034963800000000, -0.0008230800000000, 0.0022588700000000 ] - [ 0.0000234300000000, 0.0002076000000000, -0.0000828000000000 ] - [ 0.0002175200000000, -0.0003205000000000, -0.0001010200000000 ] - [ -0.0002810000000000, 0.0003143200000000, -0.0000956300000000 ] - [ -0.0343279500000000, -0.0147026400000000, 0.0040564300000000 ] - [ -0.0010242600000000, 0.0007838200000000, -0.0010602700000000 ] - [ -0.0002167100000000, -0.0004262100000000, 0.0015485800000000 ] - [ 0.0001924200000000, 0.0002594800000000, -0.0001902500000000 ] - [ -0.0002044700000000, -0.0003364500000000, 0.0001395900000000 ] - [ -0.0014405500000000, 0.0001193900000000, -0.0049487900000000 ] - [ 0.0006774500000000, -0.0021258900000000, -0.0018759100000000 ] - [ 0.0000097000000000, -0.0000137300000000, 0.0001837800000000 ] - [ -0.0003334500000000, -0.0011294400000000, 0.0016908800000000 ] - [ -0.0001215600000000, 0.0004233400000000, -0.0004443000000000 ] - [ -0.0006735200000000, -0.0005372300000000, -0.0003313100000000 ] - [ -0.0004531100000000, -0.0001725900000000, 0.0003699600000000 ] - [ -0.0010342000000000, 0.0007187500000000, -0.0000353300000000 ] - [ -0.0004021500000000, -0.0005530500000000, 0.0002537300000000 ] - [ -0.0008687600000000, -0.0001472100000000, -0.0011759700000000 ] - [ 0.0023401600000000, -0.0019418300000000, -0.0030000900000000 ] - [ 0.0010596400000000, 0.0009596900000000, 0.0005738600000000 ] - [ -0.0000851100000000, -0.0000792400000000, -0.0001525300000000 ] - [ 0.0008626900000000, -0.0004333300000000, -0.0002071600000000 ] - [ 0.0000199400000000, -0.0001968800000000, 0.0000812100000000 ] - [ 0.0049691700000000, 0.0009208600000000, -0.0003346100000000 ] - [ 0.0015362000000000, 0.0009084900000000, 0.0002539500000000 ] - [ -0.0001916700000000, 0.0000613300000000, 0.0005485400000000 ] - [ 0.0011818100000000, 0.0010463700000000, 0.0006505400000000 ] - [ 0.0006393000000000, 0.0001204200000000, -0.0002221600000000 ] - [ -0.0027534700000000, -0.0010235500000000, 0.0006660200000000 ] - [ -0.0005340700000000, 0.0005342200000000, 0.0016988700000000 ] - [ 0.0030414200000000, -0.0004798700000000, 0.0003033000000000 ] - [ -0.0036194600000000, 0.0002709700000000, -0.0000731600000000 ] - [ -0.0001386700000000, 0.0001115800000000, 0.0011259500000000 ] - [ 0.0002588200000000, -0.0003493900000000, 0.0000674500000000 ] - [ 0.0003444200000000, 0.0002281500000000, 0.0001675500000000 ] - [ -0.0010665600000000, 0.0005972200000000, 0.0003047500000000 ] - [ 0.0014662100000000, 0.0007529200000000, 0.0024680600000000 ] - [ 0.0003606900000000, 0.0004742400000000, 0.0016223300000000 ] - [ 0.0000002300000000, 0.0011071900000000, 0.0000119600000000 ] - [ 0.0002375000000000, -0.0005563700000000, -0.0001732100000000 ] - [ -0.0058391000000000, -0.0004520600000000, 0.0001432500000000 ] - [ -0.0068988900000000, -0.0095359300000000, 0.0038995900000000 ] - [ -0.0000419700000000, 0.0001382300000000, 0.0001535000000000 ] - [ -0.0007139200000000, 0.0007540700000000, 0.0001093500000000 ] - [ 0.0001685500000000, -0.0003298800000000, 0.0004910300000000 ] - [ -0.0004401800000000, 0.0001096700000000, -0.0003938000000000 ] - [ 0.0097817800000000, -0.0001257100000000, -0.0009704500000000 ] - [ 0.0439413900000000, 0.0033272300000000, -0.0006536800000000 ] - [ -0.0000325400000000, -0.0005561000000000, -0.0000243400000000 ] - [ 0.0009754600000000, -0.0006396500000000, 0.0000887300000000 ] - [ -0.0001210300000000, 0.0000984300000000, -0.0000967700000000 ] - [ 0.0001521100000000, 0.0003151500000000, -0.0003671400000000 ] - [ -0.0000668900000000, 0.0000842300000000, -0.0000643100000000 ] - [ -0.0002440800000000, 0.0003668400000000, 0.0002360400000000 ] - [ -0.0006410400000000, -0.0007744100000000, 0.0001807500000000 ] - [ -0.0004264800000000, -0.0000625400000000, 0.0004164300000000 ] - [ 0.0008766000000000, 0.0006305800000000, 0.0002831400000000 ] - [ 0.0001236500000000, 0.0001296000000000, 0.0000923300000000 ] - [ -0.0003679300000000, -0.0014861900000000, 0.0012554800000000 ] - [ -0.0006445900000000, 0.0008577100000000, -0.0013426600000000 ] - [ 0.0004018100000000, 0.0003238500000000, 0.0000090200000000 ] - [ -0.0000315800000000, 0.0001278500000000, 0.0005559100000000 ] - [ -0.0001414600000000, -0.0003164800000000, -0.0000789200000000 ] - [ 0.0079744800000000, 0.0044663100000000, -0.0008672900000000 ] - [ -0.0049031200000000, -0.0028460200000000, -0.0002968800000000 ] - [ -0.0001314000000000, -0.0002433500000000, 0.0006112500000000 ] - [ -0.0022028600000000, 0.0000618900000000, -0.0003445800000000 ] - [ -0.0010352500000000, 0.0012807000000000, -0.0000007700000000 ] - [ -0.0001941500000000, -0.0004901800000000, -0.0002238800000000 ] - [ -0.0004281800000000, 0.0002540500000000, -0.0012636300000000 ] - [ 0.0021115300000000, -0.0010388000000000, -0.0003103300000000 ] - [ -0.0047542600000000, 0.0008446600000000, -0.0038724000000000 ] - [ 0.0008108300000000, 0.0005325100000000, 0.0001827500000000 ] - [ 0.0104703000000000, 0.0156978300000000, 0.0017056700000000 ] - [ -0.0000772400000000, 0.0007967000000000, 0.0014487800000000 ] - [ -0.0002229300000000, -0.0004426400000000, 0.0019814200000000 ] - [ -0.0002037500000000, -0.0001494700000000, 0.0003635500000000 ] - [ 0.0001200400000000, 0.0006430900000000, -0.0002177500000000 ] - [ -0.0156690900000000, 0.0025209900000000, 0.0012912500000000 ] - [ 0.0275379200000000, -0.0007986900000000, -0.0003935800000000 ] - [ 0.0004493500000000, -0.0001028800000000, 0.0002657000000000 ] - [ 0.0003320900000000, -0.0003345000000000, -0.0011140000000000 ] - [ 0.0001247400000000, 0.0004742000000000, -0.0001999000000000 ] - [ -0.0004698200000000, -0.0000904600000000, -0.0002355700000000 ] - [ -0.0001408900000000, -0.0004677300000000, 0.0001083600000000 ] - [ 0.0002226500000000, 0.0006496200000000, -0.0005706300000000 ] - [ -0.0000400500000000, 0.0001962100000000, -0.0002488300000000 ] - [ -0.0011057800000000, 0.0012459100000000, 0.0004806700000000 ] - [ -0.0000900000000000, 0.0005593100000000, 0.0002614600000000 ] - [ 0.0004304500000000, 0.0002501300000000, -0.0001142900000000 ] - [ -0.0012001100000000, 0.0020329600000000, -0.0016939600000000 ] - [ -0.0004625700000000, -0.0003760900000000, -0.0000283800000000 ] - [ -0.0002513800000000, -0.0003705000000000, 0.0000102000000000 ] - [ 0.0001273400000000, -0.0002162300000000, 0.0005413000000000 ] - [ 0.0000803600000000, -0.0004987400000000, 0.0003508800000000 ] - [ 0.0002261600000000, 0.0001743600000000, -0.0002745300000000 ] - [ 0.0007303600000000, 0.0003801600000000, -0.0016803200000000 ] - [ 0.0147089400000000, 0.0006750800000000, -0.0005474500000000 ] - [ -0.0009167600000000, -0.0004640100000000, 0.0000858400000000 ] - [ 0.0005589000000000, -0.0000545300000000, 0.0002089600000000 ] - [ 0.0002154700000000, -0.0004207100000000, -0.0001192200000000 ] - [ 0.0005204600000000, -0.0011921200000000, -0.0010000700000000 ] - [ -0.0006720800000000, 0.0023869300000000, 0.0019867700000000 ] - [ 0.0001220500000000, -0.0000838000000000, -0.0002853200000000 ] - [ 0.0114898200000000, 0.0003355300000000, -0.0046122400000000 ] - [ -0.0002575800000000, 0.0006603400000000, 0.0002290000000000 ] - [ 0.0231488900000000, 0.0006156500000000, -0.0013263900000000 ] - [ -0.0040495000000000, 0.0000841800000000, 0.0037629800000000 ] - [ -0.0026862900000000, 0.0007197700000000, 0.0002666400000000 ] - [ -0.0011847100000000, -0.0000081800000000, -0.0009228100000000 ] - [ 0.0001245600000000, 0.0002545900000000, -0.0008428100000000 ] - [ -0.0110367100000000, 0.0117332100000000, -0.0015434100000000 ] - [ 0.0000962900000000, -0.0001056500000000, 0.0000266200000000 ] - [ 0.0005203000000000, -0.0002615600000000, 0.0000857000000000 ] - [ -0.0007156300000000, -0.0001410900000000, -0.0000272600000000 ] - [ 0.0000047100000000, 0.0000760500000000, -0.0002706500000000 ] - [ -0.0001802000000000, 0.0001891500000000, -0.0002314500000000 ] - [ -0.0008577700000000, -0.0002821000000000, -0.0011528700000000 ] - [ 0.0001362600000000, -0.0004606000000000, 0.0001819900000000 ] - [ 0.0002439400000000, -0.0015677100000000, -0.0020215200000000 ]- atom: 26 displacement: [ -0.0099999639143206, 0.0000000000000000, 0.0000268647033593 ] forces: - [ -0.0069333100000000, 0.0010587100000000, -0.0057704400000000 ] - [ -0.0002874400000000, 0.0002851700000000, -0.0001231000000000 ] - [ 0.0003080600000000, -0.0000718400000000, -0.0001657500000000 ] - [ 0.0011259200000000, 0.0000253600000000, 0.0006479900000000 ] - [ -0.0002777200000000, -0.0002603800000000, -0.0000412200000000 ] - [ -0.0001274100000000, -0.0001211900000000, -0.0000825900000000 ] - [ 0.0000901700000000, 0.0000984400000000, -0.0001031400000000 ] - [ -0.0000176900000000, 0.0001851400000000, 0.0001371300000000 ] - [ -0.0008376600000000, -0.0003903900000000, 0.0001542400000000 ] - [ 0.0000221900000000, 0.0002621600000000, 0.0001510400000000 ] - [ -0.0019475200000000, -0.0027436800000000, 0.0073849500000000 ] - [ -0.0077823400000000, 0.0014507300000000, 0.0073903700000000 ] - [ 0.0005598300000000, -0.0000934500000000, -0.0006858800000000 ] - [ -0.0018538800000000, -0.0027093900000000, -0.0066025800000000 ] - [ 0.0002196400000000, -0.0000605400000000, 0.0000309000000000 ] - [ -0.0000929500000000, 0.0002399600000000, 0.0008845300000000 ] - [ -0.0001202000000000, -0.0002287100000000, -0.0000480900000000 ] - [ -0.0003955100000000, -0.0002445900000000, -0.0000255000000000 ] - [ 0.0028549300000000, -0.0022667100000000, 0.0009023100000000 ] - [ 0.0006247200000000, 0.0001720200000000, -0.0001050900000000 ] - [ -0.0018001100000000, 0.0001090900000000, 0.0003111800000000 ] - [ -0.0000263400000000, 0.0005516000000000, -0.0002377500000000 ] - [ 0.0000848500000000, 0.0002974000000000, 0.0002124800000000 ] - [ -0.0002913600000000, -0.0000235400000000, 0.0000056700000000 ] - [ -0.0255632300000000, -0.0030051900000000, 0.0003094800000000 ] - [ 0.1525518300000000, -0.0067333400000000, -0.0055888200000000 ] - [ -0.0013215600000000, -0.0005878800000000, 0.0002805700000000 ] - [ 0.0003623000000000, 0.0001312100000000, -0.0004393100000000 ] - [ 0.0000236700000000, 0.0002031200000000, -0.0010028900000000 ] - [ 0.0000871700000000, -0.0058670400000000, -0.0005367400000000 ] - [ -0.0012574000000000, 0.0081159000000000, -0.0002168700000000 ] - [ -0.0002907000000000, -0.0038703500000000, -0.0006380400000000 ] - [ -0.0005612100000000, 0.0006141000000000, -0.0008750200000000 ] - [ -0.0002756200000000, 0.0001095600000000, 0.0002064200000000 ] - [ -0.0001201300000000, -0.0001318900000000, -0.0003387200000000 ] - [ -0.0000846200000000, -0.0000685700000000, 0.0013130700000000 ] - [ 0.0001022700000000, 0.0005188600000000, -0.0004022000000000 ] - [ 0.0171321400000000, -0.0099925100000000, -0.0065396200000000 ] - [ -0.0005529600000000, 0.0001356900000000, -0.0000540600000000 ] - [ -0.0084266700000000, 0.0004790700000000, -0.0004385700000000 ] - [ -0.0077103900000000, 0.0084326000000000, 0.0003611300000000 ] - [ 0.0003209000000000, 0.0000764300000000, -0.0004437100000000 ] - [ 0.0000335800000000, -0.0000669300000000, -0.0000304000000000 ] - [ -0.0011154500000000, -0.0004232800000000, 0.0012014500000000 ] - [ 0.0008927500000000, 0.0008927500000000, -0.0005789600000000 ] - [ 0.0001145100000000, 0.0010004100000000, 0.0000375900000000 ] - [ -0.0000525700000000, 0.0001843200000000, 0.0013464100000000 ] - [ -0.0000974700000000, -0.0000569800000000, 0.0004421200000000 ] - [ -0.0001024100000000, -0.0002071400000000, -0.0001919100000000 ] - [ -0.0167032400000000, 0.0396117300000000, -0.0000056100000000 ] - [ -0.0005267000000000, -0.0003527500000000, -0.0011762400000000 ] - [ -0.0000123900000000, 0.0000182300000000, 0.0003768900000000 ] - [ -0.0000721300000000, 0.0012924900000000, 0.0003328800000000 ] - [ -0.0270295400000000, -0.0101628400000000, 0.0066961800000000 ] - [ 0.0001962400000000, -0.0001432700000000, 0.0000504200000000 ] - [ -0.0032171200000000, 0.0000405600000000, -0.0027556200000000 ] - [ 0.0000049800000000, 0.0003991200000000, -0.0001318400000000 ] - [ 0.0001953400000000, -0.0003556900000000, -0.0001294600000000 ] - [ 0.0002200500000000, 0.0000742300000000, -0.0000667500000000 ] - [ 0.0341362700000000, 0.0142650100000000, -0.0038497800000000 ] - [ 0.0007403000000000, -0.0006433700000000, 0.0005094100000000 ] - [ 0.0005214300000000, 0.0005759400000000, -0.0010126900000000 ] - [ -0.0002259100000000, 0.0003448500000000, 0.0004048500000000 ] - [ -0.0002090800000000, -0.0003356000000000, 0.0000893100000000 ] - [ 0.0010882000000000, -0.0003083900000000, 0.0046000200000000 ] - [ -0.0004231700000000, 0.0018657900000000, 0.0017339200000000 ] - [ -0.0002667500000000, 0.0002773900000000, -0.0000443700000000 ] - [ 0.0006192400000000, 0.0018944300000000, -0.0021467900000000 ] - [ -0.0001790000000000, 0.0003489400000000, 0.0008962500000000 ] - [ 0.0008983300000000, 0.0007638200000000, 0.0000996300000000 ] - [ 0.0000177900000000, 0.0000959500000000, 0.0003290900000000 ] - [ 0.0013642900000000, -0.0002358700000000, 0.0000819500000000 ] - [ 0.0001122100000000, -0.0002138500000000, 0.0002029900000000 ] - [ 0.0004392300000000, 0.0002238500000000, 0.0018818300000000 ] - [ -0.0019000300000000, 0.0018755600000000, 0.0023467800000000 ] - [ -0.0013134600000000, -0.0012182800000000, -0.0004303100000000 ] - [ 0.0000244100000000, -0.0003067100000000, -0.0000082500000000 ] - [ -0.0008312600000000, -0.0001559100000000, -0.0000073100000000 ] - [ 0.0000444600000000, -0.0001807200000000, 0.0000815900000000 ] - [ -0.0053156400000000, -0.0004706700000000, 0.0002853300000000 ] - [ -0.0010148900000000, -0.0001265100000000, -0.0001937600000000 ] - [ 0.0000581800000000, -0.0000810000000000, 0.0003043000000000 ] - [ -0.0017162300000000, -0.0012115100000000, -0.0001603800000000 ] - [ -0.0009316400000000, 0.0006266500000000, -0.0000205400000000 ] - [ 0.0028505300000000, 0.0009732900000000, -0.0000034900000000 ] - [ 0.0009953800000000, -0.0004632700000000, -0.0015409600000000 ] - [ -0.0025820400000000, 0.0003972300000000, -0.0005502500000000 ] - [ 0.0030908000000000, -0.0001995000000000, -0.0001088000000000 ] - [ -0.0002452800000000, -0.0001902100000000, -0.0007513600000000 ] - [ 0.0002633000000000, -0.0004385700000000, -0.0000068200000000 ] - [ -0.0000979900000000, -0.0000962700000000, 0.0001246400000000 ] - [ 0.0008142200000000, 0.0004646300000000, 0.0000446600000000 ] - [ -0.0019752700000000, -0.0002549600000000, -0.0017233000000000 ] - [ 0.0002182300000000, -0.0005051700000000, -0.0010318400000000 ] - [ -0.0001471300000000, -0.0023057000000000, 0.0003238400000000 ] - [ -0.0000132500000000, -0.0005567700000000, -0.0001940700000000 ] - [ 0.0061405600000000, 0.0012419600000000, 0.0001014400000000 ] - [ 0.0070417800000000, 0.0082968200000000, -0.0042402800000000 ] - [ -0.0003413000000000, -0.0000630800000000, 0.0002273200000000 ] - [ 0.0003121800000000, 0.0001188000000000, -0.0001612400000000 ] - [ -0.0000377900000000, 0.0003504800000000, -0.0013415400000000 ] - [ -0.0001367000000000, -0.0000826700000000, -0.0001960100000000 ] - [ -0.0092155000000000, 0.0001379600000000, 0.0012705700000000 ] - [ -0.0473717200000000, -0.0040289400000000, 0.0011119900000000 ] - [ 0.0002862100000000, -0.0005160500000000, -0.0003219000000000 ] - [ -0.0012451100000000, 0.0007471200000000, 0.0001225500000000 ] - [ -0.0003474400000000, -0.0000282700000000, -0.0000945700000000 ] - [ 0.0003295000000000, 0.0001869200000000, -0.0004727900000000 ] - [ 0.0003315400000000, -0.0001981100000000, -0.0001402400000000 ] - [ -0.0000834900000000, 0.0001795100000000, 0.0003537700000000 ] - [ 0.0003139400000000, 0.0002227900000000, 0.0004054600000000 ] - [ 0.0009816900000000, -0.0000263800000000, -0.0001984200000000 ] - [ -0.0005501500000000, -0.0000959100000000, -0.0008246800000000 ] - [ -0.0000432000000000, -0.0000497000000000, 0.0005681100000000 ] - [ -0.0001246100000000, 0.0009870400000000, -0.0004103600000000 ] - [ 0.0008961100000000, -0.0007593200000000, 0.0011514300000000 ] - [ 0.0001435400000000, -0.0002450200000000, 0.0001981600000000 ] - [ 0.0003536200000000, -0.0000261100000000, -0.0002225600000000 ] - [ -0.0001533400000000, -0.0004386600000000, -0.0001642600000000 ] - [ -0.0076270600000000, -0.0046146500000000, 0.0011925500000000 ] - [ 0.0043942000000000, 0.0036794300000000, 0.0002380000000000 ] - [ -0.0001578200000000, 0.0000277700000000, -0.0002827000000000 ] - [ 0.0018844700000000, -0.0001830800000000, 0.0000110500000000 ] - [ 0.0012334000000000, -0.0009585100000000, 0.0001212100000000 ] - [ -0.0002080800000000, -0.0003841500000000, 0.0001728300000000 ] - [ 0.0001814500000000, -0.0003890900000000, 0.0009691700000000 ] - [ -0.0021873100000000, 0.0009600000000000, -0.0003579300000000 ] - [ 0.0045320100000000, -0.0007091200000000, 0.0036252300000000 ] - [ 0.0001410800000000, -0.0003840000000000, -0.0000576000000000 ] - [ -0.0097933200000000, -0.0151165100000000, -0.0018257100000000 ] - [ -0.0003987300000000, -0.0008746800000000, -0.0016481900000000 ] - [ 0.0000187000000000, 0.0003657300000000, -0.0018297700000000 ] - [ 0.0000078500000000, -0.0001804500000000, -0.0004902300000000 ] - [ 0.0000310400000000, 0.0005444000000000, -0.0001170500000000 ] - [ 0.0146823200000000, -0.0023973800000000, -0.0014106900000000 ] - [ -0.0265389800000000, 0.0010121700000000, 0.0001575400000000 ] - [ 0.0005035300000000, -0.0000483500000000, -0.0001391200000000 ] - [ 0.0000469200000000, 0.0002593500000000, 0.0007301500000000 ] - [ 0.0000995900000000, 0.0006370200000000, -0.0001673500000000 ] - [ -0.0004806600000000, -0.0000624100000000, 0.0001098300000000 ] - [ -0.0001107600000000, -0.0006062200000000, 0.0002420200000000 ] - [ -0.0007614100000000, -0.0007300600000000, 0.0003660300000000 ] - [ -0.0000395600000000, -0.0001216900000000, -0.0004140000000000 ] - [ 0.0005404100000000, -0.0010504000000000, -0.0000175800000000 ] - [ -0.0001358200000000, 0.0005437100000000, 0.0001038500000000 ] - [ 0.0000275900000000, -0.0001668000000000, -0.0001302900000000 ] - [ 0.0009739100000000, -0.0021705400000000, 0.0021284600000000 ] - [ -0.0004786500000000, -0.0001866500000000, 0.0001507800000000 ] - [ -0.0002735100000000, -0.0004183900000000, -0.0000793000000000 ] - [ 0.0001259800000000, 0.0000837700000000, -0.0002443300000000 ] - [ 0.0001549400000000, 0.0003476400000000, -0.0007790300000000 ] - [ 0.0000060100000000, -0.0000276600000000, -0.0001579800000000 ] - [ -0.0002547000000000, -0.0008854000000000, 0.0008430500000000 ] - [ -0.0130913500000000, 0.0010151900000000, 0.0007730900000000 ] - [ 0.0004502800000000, 0.0003767500000000, 0.0001592000000000 ] - [ -0.0008502300000000, 0.0002674800000000, 0.0001240900000000 ] - [ 0.0000788400000000, -0.0003328400000000, 0.0003650500000000 ] - [ -0.0000618400000000, 0.0011190500000000, 0.0011806700000000 ] - [ 0.0010093000000000, -0.0029246100000000, -0.0025764100000000 ] - [ 0.0001673700000000, -0.0001403400000000, -0.0000487700000000 ] - [ -0.0113992500000000, -0.0003442100000000, 0.0039438300000000 ] - [ 0.0001086100000000, 0.0005323300000000, 0.0001106200000000 ] - [ -0.0235007800000000, -0.0006613800000000, 0.0013050200000000 ] - [ 0.0044470600000000, -0.0000070200000000, -0.0041941900000000 ] - [ 0.0022371800000000, -0.0006472600000000, -0.0000438500000000 ] - [ 0.0009520200000000, 0.0001668800000000, 0.0013844200000000 ] - [ -0.0002608300000000, -0.0002384200000000, 0.0017039200000000 ] - [ 0.0113418700000000, -0.0116065900000000, 0.0012099500000000 ] - [ 0.0001057200000000, -0.0002244300000000, 0.0000933800000000 ] - [ 0.0004180300000000, -0.0003074200000000, -0.0002135400000000 ] - [ -0.0002301500000000, 0.0006986100000000, 0.0001537600000000 ] - [ 0.0005632100000000, -0.0002742100000000, -0.0001907200000000 ] - [ -0.0001358900000000, -0.0000905900000000, -0.0001016900000000 ] - [ 0.0002799500000000, 0.0002528400000000, 0.0005558100000000 ] - [ 0.0002684900000000, -0.0004163700000000, -0.0001303100000000 ] - [ 0.0003312200000000, 0.0017599000000000, 0.0015516100000000 ]- atom: 26 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0020627800000000, -0.0054365100000000, -0.0012732400000000 ] - [ -0.0000992000000000, 0.0010137600000000, -0.0003968100000000 ] - [ 0.0002757700000000, 0.0007350700000000, 0.0002304900000000 ] - [ -0.0000430200000000, -0.0011267400000000, 0.0026203300000000 ] - [ -0.0001186200000000, 0.0005766100000000, 0.0001878400000000 ] - [ -0.0001336900000000, 0.0012299100000000, -0.0001573900000000 ] - [ 0.0001126600000000, 0.0011308600000000, 0.0005038800000000 ] - [ 0.0005046000000000, 0.0010482300000000, -0.0002561700000000 ] - [ 0.0001537300000000, -0.0011228500000000, -0.0006943000000000 ] - [ 0.0000269100000000, 0.0014579500000000, 0.0002054500000000 ] - [ 0.0031867600000000, -0.0033482000000000, -0.0041856400000000 ] - [ -0.0026095600000000, -0.0054578800000000, 0.0022623600000000 ] - [ 0.0003434100000000, -0.0008513200000000, -0.0004727400000000 ] - [ 0.0027523100000000, -0.0027811400000000, 0.0030341000000000 ] - [ 0.0000242600000000, 0.0010534000000000, -0.0003968000000000 ] - [ -0.0008784100000000, -0.0007205000000000, 0.0011232300000000 ] - [ -0.0001648500000000, 0.0011972100000000, 0.0001370000000000 ] - [ -0.0003289800000000, 0.0006968600000000, -0.0005374900000000 ] - [ 0.0016246100000000, 0.0053929900000000, -0.0058171500000000 ] - [ -0.0000397100000000, -0.0004685300000000, -0.0017651800000000 ] - [ 0.0000900300000000, -0.0000423600000000, 0.0008384500000000 ] - [ -0.0001295700000000, 0.0015699200000000, -0.0003011300000000 ] - [ -0.0006926600000000, 0.0018994600000000, 0.0012952800000000 ] - [ 0.0001591700000000, -0.0005319500000000, 0.0005881700000000 ] - [ -0.0012151600000000, -0.0107183300000000, 0.0005258500000000 ] - [ 0.0057764900000000, -0.1465251900000000, -0.0069873400000000 ] - [ 0.0000315300000000, 0.0022534000000000, 0.0013624200000000 ] - [ -0.0005498800000000, 0.0051966000000000, -0.0003156000000000 ] - [ -0.0000119900000000, 0.0016988300000000, -0.0003443000000000 ] - [ 0.0101916800000000, 0.0139973100000000, 0.0008350700000000 ] - [ -0.0043722400000000, 0.0096335600000000, -0.0005388700000000 ] - [ 0.0013312500000000, 0.0047502200000000, 0.0000902100000000 ] - [ 0.0014607200000000, -0.0012024000000000, 0.0024729600000000 ] - [ -0.0002290300000000, 0.0016062300000000, 0.0002702100000000 ] - [ -0.0000248200000000, -0.0028716400000000, 0.0007236800000000 ] - [ 0.0001176200000000, -0.0026120100000000, -0.0007887100000000 ] - [ -0.0002893800000000, 0.0023368500000000, -0.0011897600000000 ] - [ 0.0078869200000000, 0.0215145300000000, 0.0234425100000000 ] - [ 0.0003207500000000, 0.0043524600000000, -0.0000927700000000 ] - [ -0.0000085200000000, -0.0002755500000000, -0.0036455200000000 ] - [ -0.0127818600000000, 0.0084847300000000, 0.0007705800000000 ] - [ 0.0004451000000000, -0.0011970300000000, 0.0009200600000000 ] - [ 0.0000531800000000, 0.0020532200000000, -0.0001783800000000 ] - [ -0.0001122500000000, -0.0014387700000000, -0.0010108400000000 ] - [ -0.0010787700000000, 0.0074781900000000, -0.0032384100000000 ] - [ 0.0002341400000000, 0.0026650400000000, 0.0006134900000000 ] - [ -0.0000112100000000, -0.0010568100000000, -0.0005562700000000 ] - [ -0.0001061600000000, 0.0020040200000000, 0.0003668500000000 ] - [ 0.0001959600000000, -0.0025315900000000, 0.0000826900000000 ] - [ -0.0302525400000000, -0.0048582300000000, -0.0000309900000000 ] - [ 0.0029989800000000, 0.0001264400000000, 0.0037093800000000 ] - [ -0.0005681600000000, 0.0006550600000000, 0.0004519400000000 ] - [ -0.0002404100000000, 0.0038392700000000, 0.0013259900000000 ] - [ 0.0152978500000000, 0.0067265600000000, -0.0040750600000000 ] - [ 0.0004010100000000, 0.0015753100000000, 0.0001305000000000 ] - [ 0.0004211900000000, -0.0021943400000000, -0.0020077800000000 ] - [ -0.0000589400000000, 0.0021249500000000, -0.0001141600000000 ] - [ 0.0000950700000000, -0.0007973500000000, 0.0003157500000000 ] - [ 0.0008927500000000, 0.0037382700000000, -0.0000176100000000 ] - [ -0.0119577100000000, 0.0442405600000000, -0.0048429900000000 ] - [ 0.0003055000000000, -0.0001438400000000, -0.0039319700000000 ] - [ -0.0003597800000000, 0.0004701500000000, -0.0023524000000000 ] - [ -0.0002572100000000, -0.0018991200000000, 0.0001453100000000 ] - [ -0.0002355800000000, 0.0003952600000000, 0.0002462000000000 ] - [ -0.0010531100000000, -0.0009014900000000, -0.0027510700000000 ] - [ -0.0003956700000000, 0.0023953200000000, 0.0027766000000000 ] - [ -0.0007278100000000, 0.0016738200000000, 0.0005923200000000 ] - [ -0.0000912300000000, 0.0018717900000000, -0.0030029600000000 ] - [ -0.0002973300000000, 0.0007008500000000, -0.0005280800000000 ] - [ -0.0002078600000000, -0.0019888500000000, 0.0067790000000000 ] - [ 0.0007193800000000, 0.0009163900000000, 0.0001568600000000 ] - [ -0.0003375800000000, 0.0050814300000000, -0.0003704900000000 ] - [ 0.0006379200000000, 0.0012299700000000, -0.0009058300000000 ] - [ -0.0026072500000000, 0.0023600700000000, 0.0027062600000000 ] - [ 0.0012591400000000, -0.0009929000000000, -0.0001577000000000 ] - [ 0.0013618100000000, 0.0021835500000000, 0.0012164400000000 ] - [ 0.0000171200000000, -0.0003204400000000, -0.0001419300000000 ] - [ -0.0005235100000000, 0.0021026200000000, -0.0000671600000000 ] - [ 0.0001029500000000, 0.0003675800000000, 0.0000765500000000 ] - [ 0.0010007500000000, -0.0004879500000000, -0.0002085800000000 ] - [ 0.0003889200000000, -0.0028447200000000, 0.0000030800000000 ] - [ -0.0000097200000000, -0.0011443500000000, 0.0003045000000000 ] - [ -0.0007842900000000, 0.0009375400000000, -0.0031493100000000 ] - [ -0.0002420900000000, -0.0034557700000000, 0.0001787100000000 ] - [ 0.0013747200000000, -0.0002998300000000, -0.0003763200000000 ] - [ -0.0002639300000000, 0.0012598300000000, -0.0001200100000000 ] - [ 0.0030493800000000, -0.0032889800000000, -0.0037842200000000 ] - [ -0.0002022000000000, 0.0016939400000000, 0.0007263700000000 ] - [ 0.0006205800000000, -0.0014247600000000, -0.0023250500000000 ] - [ 0.0002698700000000, -0.0017143800000000, 0.0000486200000000 ] - [ -0.0001537400000000, -0.0021885700000000, 0.0003912200000000 ] - [ -0.0001575100000000, -0.0021641000000000, 0.0000353100000000 ] - [ 0.0005664500000000, 0.0014348500000000, 0.0011457600000000 ] - [ 0.0002296700000000, -0.0006807500000000, -0.0018185500000000 ] - [ 0.0008587400000000, -0.0052224200000000, 0.0003930000000000 ] - [ -0.0001043700000000, -0.0035927100000000, -0.0002042600000000 ] - [ 0.0024027400000000, 0.0044127000000000, 0.0000717200000000 ] - [ -0.0037883400000000, -0.0053373400000000, 0.0014189700000000 ] - [ -0.0003416300000000, -0.0013091600000000, 0.0003863400000000 ] - [ 0.0008717300000000, -0.0015815600000000, -0.0004013200000000 ] - [ -0.0001346300000000, 0.0006713300000000, 0.0025608600000000 ] - [ -0.0001349400000000, -0.0015316200000000, -0.0005084700000000 ] - [ -0.0002224600000000, 0.0116711400000000, 0.0126012800000000 ] - [ -0.0004959300000000, 0.0181502000000000, -0.0001479800000000 ] - [ 0.0002986400000000, 0.0012914400000000, -0.0001187900000000 ] - [ -0.0009047400000000, -0.0018278400000000, 0.0024776100000000 ] - [ -0.0004586300000000, -0.0008074300000000, -0.0002292000000000 ] - [ 0.0004609500000000, -0.0006738200000000, -0.0003249800000000 ] - [ 0.0008281200000000, -0.0011389600000000, -0.0000844600000000 ] - [ 0.0000926400000000, -0.0011041200000000, -0.0001592300000000 ] - [ -0.0005988000000000, -0.0018106800000000, -0.0000000600000000 ] - [ 0.0006119700000000, -0.0003296300000000, 0.0011967400000000 ] - [ 0.0008226600000000, 0.0044992900000000, -0.0038145400000000 ] - [ -0.0003215000000000, 0.0022104600000000, -0.0002530400000000 ] - [ -0.0018445500000000, -0.0010081400000000, 0.0032998600000000 ] - [ 0.0004609400000000, -0.0005107600000000, 0.0013116300000000 ] - [ 0.0001692700000000, -0.0017704800000000, 0.0008312300000000 ] - [ 0.0003987900000000, 0.0019912600000000, 0.0002460200000000 ] - [ -0.0003144600000000, -0.0019678000000000, -0.0002068400000000 ] - [ 0.0044395800000000, -0.0156260500000000, 0.0009515000000000 ] - [ -0.0033855100000000, 0.0031789900000000, -0.0005750000000000 ] - [ -0.0000080700000000, 0.0003678400000000, 0.0001259200000000 ] - [ -0.0001891100000000, -0.0022372600000000, -0.0000618700000000 ] - [ 0.0010562500000000, -0.0033334700000000, 0.0001816200000000 ] - [ -0.0001513200000000, -0.0004939800000000, -0.0003997600000000 ] - [ 0.0004104000000000, -0.0005328700000000, 0.0018464800000000 ] - [ -0.0010167500000000, -0.0054953700000000, -0.0000741800000000 ] - [ 0.0000322500000000, 0.0024606600000000, 0.0014783100000000 ] - [ -0.0003400500000000, -0.0025974300000000, -0.0004361000000000 ] - [ 0.0138967400000000, -0.0041117200000000, -0.0017154400000000 ] - [ 0.0007437400000000, -0.0016080200000000, -0.0011959800000000 ] - [ 0.0003566200000000, 0.0013283900000000, 0.0007330900000000 ] - [ -0.0000249600000000, 0.0016232000000000, -0.0002076100000000 ] - [ 0.0000635900000000, -0.0005995600000000, 0.0000824800000000 ] - [ -0.0084003000000000, 0.0035399300000000, 0.0012801700000000 ] - [ -0.0050967300000000, 0.0203870800000000, -0.0020010600000000 ] - [ 0.0004247800000000, -0.0000429100000000, -0.0001318300000000 ] - [ -0.0002150900000000, 0.0006122400000000, -0.0028838700000000 ] - [ 0.0001037600000000, 0.0004727900000000, -0.0002136800000000 ] - [ -0.0006496400000000, -0.0003599300000000, 0.0000094900000000 ] - [ -0.0000692100000000, -0.0020881900000000, 0.0002053100000000 ] - [ 0.0003099300000000, -0.0012312300000000, 0.0014783800000000 ] - [ -0.0001932200000000, -0.0017539800000000, -0.0006377200000000 ] - [ 0.0003039600000000, -0.0016115100000000, -0.0007130900000000 ] - [ -0.0001828700000000, 0.0003366700000000, 0.0001381700000000 ] - [ -0.0004015700000000, -0.0013330600000000, -0.0001558400000000 ] - [ 0.0015907600000000, -0.0011291500000000, 0.0035739300000000 ] - [ -0.0007017800000000, 0.0001137500000000, -0.0000538500000000 ] - [ -0.0004002700000000, 0.0011984800000000, 0.0000668000000000 ] - [ 0.0001574000000000, -0.0003182700000000, 0.0010777500000000 ] - [ -0.0001949300000000, -0.0012547800000000, 0.0006591500000000 ] - [ -0.0002025700000000, -0.0014772700000000, 0.0005928900000000 ] - [ 0.0012162000000000, -0.0021807600000000, 0.0015497800000000 ] - [ 0.0042749600000000, 0.0143326400000000, 0.0013922700000000 ] - [ -0.0020024600000000, -0.0010733500000000, -0.0007386500000000 ] - [ -0.0009693800000000, -0.0036902500000000, -0.0001305700000000 ] - [ -0.0000507100000000, 0.0015554900000000, 0.0001024900000000 ] - [ -0.0019470100000000, -0.0019660300000000, -0.0050003300000000 ] - [ 0.0022287100000000, -0.0019907000000000, -0.0046263500000000 ] - [ 0.0002038600000000, -0.0008099900000000, -0.0001479300000000 ] - [ 0.0008796700000000, 0.0131282800000000, -0.0084400200000000 ] - [ -0.0000368900000000, 0.0015997800000000, 0.0001289100000000 ] - [ 0.0029256600000000, 0.0138078700000000, -0.0019516800000000 ] - [ 0.0001952400000000, 0.0022236100000000, -0.0010283100000000 ] - [ -0.0011352500000000, 0.0016588700000000, 0.0001403100000000 ] - [ -0.0005132900000000, 0.0019756000000000, 0.0009840600000000 ] - [ -0.0000748200000000, -0.0006083500000000, 0.0025161900000000 ] - [ 0.0086998600000000, 0.0013560500000000, 0.0006329100000000 ] - [ 0.0000522400000000, -0.0016542300000000, 0.0000102500000000 ] - [ 0.0003361300000000, -0.0009126500000000, -0.0000899700000000 ] - [ -0.0015249300000000, -0.0027831600000000, -0.0001799800000000 ] - [ 0.0007041400000000, -0.0014876100000000, -0.0005785700000000 ] - [ 0.0000163100000000, -0.0017221700000000, 0.0000606800000000 ] - [ -0.0009419300000000, -0.0007080200000000, -0.0019548400000000 ] - [ 0.0004174300000000, -0.0007337600000000, -0.0000065300000000 ] - [ -0.0028648100000000, -0.0020953200000000, -0.0027555800000000 ]- atom: 26 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0022425100000000, 0.0052394900000000, 0.0014551400000000 ] - [ -0.0000336500000000, -0.0005728900000000, 0.0003444600000000 ] - [ 0.0003439100000000, -0.0007457100000000, -0.0003754500000000 ] - [ 0.0001340500000000, 0.0004806000000000, -0.0023556100000000 ] - [ 0.0000264600000000, -0.0012468600000000, -0.0004648500000000 ] - [ -0.0000556500000000, -0.0014506600000000, -0.0000305100000000 ] - [ -0.0003019400000000, -0.0009157200000000, -0.0006885900000000 ] - [ 0.0003649100000000, -0.0007105900000000, 0.0004774600000000 ] - [ -0.0000937300000000, 0.0010213200000000, 0.0005805700000000 ] - [ -0.0000881000000000, -0.0013509800000000, -0.0000880100000000 ] - [ -0.0031010000000000, 0.0040601700000000, 0.0044635200000000 ] - [ 0.0027129400000000, 0.0050457600000000, -0.0022097300000000 ] - [ 0.0005325300000000, 0.0005044400000000, 0.0006976800000000 ] - [ -0.0026814500000000, 0.0029338900000000, -0.0031492800000000 ] - [ -0.0000840500000000, -0.0011652200000000, 0.0005117000000000 ] - [ 0.0002589500000000, 0.0007047300000000, -0.0009805600000000 ] - [ 0.0000333100000000, -0.0016448700000000, -0.0001894800000000 ] - [ -0.0005420300000000, -0.0010375700000000, 0.0003197300000000 ] - [ -0.0024717600000000, -0.0050188500000000, 0.0055358700000000 ] - [ 0.0001727700000000, 0.0009194000000000, 0.0018288600000000 ] - [ 0.0005314900000000, 0.0000463800000000, -0.0009848300000000 ] - [ 0.0000370900000000, -0.0009052000000000, 0.0000230100000000 ] - [ 0.0000762400000000, -0.0018977000000000, -0.0011607800000000 ] - [ 0.0000307800000000, 0.0007565600000000, -0.0004023100000000 ] - [ 0.0018126300000000, 0.0104482700000000, 0.0003752400000000 ] - [ -0.0066326400000000, 0.1485545100000000, 0.0060371400000000 ] - [ -0.0004241700000000, -0.0032815300000000, -0.0006974700000000 ] - [ 0.0000408500000000, -0.0055316400000000, -0.0005907200000000 ] - [ -0.0000713500000000, -0.0012324800000000, 0.0000657000000000 ] - [ -0.0100811200000000, -0.0137848700000000, -0.0016956000000000 ] - [ 0.0041655100000000, -0.0093258200000000, 0.0013963200000000 ] - [ -0.0012052700000000, -0.0043874900000000, -0.0000200900000000 ] - [ -0.0018492000000000, 0.0022195500000000, -0.0017989700000000 ] - [ -0.0002819700000000, -0.0012928300000000, -0.0011689700000000 ] - [ -0.0000909000000000, 0.0025071100000000, -0.0007983800000000 ] - [ 0.0000548100000000, 0.0022980800000000, -0.0000273700000000 ] - [ 0.0006669200000000, -0.0021541800000000, 0.0010957700000000 ] - [ -0.0074005400000000, -0.0223315700000000, -0.0238347100000000 ] - [ -0.0004082700000000, -0.0048404600000000, -0.0001892000000000 ] - [ 0.0003936000000000, 0.0000696400000000, 0.0035451000000000 ] - [ 0.0127411700000000, -0.0081585400000000, -0.0008501900000000 ] - [ 0.0000645400000000, 0.0015379800000000, -0.0000138900000000 ] - [ 0.0000601900000000, -0.0024285900000000, 0.0002564600000000 ] - [ -0.0002835700000000, 0.0016021600000000, 0.0011231400000000 ] - [ 0.0007101500000000, -0.0076987200000000, 0.0033594400000000 ] - [ 0.0001568600000000, -0.0016405300000000, -0.0012848100000000 ] - [ 0.0000948900000000, 0.0015502200000000, 0.0008442400000000 ] - [ -0.0000763100000000, -0.0023266200000000, 0.0004913000000000 ] - [ -0.0005212700000000, 0.0020594100000000, -0.0001288500000000 ] - [ 0.0300627500000000, 0.0049871100000000, 0.0002032200000000 ] - [ -0.0025783400000000, -0.0000420900000000, -0.0044402600000000 ] - [ 0.0008615100000000, -0.0007991400000000, 0.0000939000000000 ] - [ 0.0006582800000000, -0.0031743200000000, -0.0015593200000000 ] - [ -0.0156544000000000, -0.0060186500000000, 0.0043465200000000 ] - [ -0.0000711000000000, -0.0020590100000000, -0.0000827300000000 ] - [ -0.0001257400000000, 0.0014302300000000, 0.0015626000000000 ] - [ 0.0000874000000000, -0.0015242900000000, -0.0001002000000000 ] - [ 0.0003173400000000, 0.0001162500000000, -0.0005421300000000 ] - [ -0.0009643800000000, -0.0033664000000000, -0.0001453600000000 ] - [ 0.0121926000000000, -0.0455835000000000, 0.0052233800000000 ] - [ -0.0006028200000000, 0.0002920500000000, 0.0034092100000000 ] - [ 0.0006403900000000, -0.0003342600000000, 0.0028921100000000 ] - [ 0.0002238700000000, 0.0025160900000000, 0.0000706700000000 ] - [ -0.0001778300000000, -0.0010669800000000, -0.0000159700000000 ] - [ 0.0007361000000000, 0.0006573900000000, 0.0023731700000000 ] - [ 0.0006510300000000, -0.0026639100000000, -0.0029287700000000 ] - [ 0.0004722700000000, -0.0014150300000000, -0.0004561900000000 ] - [ 0.0003875800000000, -0.0011040900000000, 0.0025551500000000 ] - [ 0.0000122400000000, 0.0000600000000000, 0.0009798400000000 ] - [ 0.0004402000000000, 0.0021944800000000, -0.0069698900000000 ] - [ -0.0011579800000000, -0.0009957100000000, 0.0005386900000000 ] - [ 0.0006616000000000, -0.0045939300000000, 0.0004168500000000 ] - [ -0.0009300000000000, -0.0020041400000000, 0.0013702000000000 ] - [ 0.0021555300000000, -0.0022740400000000, -0.0020067800000000 ] - [ -0.0008146400000000, 0.0009072300000000, -0.0005506800000000 ] - [ -0.0016150800000000, -0.0024420700000000, -0.0010721500000000 ] - [ -0.0000782000000000, -0.0000732900000000, -0.0000199400000000 ] - [ 0.0005521900000000, -0.0027180100000000, -0.0001477500000000 ] - [ -0.0000394100000000, -0.0007447700000000, 0.0000861300000000 ] - [ -0.0013401400000000, 0.0009746900000000, 0.0001627800000000 ] - [ 0.0001376200000000, 0.0036344400000000, 0.0000587400000000 ] - [ -0.0001243800000000, 0.0011284200000000, 0.0005480000000000 ] - [ 0.0002138100000000, -0.0011100200000000, 0.0036098300000000 ] - [ -0.0000541500000000, 0.0042103600000000, -0.0004207000000000 ] - [ -0.0012964100000000, 0.0002156600000000, 0.0010395000000000 ] - [ 0.0007340500000000, -0.0011910300000000, 0.0003079400000000 ] - [ -0.0025741500000000, 0.0031887500000000, 0.0035229300000000 ] - [ -0.0003423800000000, -0.0016077700000000, -0.0009360500000000 ] - [ -0.0009993300000000, 0.0013471900000000, 0.0026987700000000 ] - [ 0.0002503900000000, 0.0009316800000000, 0.0000119900000000 ] - [ 0.0004002600000000, 0.0023320800000000, -0.0001029800000000 ] - [ -0.0000962200000000, 0.0032428000000000, 0.0003156800000000 ] - [ -0.0010762100000000, -0.0009284100000000, -0.0003982300000000 ] - [ 0.0003491500000000, 0.0006499200000000, 0.0024169400000000 ] - [ -0.0010187400000000, 0.0040427100000000, -0.0000574400000000 ] - [ 0.0003328700000000, 0.0024948800000000, -0.0001622800000000 ] - [ -0.0021245600000000, -0.0036869100000000, 0.0001732300000000 ] - [ 0.0039305000000000, 0.0041630300000000, -0.0017667800000000 ] - [ -0.0000414300000000, 0.0013887600000000, -0.0000018300000000 ] - [ -0.0012795500000000, 0.0024613700000000, 0.0003524300000000 ] - [ 0.0002705800000000, -0.0006602800000000, -0.0034318400000000 ] - [ -0.0004414900000000, 0.0015636000000000, -0.0000778900000000 ] - [ 0.0008452800000000, -0.0117682000000000, -0.0120484500000000 ] - [ 0.0001460800000000, -0.0191743800000000, 0.0005462500000000 ] - [ -0.0000460800000000, -0.0023739700000000, -0.0002325200000000 ] - [ 0.0006516900000000, 0.0019474800000000, -0.0022880200000000 ] - [ -0.0000094000000000, 0.0008799900000000, 0.0000393000000000 ] - [ 0.0000206700000000, 0.0011789300000000, -0.0005153400000000 ] - [ -0.0005663800000000, 0.0010274500000000, -0.0001204700000000 ] - [ -0.0004207000000000, 0.0016564900000000, 0.0007503800000000 ] - [ 0.0002689500000000, 0.0012637300000000, 0.0005885500000000 ] - [ -0.0000686600000000, 0.0002562900000000, -0.0009905800000000 ] - [ -0.0004878600000000, -0.0039730400000000, 0.0032614000000000 ] - [ 0.0003997300000000, -0.0021341600000000, 0.0009118600000000 ] - [ 0.0013733200000000, 0.0005073200000000, -0.0024763300000000 ] - [ -0.0001903100000000, 0.0006327300000000, -0.0015172800000000 ] - [ 0.0003740500000000, 0.0018578800000000, -0.0006307300000000 ] - [ -0.0000777400000000, -0.0018972300000000, 0.0000834600000000 ] - [ 0.0000209700000000, 0.0012189000000000, -0.0000374900000000 ] - [ -0.0041584600000000, 0.0155985500000000, -0.0006307700000000 ] - [ 0.0028896400000000, -0.0024141300000000, 0.0005210100000000 ] - [ -0.0002816500000000, -0.0005806900000000, 0.0002021300000000 ] - [ -0.0001302700000000, 0.0021470600000000, -0.0002700500000000 ] - [ -0.0008541300000000, 0.0036713900000000, -0.0000603000000000 ] - [ -0.0002496200000000, -0.0003761400000000, 0.0003466600000000 ] - [ -0.0006620900000000, 0.0003944700000000, -0.0021490100000000 ] - [ 0.0009330500000000, 0.0054029300000000, -0.0005910700000000 ] - [ -0.0002939800000000, -0.0023223400000000, -0.0017864200000000 ] - [ 0.0012899800000000, 0.0027556700000000, 0.0005639600000000 ] - [ -0.0130357300000000, 0.0052418600000000, 0.0016049100000000 ] - [ -0.0012071200000000, 0.0015379100000000, 0.0010086200000000 ] - [ -0.0005737400000000, -0.0013943100000000, -0.0005775000000000 ] - [ -0.0001706600000000, -0.0019635300000000, 0.0000823600000000 ] - [ 0.0000875200000000, 0.0017889200000000, -0.0004198900000000 ] - [ 0.0074295100000000, -0.0033882000000000, -0.0014118700000000 ] - [ 0.0062120900000000, -0.0204429000000000, 0.0018237600000000 ] - [ 0.0005254100000000, -0.0001024300000000, 0.0002553200000000 ] - [ 0.0005994400000000, -0.0006998000000000, 0.0025180100000000 ] - [ 0.0001210500000000, 0.0006434800000000, -0.0001535500000000 ] - [ -0.0003008700000000, 0.0002060200000000, -0.0001373200000000 ] - [ -0.0001838900000000, 0.0010218900000000, 0.0001442500000000 ] - [ -0.0008612200000000, 0.0011514200000000, -0.0016934600000000 ] - [ 0.0001145700000000, 0.0018368900000000, -0.0000244500000000 ] - [ -0.0008724900000000, 0.0018108100000000, 0.0011791200000000 ] - [ -0.0000423100000000, 0.0007639600000000, 0.0002276700000000 ] - [ 0.0008608200000000, 0.0014214000000000, -0.0000864000000000 ] - [ -0.0018333300000000, 0.0009816600000000, -0.0031501000000000 ] - [ -0.0002406800000000, -0.0006736300000000, 0.0001768100000000 ] - [ -0.0001250000000000, -0.0019964900000000, -0.0001332200000000 ] - [ 0.0000874600000000, 0.0001900800000000, -0.0007837700000000 ] - [ 0.0004226400000000, 0.0011120200000000, -0.0010852600000000 ] - [ 0.0004354300000000, 0.0016297200000000, -0.0010311500000000 ] - [ -0.0007234400000000, 0.0016760200000000, -0.0023839100000000 ] - [ -0.0031967000000000, -0.0130154600000000, -0.0012489600000000 ] - [ 0.0015533300000000, 0.0009887900000000, 0.0009902000000000 ] - [ 0.0006859400000000, 0.0039271600000000, 0.0004657600000000 ] - [ 0.0003438900000000, -0.0023205800000000, 0.0001405200000000 ] - [ 0.0024373300000000, 0.0019084300000000, 0.0052333500000000 ] - [ -0.0019161000000000, 0.0014457400000000, 0.0040614000000000 ] - [ 0.0000839400000000, 0.0005852600000000, -0.0001868000000000 ] - [ -0.0007178400000000, -0.0132625500000000, 0.0077737400000000 ] - [ -0.0001119500000000, -0.0004056800000000, 0.0002020600000000 ] - [ -0.0036855200000000, -0.0150294900000000, 0.0021666900000000 ] - [ 0.0001768100000000, -0.0021532800000000, 0.0006668200000000 ] - [ 0.0006686200000000, -0.0015681700000000, 0.0001061900000000 ] - [ 0.0002784400000000, -0.0018329100000000, -0.0005569100000000 ] - [ -0.0000574100000000, 0.0006312900000000, -0.0016618500000000 ] - [ -0.0084160800000000, -0.0010465400000000, -0.0009741600000000 ] - [ 0.0001504800000000, 0.0013314300000000, 0.0001099000000000 ] - [ 0.0006047200000000, 0.0003426100000000, -0.0000378600000000 ] - [ 0.0005909900000000, 0.0033563200000000, 0.0003099100000000 ] - [ -0.0001379800000000, 0.0012937400000000, 0.0001182300000000 ] - [ -0.0003334300000000, 0.0018288400000000, -0.0003949200000000 ] - [ 0.0003632400000000, 0.0006819600000000, 0.0013587900000000 ] - [ -0.0000138400000000, -0.0001439500000000, 0.0000574900000000 ] - [ 0.0034144300000000, 0.0022912100000000, 0.0022863900000000 ]- atom: 26 displacement: [ -0.0035230240541542, 0.0000000000000000, 0.0093588621911988 ] forces: - [ 0.0032494900000000, -0.0006452900000000, -0.0016903600000000 ] - [ -0.0001973700000000, 0.0000772200000000, 0.0002089900000000 ] - [ 0.0003423200000000, 0.0002009100000000, 0.0000393400000000 ] - [ -0.0001038300000000, 0.0039189800000000, 0.0027629900000000 ] - [ -0.0001176000000000, -0.0001637500000000, 0.0001000100000000 ] - [ -0.0000963700000000, -0.0001840000000000, -0.0002640100000000 ] - [ 0.0000598100000000, 0.0007507900000000, 0.0004163500000000 ] - [ 0.0002170400000000, 0.0000311100000000, 0.0000020300000000 ] - [ -0.0006939600000000, -0.0004646700000000, 0.0006792300000000 ] - [ -0.0000753100000000, 0.0003542000000000, 0.0000735300000000 ] - [ -0.0084696500000000, -0.0048873700000000, 0.0068342800000000 ] - [ -0.0109695000000000, 0.0024254600000000, 0.0025799600000000 ] - [ 0.0024151000000000, -0.0014751200000000, 0.0014001300000000 ] - [ 0.0064383000000000, 0.0027051800000000, -0.0000050000000000 ] - [ 0.0001184500000000, -0.0005570300000000, 0.0001787400000000 ] - [ -0.0025422100000000, 0.0013715300000000, 0.0032962200000000 ] - [ -0.0000399900000000, -0.0000995100000000, -0.0000789300000000 ] - [ -0.0004702300000000, -0.0003281800000000, 0.0001552800000000 ] - [ -0.0004958200000000, -0.0075487100000000, -0.0007490400000000 ] - [ 0.0005767300000000, -0.0016289000000000, 0.0010719300000000 ] - [ -0.0003617000000000, 0.0002082800000000, -0.0004004100000000 ] - [ -0.0000126600000000, 0.0002609200000000, -0.0002786200000000 ] - [ -0.0001700300000000, 0.0004846800000000, -0.0003704100000000 ] - [ 0.0001118000000000, 0.0003777100000000, 0.0005823900000000 ] - [ -0.0087686600000000, -0.0010586400000000, -0.0039381800000000 ] - [ 0.0581559400000000, -0.0091194900000000, -0.1752258200000000 ] - [ -0.0006302000000000, 0.0000727800000000, -0.0005585400000000 ] - [ -0.0000717600000000, 0.0000802300000000, -0.0010371500000000 ] - [ 0.0007898000000000, 0.0000385300000000, 0.0014004700000000 ] - [ -0.0013392800000000, -0.0037763000000000, -0.0036031700000000 ] - [ -0.0005692500000000, 0.0027735000000000, -0.0022056800000000 ] - [ 0.0004356500000000, -0.0013674600000000, -0.0022970400000000 ] - [ 0.0056645800000000, 0.0021953100000000, 0.0044757300000000 ] - [ -0.0009687900000000, -0.0004497500000000, 0.0019854900000000 ] - [ 0.0005335100000000, -0.0003752900000000, 0.0090384900000000 ] - [ -0.0021019800000000, 0.0001897700000000, 0.0120828400000000 ] - [ 0.0003673000000000, 0.0000270900000000, 0.0004947700000000 ] - [ 0.0121787900000000, 0.0226679600000000, -0.0059788800000000 ] - [ -0.0003050100000000, -0.0001487100000000, -0.0005377200000000 ] - [ -0.0028805700000000, -0.0011443600000000, -0.0022545700000000 ] - [ -0.0013768200000000, 0.0027683000000000, -0.0027934000000000 ] - [ 0.0012663900000000, 0.0007040200000000, 0.0024121200000000 ] - [ -0.0000146000000000, -0.0000923000000000, 0.0005564900000000 ] - [ -0.0069555000000000, -0.0039315000000000, 0.0050029600000000 ] - [ 0.0004801200000000, -0.0008626400000000, -0.0003585200000000 ] - [ 0.0000122600000000, 0.0013302300000000, 0.0002968400000000 ] - [ -0.0011098800000000, 0.0008623500000000, 0.0030539200000000 ] - [ -0.0000562900000000, 0.0000273400000000, 0.0009108900000000 ] - [ 0.0024074500000000, -0.0012445000000000, 0.0007320800000000 ] - [ -0.0064471300000000, 0.0136077500000000, -0.0048159700000000 ] - [ 0.0008547300000000, 0.0009027700000000, -0.0009807000000000 ] - [ 0.0000904500000000, -0.0000326800000000, 0.0003968800000000 ] - [ 0.0003525600000000, 0.0004065200000000, -0.0002494800000000 ] - [ -0.0080113100000000, -0.0026586800000000, 0.0019756700000000 ] - [ 0.0000858400000000, -0.0001673300000000, 0.0000869400000000 ] - [ -0.0018478300000000, 0.0006076800000000, -0.0004729600000000 ] - [ 0.0000794300000000, 0.0003908800000000, -0.0000763600000000 ] - [ -0.0006123600000000, -0.0003256000000000, 0.0011994200000000 ] - [ -0.0000886200000000, 0.0000584800000000, -0.0001585700000000 ] - [ 0.0161353800000000, -0.0017266700000000, -0.0064530000000000 ] - [ 0.0002747200000000, -0.0006616700000000, 0.0004573800000000 ] - [ 0.0003548600000000, -0.0002465500000000, 0.0002626700000000 ] - [ -0.0026926500000000, 0.0008090400000000, 0.0013169600000000 ] - [ -0.0002900000000000, -0.0002243900000000, 0.0003707600000000 ] - [ -0.0037877200000000, -0.0085246200000000, 0.0422451200000000 ] - [ -0.0007085000000000, 0.0020451200000000, 0.0013504700000000 ] - [ -0.0002769000000000, 0.0003455300000000, -0.0000913300000000 ] - [ 0.0006830400000000, 0.0003898500000000, -0.0000023100000000 ] - [ -0.0003161600000000, -0.0004329900000000, -0.0002458000000000 ] - [ 0.0088229900000000, 0.0026806300000000, 0.0335207700000000 ] - [ 0.0000144100000000, 0.0001372600000000, 0.0001623000000000 ] - [ 0.0001777600000000, 0.0012594600000000, -0.0000504900000000 ] - [ -0.0000606200000000, -0.0003602200000000, 0.0003021700000000 ] - [ -0.0031436500000000, 0.0022060300000000, 0.0015495500000000 ] - [ 0.0003894300000000, 0.0002707600000000, 0.0015100900000000 ] - [ 0.0007906300000000, 0.0016612800000000, 0.0005559200000000 ] - [ 0.0007092400000000, -0.0013137500000000, 0.0003279600000000 ] - [ -0.0002779100000000, -0.0004474400000000, -0.0002026700000000 ] - [ 0.0000683600000000, 0.0004073400000000, 0.0001955800000000 ] - [ -0.0018562800000000, 0.0003243300000000, 0.0001227500000000 ] - [ 0.0001564400000000, -0.0001353400000000, 0.0003228000000000 ] - [ -0.0000236800000000, -0.0000699500000000, 0.0004458000000000 ] - [ -0.0099498600000000, -0.0095901200000000, -0.0109240800000000 ] - [ -0.0006347900000000, -0.0001263700000000, 0.0001145800000000 ] - [ 0.0007938400000000, 0.0001224800000000, 0.0006130900000000 ] - [ 0.0014956300000000, -0.0001148600000000, -0.0042500700000000 ] - [ 0.0024954000000000, -0.0037678300000000, -0.0011447600000000 ] - [ 0.0028127200000000, 0.0007432800000000, -0.0003787700000000 ] - [ 0.0006919200000000, -0.0009305100000000, -0.0020081200000000 ] - [ 0.0003324000000000, -0.0003192200000000, -0.0001782600000000 ] - [ 0.0000414100000000, 0.0001436900000000, 0.0002078400000000 ] - [ 0.0001444800000000, 0.0005624600000000, 0.0003455600000000 ] - [ -0.0053171400000000, -0.0007888100000000, -0.0177932900000000 ] - [ 0.0009102900000000, -0.0009688400000000, -0.0010151400000000 ] - [ -0.0003392700000000, -0.0008438700000000, 0.0005289100000000 ] - [ 0.0001800300000000, -0.0004765400000000, -0.0000835400000000 ] - [ 0.0023243100000000, 0.0002496600000000, 0.0014302700000000 ] - [ 0.0017767100000000, 0.0016558300000000, -0.0000558600000000 ] - [ -0.0002948600000000, 0.0000015200000000, 0.0006128500000000 ] - [ -0.0002416800000000, 0.0003325900000000, 0.0002697000000000 ] - [ 0.0004687400000000, 0.0007446300000000, -0.0020669400000000 ] - [ -0.0002169300000000, -0.0001491100000000, -0.0000048400000000 ] - [ -0.0066299500000000, 0.0025023500000000, 0.0385782100000000 ] - [ -0.0191887200000000, -0.0014949600000000, 0.0105466500000000 ] - [ 0.0018743700000000, -0.0007052900000000, -0.0016604300000000 ] - [ -0.0005721600000000, 0.0008729900000000, 0.0001368600000000 ] - [ -0.0002696400000000, -0.0000016900000000, -0.0001703700000000 ] - [ 0.0003224600000000, 0.0001750500000000, -0.0006455600000000 ] - [ 0.0001873700000000, -0.0001008900000000, -0.0002744700000000 ] - [ -0.0001165900000000, 0.0002312800000000, 0.0001861500000000 ] - [ -0.0004737100000000, -0.0011348700000000, 0.0009787700000000 ] - [ 0.0008342200000000, 0.0006927200000000, 0.0003598100000000 ] - [ -0.0003346600000000, 0.0054563900000000, -0.0158194400000000 ] - [ -0.0016709000000000, 0.0012505800000000, -0.0019563700000000 ] - [ 0.0000718500000000, 0.0011701800000000, 0.0003258300000000 ] - [ 0.0002459000000000, 0.0004344000000000, 0.0007020400000000 ] - [ 0.0001451900000000, 0.0000517200000000, -0.0000025600000000 ] - [ 0.0026323000000000, -0.0006189000000000, -0.0026997700000000 ] - [ -0.0000121300000000, -0.0003755400000000, -0.0004057400000000 ] - [ -0.0040781000000000, 0.0010815800000000, 0.0003398600000000 ] - [ 0.0013658100000000, 0.0009851100000000, 0.0015190100000000 ] - [ 0.0000396000000000, 0.0014452900000000, -0.0023853700000000 ] - [ 0.0004970000000000, 0.0002877100000000, 0.0004816900000000 ] - [ 0.0005154800000000, -0.0001781200000000, 0.0003789500000000 ] - [ -0.0001262700000000, -0.0009251900000000, -0.0015546300000000 ] - [ -0.0002440900000000, -0.0001323600000000, -0.0007237600000000 ] - [ -0.0009671200000000, -0.0021376700000000, 0.0026764700000000 ] - [ 0.0005799400000000, -0.0000629000000000, 0.0026739500000000 ] - [ 0.0002771000000000, 0.0000071400000000, 0.0002675700000000 ] - [ -0.0021335100000000, -0.0046037000000000, 0.0100815200000000 ] - [ 0.0007558300000000, -0.0009135700000000, 0.0004524700000000 ] - [ 0.0108482300000000, 0.0080432000000000, -0.0139965200000000 ] - [ 0.0020109200000000, -0.0011538600000000, -0.0020134900000000 ] - [ 0.0001068200000000, 0.0004757500000000, -0.0003881500000000 ] - [ 0.0038490200000000, -0.0007918100000000, 0.0008383400000000 ] - [ -0.0086220400000000, -0.0016025600000000, 0.0109991200000000 ] - [ 0.0012608500000000, 0.0000894400000000, -0.0012225200000000 ] - [ -0.0004649100000000, -0.0012458800000000, -0.0006342500000000 ] - [ -0.0001270600000000, 0.0013875800000000, -0.0005005000000000 ] - [ -0.0007314800000000, -0.0001400200000000, -0.0005412700000000 ] - [ -0.0002454600000000, -0.0006146600000000, -0.0000681600000000 ] - [ -0.0007989000000000, 0.0002402700000000, -0.0001454600000000 ] - [ 0.0000428800000000, -0.0001544300000000, -0.0005606400000000 ] - [ 0.0005697600000000, -0.0013426200000000, 0.0002136800000000 ] - [ -0.0000612500000000, -0.0000378800000000, -0.0005544100000000 ] - [ 0.0000150900000000, -0.0002536300000000, -0.0000673200000000 ] - [ -0.0001256900000000, 0.0002180000000000, 0.0011082600000000 ] - [ -0.0017483300000000, 0.0006381200000000, -0.0019793700000000 ] - [ -0.0021537800000000, -0.0008413700000000, -0.0017785000000000 ] - [ 0.0007208200000000, 0.0014686500000000, -0.0006179200000000 ] - [ 0.0003078200000000, 0.0007380600000000, 0.0005616300000000 ] - [ 0.0000849100000000, -0.0000805800000000, -0.0004707100000000 ] - [ -0.0006884400000000, 0.0003052900000000, 0.0006131000000000 ] - [ -0.0028436300000000, 0.0035209900000000, 0.0131484600000000 ] - [ -0.0008608700000000, -0.0005865000000000, 0.0004869600000000 ] - [ -0.0002846200000000, 0.0004046600000000, 0.0005714000000000 ] - [ -0.0014063800000000, 0.0001636800000000, -0.0009344400000000 ] - [ -0.0005698800000000, -0.0012290600000000, 0.0021823300000000 ] - [ 0.0013857300000000, -0.0034059900000000, -0.0000615400000000 ] - [ -0.0000358200000000, -0.0003942200000000, -0.0003895200000000 ] - [ -0.0075369900000000, -0.0019101000000000, 0.0509128600000000 ] - [ 0.0007601100000000, 0.0000827100000000, -0.0020523200000000 ] - [ -0.0100472600000000, -0.0011381500000000, 0.0125139600000000 ] - [ 0.0020019700000000, -0.0002959600000000, -0.0007118600000000 ] - [ -0.0007444800000000, -0.0000603800000000, -0.0002501700000000 ] - [ -0.0003059500000000, 0.0000900100000000, -0.0020307000000000 ] - [ -0.0002735600000000, 0.0004119000000000, 0.0001069500000000 ] - [ 0.0045168000000000, -0.0038978600000000, 0.0004526300000000 ] - [ 0.0000237200000000, -0.0002059800000000, -0.0001351500000000 ] - [ 0.0005228700000000, -0.0005474400000000, -0.0003572300000000 ] - [ -0.0000218600000000, 0.0006466100000000, 0.0005015800000000 ] - [ 0.0005078100000000, -0.0003958000000000, -0.0002342400000000 ] - [ -0.0001862200000000, -0.0000203100000000, -0.0002865900000000 ] - [ -0.0007324900000000, -0.0008898100000000, -0.0013651000000000 ] - [ 0.0005022200000000, -0.0004837700000000, -0.0005295000000000 ] - [ -0.0028761900000000, -0.0014769200000000, -0.0000175500000000 ]- atom: 26 displacement: [ 0.0035230240541542, 0.0000000000000000, -0.0093588621911988 ] forces: - [ -0.0030763000000000, 0.0004149300000000, 0.0018421600000000 ] - [ 0.0000619700000000, 0.0003736600000000, -0.0002582500000000 ] - [ 0.0002776400000000, -0.0002105200000000, -0.0001784600000000 ] - [ 0.0001947200000000, -0.0046177000000000, -0.0024982600000000 ] - [ 0.0000262300000000, -0.0005041100000000, -0.0003779000000000 ] - [ -0.0000937100000000, -0.0000358600000000, 0.0000766000000000 ] - [ -0.0002494800000000, -0.0005241000000000, -0.0006073700000000 ] - [ 0.0006559700000000, 0.0003126600000000, 0.0002189800000000 ] - [ 0.0007497000000000, 0.0003428500000000, -0.0008046900000000 ] - [ 0.0000141100000000, -0.0002364000000000, 0.0000447400000000 ] - [ 0.0084714600000000, 0.0054941500000000, -0.0065021000000000 ] - [ 0.0111966400000000, -0.0029005800000000, -0.0025270300000000 ] - [ -0.0015485600000000, 0.0011398400000000, -0.0011748500000000 ] - [ -0.0063970800000000, -0.0026007700000000, -0.0000815200000000 ] - [ -0.0001807300000000, 0.0004454300000000, -0.0000569000000000 ] - [ 0.0019146700000000, -0.0013699700000000, -0.0031466500000000 ] - [ -0.0000966400000000, -0.0003457300000000, 0.0000260700000000 ] - [ -0.0004031500000000, -0.0000137300000000, -0.0003825600000000 ] - [ -0.0003807200000000, 0.0079291800000000, 0.0005461700000000 ] - [ -0.0004363600000000, 0.0020620000000000, -0.0010258400000000 ] - [ 0.0009819700000000, -0.0001998000000000, 0.0002522500000000 ] - [ -0.0000791500000000, 0.0004108500000000, 0.0000051200000000 ] - [ -0.0004513700000000, -0.0004714100000000, 0.0005201700000000 ] - [ 0.0000795400000000, -0.0001608700000000, -0.0003893100000000 ] - [ 0.0092912800000000, 0.0007367300000000, 0.0048132500000000 ] - [ -0.0579632900000000, 0.0074418500000000, 0.1771132200000000 ] - [ 0.0002234800000000, -0.0010938300000000, 0.0012427300000000 ] - [ -0.0004235600000000, -0.0004017500000000, 0.0001500500000000 ] - [ -0.0008907500000000, 0.0004554600000000, -0.0016736600000000 ] - [ 0.0015650100000000, 0.0041542300000000, 0.0027627400000000 ] - [ 0.0003947200000000, -0.0024779800000000, 0.0030530700000000 ] - [ -0.0003222500000000, 0.0017273700000000, 0.0023603400000000 ] - [ -0.0060478400000000, -0.0011560300000000, -0.0038075600000000 ] - [ 0.0004746800000000, 0.0007937100000000, -0.0028773500000000 ] - [ -0.0006318200000000, 0.0000040200000000, -0.0090721000000000 ] - [ 0.0022831700000000, -0.0005160000000000, -0.0129692200000000 ] - [ -0.0000175900000000, 0.0001625600000000, -0.0006213000000000 ] - [ -0.0117180200000000, -0.0236292800000000, 0.0051719000000000 ] - [ 0.0002071400000000, -0.0003276100000000, 0.0002637400000000 ] - [ 0.0032389800000000, 0.0009550400000000, 0.0021681400000000 ] - [ 0.0011992800000000, -0.0023550200000000, 0.0027505000000000 ] - [ -0.0007731300000000, -0.0003897700000000, -0.0015268800000000 ] - [ 0.0001242700000000, -0.0002704200000000, -0.0004938300000000 ] - [ 0.0066322900000000, 0.0041457000000000, -0.0048915400000000 ] - [ -0.0008321000000000, 0.0007048100000000, 0.0004530600000000 ] - [ 0.0003967900000000, -0.0003070000000000, -0.0009617900000000 ] - [ 0.0012093200000000, -0.0003990400000000, -0.0027836300000000 ] - [ -0.0001228000000000, -0.0003497500000000, -0.0000693300000000 ] - [ -0.0027538300000000, 0.0007555500000000, -0.0007754000000000 ] - [ 0.0065747800000000, -0.0132977300000000, 0.0049137800000000 ] - [ -0.0004276600000000, -0.0008207600000000, 0.0002970600000000 ] - [ 0.0001999600000000, -0.0001203100000000, 0.0001427600000000 ] - [ 0.0000516900000000, 0.0002920200000000, 0.0000375000000000 ] - [ 0.0075513000000000, 0.0033204800000000, -0.0017237900000000 ] - [ 0.0002600900000000, -0.0003098000000000, -0.0000445500000000 ] - [ 0.0021441500000000, -0.0013642700000000, 0.0000302900000000 ] - [ -0.0000553200000000, 0.0002103500000000, -0.0001364200000000 ] - [ 0.0010204700000000, -0.0003507400000000, -0.0014194900000000 ] - [ 0.0000359900000000, 0.0003149300000000, 0.0000019300000000 ] - [ -0.0161577800000000, 0.0013770900000000, 0.0066256700000000 ] - [ -0.0005595600000000, 0.0008061000000000, -0.0010262600000000 ] - [ -0.0000646600000000, 0.0003989900000000, 0.0002901000000000 ] - [ 0.0026713000000000, -0.0002233700000000, -0.0011044600000000 ] - [ -0.0001152300000000, -0.0004649800000000, -0.0001536000000000 ] - [ 0.0034926900000000, 0.0084229900000000, -0.0431683800000000 ] - [ 0.0009713700000000, -0.0023110000000000, -0.0014789900000000 ] - [ 0.0000187800000000, -0.0000807000000000, 0.0002330100000000 ] - [ -0.0004029000000000, 0.0003778500000000, -0.0004800100000000 ] - [ 0.0000383100000000, 0.0011964000000000, 0.0007187600000000 ] - [ -0.0085275000000000, -0.0023164400000000, -0.0333521800000000 ] - [ -0.0004371400000000, -0.0002245300000000, 0.0005467100000000 ] - [ 0.0001650100000000, -0.0007726100000000, 0.0000936800000000 ] - [ -0.0002195100000000, -0.0003932000000000, 0.0001532700000000 ] - [ 0.0027071400000000, -0.0021135900000000, -0.0008546400000000 ] - [ 0.0000225500000000, -0.0003598400000000, -0.0022384400000000 ] - [ -0.0010475200000000, -0.0019176600000000, -0.0004261800000000 ] - [ -0.0007696900000000, 0.0009625000000000, -0.0004872600000000 ] - [ 0.0003039800000000, -0.0001490600000000, -0.0000102700000000 ] - [ -0.0000134700000000, -0.0007784900000000, -0.0000389600000000 ] - [ 0.0015151000000000, 0.0001583800000000, -0.0001661000000000 ] - [ 0.0004158500000000, 0.0009059500000000, -0.0002659800000000 ] - [ -0.0001115700000000, 0.0000513800000000, 0.0004339700000000 ] - [ 0.0093504500000000, 0.0093155500000000, 0.0113368100000000 ] - [ 0.0003175800000000, 0.0008534400000000, -0.0003588900000000 ] - [ -0.0006960000000000, -0.0001598500000000, 0.0000430400000000 ] - [ -0.0010313700000000, 0.0001852500000000, 0.0044320500000000 ] - [ -0.0020599600000000, 0.0036890700000000, 0.0009173900000000 ] - [ -0.0033600100000000, -0.0006740400000000, 0.0001658700000000 ] - [ -0.0010643000000000, 0.0008401100000000, 0.0023613400000000 ] - [ 0.0002383600000000, -0.0004565000000000, 0.0002336500000000 ] - [ 0.0002244500000000, -0.0000143700000000, 0.0001002000000000 ] - [ -0.0003724900000000, 0.0004938400000000, 0.0000064300000000 ] - [ 0.0048470800000000, 0.0012911300000000, 0.0186929900000000 ] - [ -0.0003317800000000, 0.0009445500000000, 0.0016130800000000 ] - [ 0.0001937500000000, -0.0003790700000000, -0.0001940500000000 ] - [ 0.0000507600000000, -0.0006181900000000, -0.0002826900000000 ] - [ -0.0020048700000000, 0.0004860700000000, -0.0011966700000000 ] - [ -0.0016073900000000, -0.0028229200000000, -0.0003000600000000 ] - [ -0.0000787400000000, 0.0000836200000000, -0.0002701700000000 ] - [ -0.0001748100000000, 0.0005474700000000, -0.0003161000000000 ] - [ -0.0003338400000000, -0.0007147300000000, 0.0012104200000000 ] - [ -0.0003664700000000, 0.0001772800000000, -0.0006069600000000 ] - [ 0.0071768400000000, -0.0017666100000000, -0.0350324000000000 ] - [ 0.0186397000000000, 0.0004722900000000, -0.0103414100000000 ] - [ -0.0016487500000000, -0.0003404400000000, 0.0013049100000000 ] - [ 0.0002726300000000, -0.0007388100000000, 0.0000943200000000 ] - [ -0.0001813800000000, 0.0000721100000000, -0.0000005600000000 ] - [ 0.0001606100000000, 0.0003193000000000, -0.0001951000000000 ] - [ 0.0001037900000000, -0.0000364600000000, 0.0000637700000000 ] - [ -0.0002070000000000, 0.0003210400000000, 0.0004046800000000 ] - [ 0.0001484400000000, 0.0005747100000000, -0.0003785500000000 ] - [ -0.0003132900000000, -0.0007710200000000, -0.0001658500000000 ] - [ 0.0006555200000000, -0.0048926000000000, 0.0151529900000000 ] - [ 0.0017574200000000, -0.0012166400000000, 0.0026183700000000 ] - [ -0.0005593400000000, -0.0016588800000000, 0.0005381300000000 ] - [ 0.0000469600000000, -0.0002973200000000, -0.0009255300000000 ] - [ 0.0003817900000000, 0.0000194300000000, 0.0002125800000000 ] - [ -0.0023270600000000, 0.0006863400000000, 0.0030344300000000 ] - [ -0.0003067200000000, -0.0003605400000000, 0.0001615800000000 ] - [ 0.0044009500000000, -0.0012455200000000, 0.0000006200000000 ] - [ -0.0019457900000000, -0.0002134800000000, -0.0015790100000000 ] - [ -0.0003404200000000, -0.0016604900000000, 0.0027267500000000 ] - [ -0.0008063500000000, -0.0003477300000000, -0.0008175800000000 ] - [ -0.0003328500000000, 0.0005053400000000, -0.0002556400000000 ] - [ -0.0002993000000000, 0.0000328400000000, 0.0015115500000000 ] - [ -0.0000172900000000, -0.0000027000000000, 0.0004354400000000 ] - [ 0.0008799900000000, 0.0020997300000000, -0.0033301200000000 ] - [ -0.0008538900000000, 0.0001976000000000, -0.0030066400000000 ] - [ 0.0006809300000000, 0.0001471400000000, -0.0001399800000000 ] - [ 0.0030238500000000, 0.0052068700000000, -0.0101834100000000 ] - [ -0.0012016200000000, 0.0008416700000000, -0.0006078300000000 ] - [ -0.0111762200000000, -0.0082107200000000, 0.0142742900000000 ] - [ -0.0021997700000000, 0.0008403600000000, 0.0018956900000000 ] - [ 0.0000421800000000, 0.0007278800000000, 0.0000593300000000 ] - [ -0.0047796300000000, 0.0009521900000000, -0.0009825200000000 ] - [ 0.0088642900000000, 0.0026368700000000, -0.0113861200000000 ] - [ -0.0002987900000000, -0.0002596700000000, 0.0013529900000000 ] - [ 0.0008422600000000, 0.0011689800000000, 0.0002743700000000 ] - [ 0.0003600200000000, -0.0003105400000000, 0.0001348000000000 ] - [ -0.0002301500000000, -0.0000188300000000, 0.0004130800000000 ] - [ 0.0000193700000000, -0.0004480900000000, 0.0004207300000000 ] - [ 0.0002743200000000, -0.0003186500000000, -0.0000473500000000 ] - [ -0.0001338200000000, 0.0001819900000000, -0.0001021400000000 ] - [ -0.0011553500000000, 0.0015673800000000, 0.0002301700000000 ] - [ -0.0001691600000000, 0.0011319400000000, 0.0009226900000000 ] - [ 0.0004163700000000, 0.0003182400000000, -0.0001729400000000 ] - [ -0.0000990100000000, -0.0003925800000000, -0.0006432600000000 ] - [ 0.0008377700000000, -0.0011923800000000, 0.0021070100000000 ] - [ 0.0015858500000000, 0.0000790400000000, 0.0017295700000000 ] - [ -0.0004588300000000, -0.0016135100000000, 0.0009173600000000 ] - [ -0.0000762600000000, -0.0009080200000000, -0.0010132800000000 ] - [ 0.0001472600000000, 0.0002415900000000, 0.0000334100000000 ] - [ 0.0011752700000000, -0.0008027000000000, -0.0014660200000000 ] - [ 0.0032195100000000, -0.0026416100000000, -0.0131331000000000 ] - [ 0.0004321700000000, 0.0005235800000000, -0.0002582000000000 ] - [ -0.0000224100000000, -0.0002133200000000, -0.0002365300000000 ] - [ 0.0017211200000000, -0.0008834000000000, 0.0011760200000000 ] - [ 0.0010181800000000, 0.0011595100000000, -0.0020437700000000 ] - [ -0.0010625500000000, 0.0028643100000000, -0.0005605600000000 ] - [ 0.0003425400000000, 0.0001930400000000, 0.0000544300000000 ] - [ 0.0080090100000000, 0.0022628200000000, -0.0559378700000000 ] - [ -0.0009116000000000, 0.0011114100000000, 0.0023823800000000 ] - [ 0.0097395000000000, 0.0012146200000000, -0.0126092600000000 ] - [ -0.0016170900000000, 0.0003848500000000, 0.0003942900000000 ] - [ 0.0003159900000000, 0.0001273600000000, 0.0004985700000000 ] - [ 0.0000720200000000, 0.0000735400000000, 0.0024591800000000 ] - [ 0.0001399400000000, -0.0003969900000000, 0.0007598600000000 ] - [ -0.0042568300000000, 0.0041364800000000, -0.0007856400000000 ] - [ 0.0001610000000000, -0.0001225400000000, 0.0002600100000000 ] - [ 0.0003889400000000, 0.0000043800000000, 0.0002330300000000 ] - [ -0.0008974600000000, -0.0001110600000000, -0.0003800500000000 ] - [ 0.0000716500000000, 0.0001741400000000, -0.0002203400000000 ] - [ -0.0001212100000000, 0.0000781700000000, -0.0000470600000000 ] - [ 0.0001496800000000, 0.0008547500000000, 0.0007648500000000 ] - [ -0.0000830700000000, -0.0003970700000000, 0.0005715700000000 ] - [ 0.0034484100000000, 0.0016934700000000, -0.0004241300000000 ]- atom: 27 displacement: [ 0.0099999639143206, 0.0000000000000000, -0.0000268647033593 ] forces: - [ 0.0000884400000000, -0.0003976700000000, -0.0001252100000000 ] - [ -0.0002503100000000, 0.0001070100000000, -0.0001449700000000 ] - [ 0.0032996600000000, -0.0035288000000000, -0.0064848000000000 ] - [ 0.0030058100000000, -0.0004879000000000, 0.0001301100000000 ] - [ -0.0001256200000000, -0.0003477300000000, -0.0000896100000000 ] - [ 0.0008761800000000, 0.0040524500000000, 0.0005283900000000 ] - [ -0.0000958000000000, 0.0001643600000000, -0.0000701100000000 ] - [ -0.0035584000000000, 0.0001039700000000, -0.0001785500000000 ] - [ -0.0001519200000000, -0.0000281400000000, -0.0000868700000000 ] - [ 0.0000836600000000, -0.0003751800000000, 0.0006698400000000 ] - [ 0.0000636600000000, 0.0005587400000000, 0.0003402700000000 ] - [ -0.0000009200000000, -0.0015605300000000, 0.0000742900000000 ] - [ 0.0004200800000000, -0.0000128100000000, 0.0000685500000000 ] - [ 0.0002327600000000, 0.0020767800000000, 0.0001117500000000 ] - [ 0.0002987700000000, 0.0001026200000000, 0.0000389100000000 ] - [ -0.0003172000000000, 0.0000116100000000, 0.0001155100000000 ] - [ -0.0000188200000000, 0.0009697500000000, -0.0011252500000000 ] - [ -0.0003435400000000, -0.0002407400000000, 0.0006942700000000 ] - [ -0.0003257400000000, 0.0001895000000000, -0.0001173600000000 ] - [ 0.0000309200000000, 0.0001510300000000, 0.0000045600000000 ] - [ 0.0002485200000000, -0.0000013600000000, -0.0000650200000000 ] - [ 0.0007618100000000, -0.0012549600000000, -0.0007988800000000 ] - [ 0.0061455700000000, -0.0004626000000000, -0.0010312100000000 ] - [ -0.0046485500000000, 0.0007210200000000, -0.0007262100000000 ] - [ -0.0011708400000000, -0.0001284100000000, 0.0006638500000000 ] - [ 0.0011509200000000, 0.0000039700000000, 0.0001133000000000 ] - [ -0.1593984700000000, -0.0024129800000000, 0.0084321200000000 ] - [ 0.0075942400000000, -0.0007473000000000, -0.0007376500000000 ] - [ 0.0000530600000000, 0.0002651100000000, -0.0003162400000000 ] - [ 0.0076179400000000, 0.0110396700000000, 0.0107508600000000 ] - [ 0.0000204200000000, -0.0003444000000000, 0.0005496000000000 ] - [ -0.0001252200000000, 0.0007489800000000, -0.0001565400000000 ] - [ -0.0001464400000000, 0.0007715500000000, 0.0001283600000000 ] - [ -0.0001885600000000, 0.0006135200000000, -0.0002110200000000 ] - [ -0.0009575200000000, 0.0001422400000000, -0.0002359300000000 ] - [ 0.0007442700000000, -0.0001460300000000, -0.0004368100000000 ] - [ -0.0001726100000000, -0.0002094000000000, -0.0016999900000000 ] - [ 0.0003707100000000, -0.0004615300000000, -0.0003870300000000 ] - [ -0.0170533300000000, -0.0077636900000000, 0.0061832000000000 ] - [ -0.0001652300000000, -0.0000774900000000, -0.0000402100000000 ] - [ 0.0035279900000000, -0.0102992000000000, -0.0100527500000000 ] - [ 0.0015917900000000, 0.0001720400000000, -0.0063176800000000 ] - [ -0.0015142300000000, 0.0003860300000000, 0.0001704600000000 ] - [ -0.0002820800000000, 0.0001209800000000, 0.0000798300000000 ] - [ 0.0076309200000000, -0.0004070000000000, -0.0009436000000000 ] - [ 0.0040997400000000, 0.0095664300000000, 0.0160570700000000 ] - [ 0.0003971500000000, -0.0014198300000000, 0.0065074400000000 ] - [ 0.0012067000000000, -0.0000810000000000, 0.0008482600000000 ] - [ -0.0000513900000000, 0.0005407700000000, -0.0002303800000000 ] - [ 0.0000506700000000, 0.0004294300000000, 0.0000909800000000 ] - [ 0.0272194700000000, 0.0184098700000000, -0.0103048800000000 ] - [ -0.0001189700000000, 0.0001720400000000, 0.0011584100000000 ] - [ 0.0182802000000000, 0.0025285900000000, -0.0095018300000000 ] - [ -0.0001606700000000, 0.0002044400000000, 0.0000789200000000 ] - [ 0.0006361100000000, 0.0013900400000000, 0.0001907900000000 ] - [ -0.0004454700000000, 0.0000412000000000, 0.0000803700000000 ] - [ 0.0001768000000000, -0.0001943700000000, -0.0001208800000000 ] - [ 0.0000855500000000, -0.0002078400000000, -0.0001458600000000 ] - [ 0.0211573000000000, -0.0106692800000000, 0.0033035400000000 ] - [ 0.0029710100000000, -0.0008835100000000, -0.0000943000000000 ] - [ 0.0006281800000000, 0.0002156600000000, 0.0021727000000000 ] - [ 0.0000942200000000, -0.0000130400000000, 0.0001809600000000 ] - [ -0.0002764000000000, -0.0002546000000000, 0.0003666200000000 ] - [ -0.0040737100000000, -0.0009079700000000, 0.0003855400000000 ] - [ 0.0003841700000000, 0.0000766300000000, -0.0000441600000000 ] - [ 0.0196337800000000, -0.0219613400000000, 0.0105309100000000 ] - [ -0.0101478500000000, 0.0038846700000000, -0.0116140500000000 ] - [ -0.0003478000000000, 0.0010314000000000, -0.0022203600000000 ] - [ -0.0003656600000000, 0.0007183800000000, 0.0005375300000000 ] - [ 0.0001896000000000, 0.0001925400000000, -0.0001111500000000 ] - [ 0.0047698300000000, 0.0026717900000000, -0.0003422400000000 ] - [ 0.0010451600000000, 0.0004781800000000, -0.0000485000000000 ] - [ 0.0007829900000000, -0.0000062300000000, 0.0006711700000000 ] - [ -0.0001352200000000, 0.0000263800000000, 0.0005615900000000 ] - [ 0.0002038200000000, -0.0000107100000000, -0.0004144900000000 ] - [ -0.0000737900000000, 0.0000550500000000, -0.0001197500000000 ] - [ 0.0000663600000000, -0.0000997100000000, -0.0000785800000000 ] - [ -0.0013926200000000, -0.0005724700000000, 0.0001213700000000 ] - [ 0.0028767400000000, -0.0006545100000000, 0.0002391400000000 ] - [ -0.0056840700000000, -0.0039686800000000, 0.0010252300000000 ] - [ -0.0005221000000000, 0.0006877400000000, -0.0000009600000000 ] - [ 0.0020735100000000, 0.0001833000000000, -0.0009463600000000 ] - [ -0.0002955100000000, -0.0001531400000000, 0.0002809200000000 ] - [ -0.0011471200000000, -0.0000592700000000, -0.0000013900000000 ] - [ 0.0107933600000000, -0.0008566000000000, -0.0003608500000000 ] - [ 0.0002178300000000, -0.0000132100000000, 0.0001028600000000 ] - [ 0.0001724600000000, -0.0000503500000000, -0.0001674900000000 ] - [ 0.0002547600000000, -0.0000477200000000, -0.0002386100000000 ] - [ -0.0001983600000000, -0.0000603900000000, -0.0000592200000000 ] - [ -0.0002227000000000, -0.0009224700000000, -0.0001925000000000 ] - [ -0.0015541400000000, 0.0001274500000000, -0.0005215100000000 ] - [ 0.0019845500000000, 0.0000890000000000, 0.0001222200000000 ] - [ -0.0007731400000000, -0.0000772200000000, 0.0004247600000000 ] - [ -0.0068706900000000, 0.0049533100000000, -0.0123011900000000 ] - [ -0.0057382300000000, 0.0020229500000000, 0.0061759300000000 ] - [ -0.0041287300000000, 0.0085121800000000, -0.0005493800000000 ] - [ 0.0024985500000000, 0.0022230400000000, 0.0006400300000000 ] - [ 0.0001182900000000, -0.0005894700000000, -0.0001788900000000 ] - [ -0.0027393600000000, -0.0005668900000000, 0.0017442900000000 ] - [ 0.0072111300000000, -0.0025044000000000, 0.0040673300000000 ] - [ 0.0001111100000000, -0.0002300100000000, -0.0033494700000000 ] - [ 0.0152666100000000, -0.0036333700000000, 0.0030867700000000 ] - [ 0.0001439900000000, -0.0000566500000000, 0.0003135000000000 ] - [ -0.0000613300000000, -0.0008569800000000, 0.0000682200000000 ] - [ 0.0009313800000000, 0.0000523900000000, -0.0003267300000000 ] - [ -0.0017200300000000, 0.0001112200000000, -0.0012279600000000 ] - [ -0.0032827300000000, -0.0000798000000000, -0.0007601800000000 ] - [ 0.0002194600000000, 0.0002077400000000, -0.0008699200000000 ] - [ 0.0005021400000000, -0.0002167800000000, 0.0000194200000000 ] - [ 0.0015837800000000, -0.0013861200000000, 0.0032750800000000 ] - [ -0.0000914100000000, -0.0005929100000000, 0.0003897800000000 ] - [ 0.0005195000000000, -0.0002055500000000, 0.0000781300000000 ] - [ 0.0002115500000000, 0.0002320000000000, -0.0002616700000000 ] - [ 0.0001510500000000, -0.0005099500000000, 0.0004353800000000 ] - [ -0.0001037000000000, -0.0012653200000000, -0.0023853300000000 ] - [ 0.0002163600000000, 0.0000945200000000, -0.0000840300000000 ] - [ -0.0005248700000000, -0.0002438400000000, 0.0006850100000000 ] - [ 0.0003420700000000, 0.0004201400000000, 0.0001393000000000 ] - [ 0.0001826400000000, -0.0012034500000000, -0.0001702300000000 ] - [ -0.0034894700000000, 0.0006013100000000, 0.0004207200000000 ] - [ 0.0046543100000000, 0.0001840200000000, -0.0018450500000000 ] - [ -0.0002089400000000, -0.0001874500000000, 0.0001344200000000 ] - [ 0.0003120200000000, 0.0000153800000000, -0.0002036700000000 ] - [ 0.0008426600000000, 0.0011225700000000, -0.0002647300000000 ] - [ -0.0001403900000000, -0.0004783000000000, -0.0000051100000000 ] - [ 0.0002259600000000, 0.0001143100000000, 0.0017076600000000 ] - [ -0.0002795400000000, -0.0001821400000000, -0.0002780500000000 ] - [ 0.0002924600000000, -0.0002175400000000, -0.0003527500000000 ] - [ -0.0084047700000000, -0.0028437100000000, 0.0012986400000000 ] - [ 0.0003475600000000, 0.0002607200000000, -0.0000906400000000 ] - [ -0.0002722700000000, 0.0000646500000000, -0.0003102400000000 ] - [ -0.0004941900000000, -0.0000784100000000, 0.0000597900000000 ] - [ -0.0003513300000000, 0.0006617900000000, -0.0004306200000000 ] - [ 0.0010388400000000, 0.0008453300000000, -0.0003815500000000 ] - [ -0.0002437400000000, 0.0002510400000000, -0.0000020500000000 ] - [ -0.0021460200000000, 0.0013084400000000, 0.0007043200000000 ] - [ 0.0006156700000000, -0.0002201800000000, 0.0000484300000000 ] - [ -0.0060696000000000, -0.0062150600000000, 0.0116854000000000 ] - [ -0.0000200400000000, 0.0004648900000000, -0.0001983500000000 ] - [ 0.0016783500000000, 0.0007808200000000, 0.0016675300000000 ] - [ -0.0000122600000000, -0.0004585200000000, 0.0002370200000000 ] - [ -0.0006733600000000, 0.0000343700000000, 0.0010734600000000 ] - [ 0.0004209400000000, -0.0027226400000000, -0.0020362200000000 ] - [ 0.0374334100000000, -0.0082270100000000, 0.0077014000000000 ] - [ -0.0025123400000000, 0.0010410800000000, 0.0000911900000000 ] - [ -0.0053035200000000, -0.0037766800000000, -0.0001866400000000 ] - [ -0.0000196300000000, 0.0002115500000000, 0.0027054800000000 ] - [ -0.0005994800000000, -0.0003803200000000, 0.0000911300000000 ] - [ -0.0005828500000000, -0.0010453900000000, 0.0002815600000000 ] - [ 0.0001024500000000, -0.0002279400000000, 0.0000379700000000 ] - [ 0.0001748000000000, -0.0007349500000000, -0.0002988700000000 ] - [ -0.0000653800000000, -0.0000724500000000, -0.0003389000000000 ] - [ 0.0001307900000000, -0.0000669000000000, -0.0003460300000000 ] - [ 0.0000158700000000, 0.0005322700000000, 0.0000920800000000 ] - [ 0.0421124300000000, 0.0211577700000000, -0.0208157300000000 ] - [ -0.0110967300000000, -0.0000424900000000, -0.0012726700000000 ] - [ 0.0004985400000000, -0.0012500100000000, 0.0007518800000000 ] - [ -0.0113234500000000, -0.0053726900000000, -0.0053626100000000 ] - [ -0.0061211500000000, 0.0109004900000000, 0.0035728300000000 ] - [ -0.0018640600000000, -0.0000864800000000, 0.0009066000000000 ] - [ -0.0005004500000000, 0.0000054400000000, -0.0005010100000000 ] - [ 0.0000407700000000, 0.0004214300000000, 0.0001740900000000 ] - [ -0.0029364500000000, -0.0014359900000000, -0.0008424400000000 ] - [ 0.0003688500000000, 0.0000460700000000, -0.0001533600000000 ] - [ -0.0002267700000000, 0.0000401300000000, 0.0002021400000000 ] - [ 0.0004798300000000, -0.0005588900000000, 0.0001452100000000 ] - [ -0.0001039500000000, 0.0000637200000000, 0.0005737300000000 ] - [ 0.0002478100000000, 0.0000891800000000, -0.0001823700000000 ] - [ -0.0001089900000000, -0.0001359100000000, 0.0000275700000000 ] - [ -0.0020445800000000, 0.0000850400000000, -0.0019090900000000 ] - [ 0.0029693300000000, 0.0030959300000000, -0.0037642300000000 ] - [ 0.0160993200000000, -0.0040672100000000, 0.0040305800000000 ] - [ -0.0000840400000000, 0.0006319400000000, 0.0004993200000000 ] - [ -0.0002803000000000, -0.0000838000000000, -0.0001584000000000 ] - [ 0.0030046900000000, 0.0001170600000000, -0.0023018800000000 ] - [ 0.0002117600000000, -0.0000203000000000, -0.0001696100000000 ]- atom: 27 displacement: [ -0.0099999639143206, 0.0000000000000000, 0.0000268647033593 ] forces: - [ 0.0001037100000000, 0.0001807600000000, 0.0003115500000000 ] - [ 0.0001204900000000, 0.0003453700000000, 0.0000932200000000 ] - [ -0.0026829000000000, 0.0035005600000000, 0.0063055800000000 ] - [ -0.0029213700000000, -0.0001717000000000, 0.0001415700000000 ] - [ 0.0000335100000000, -0.0003187700000000, -0.0001894200000000 ] - [ -0.0010533700000000, -0.0042939300000000, -0.0007140900000000 ] - [ -0.0000937300000000, 0.0000541500000000, -0.0001163400000000 ] - [ 0.0044298300000000, 0.0002336200000000, 0.0003612500000000 ] - [ 0.0002116100000000, -0.0000808700000000, -0.0000332500000000 ] - [ -0.0001460700000000, 0.0004838300000000, -0.0005528000000000 ] - [ 0.0000262500000000, 0.0001102600000000, -0.0000633000000000 ] - [ 0.0001365500000000, 0.0011264400000000, -0.0000174700000000 ] - [ 0.0004494400000000, -0.0003240200000000, 0.0001522800000000 ] - [ -0.0001768100000000, -0.0019636900000000, -0.0002276200000000 ] - [ -0.0003603700000000, -0.0002142300000000, 0.0000785400000000 ] - [ -0.0003019300000000, -0.0000194300000000, 0.0000266500000000 ] - [ -0.0001082700000000, -0.0014137100000000, 0.0010677600000000 ] - [ -0.0005264700000000, -0.0001015600000000, -0.0009147100000000 ] - [ -0.0005446800000000, 0.0001516700000000, -0.0001027700000000 ] - [ 0.0001009400000000, 0.0002929700000000, 0.0000502700000000 ] - [ 0.0003709300000000, 0.0000123500000000, -0.0000786800000000 ] - [ -0.0008721100000000, 0.0019213100000000, 0.0005200600000000 ] - [ -0.0067858400000000, 0.0004690900000000, 0.0011812000000000 ] - [ 0.0048476200000000, -0.0005169000000000, 0.0009271100000000 ] - [ 0.0016759600000000, -0.0002050300000000, 0.0002393400000000 ] - [ -0.0010704900000000, -0.0004697100000000, 0.0001707000000000 ] - [ 0.1594196900000000, -0.0004192000000000, -0.0057205200000000 ] - [ -0.0081052100000000, 0.0004094700000000, -0.0001595100000000 ] - [ -0.0001410700000000, 0.0002162500000000, 0.0000378400000000 ] - [ -0.0074171200000000, -0.0106686300000000, -0.0115348500000000 ] - [ -0.0002091900000000, 0.0006713000000000, 0.0003051900000000 ] - [ 0.0002475700000000, -0.0003719800000000, 0.0002314900000000 ] - [ -0.0002438100000000, 0.0002592100000000, 0.0005382600000000 ] - [ -0.0003185200000000, -0.0002850900000000, -0.0006933000000000 ] - [ 0.0008473200000000, -0.0005073100000000, 0.0001599400000000 ] - [ -0.0005643400000000, -0.0001654100000000, -0.0004239300000000 ] - [ 0.0005463400000000, 0.0003858700000000, 0.0016000500000000 ] - [ 0.0000187900000000, -0.0005596900000000, -0.0002804600000000 ] - [ 0.0168832100000000, 0.0073726300000000, -0.0065933900000000 ] - [ 0.0005425400000000, -0.0000999400000000, -0.0000591600000000 ] - [ -0.0035908600000000, 0.0107417300000000, 0.0100606600000000 ] - [ -0.0010883200000000, 0.0001551700000000, 0.0072163000000000 ] - [ 0.0016304200000000, -0.0007504000000000, -0.0000485700000000 ] - [ -0.0000912600000000, 0.0000721500000000, 0.0000223500000000 ] - [ -0.0080209500000000, 0.0002118800000000, 0.0010612600000000 ] - [ -0.0036564100000000, -0.0086372600000000, -0.0168533200000000 ] - [ -0.0003082200000000, 0.0019018500000000, -0.0062618500000000 ] - [ -0.0013901100000000, -0.0002476200000000, -0.0000039400000000 ] - [ -0.0002804600000000, -0.0010166800000000, 0.0001822100000000 ] - [ 0.0000106500000000, -0.0000454600000000, 0.0000719100000000 ] - [ -0.0267325800000000, -0.0182045600000000, 0.0094823300000000 ] - [ 0.0004121300000000, -0.0003182000000000, -0.0006266200000000 ] - [ -0.0178517000000000, -0.0019920900000000, 0.0093465000000000 ] - [ -0.0002491800000000, 0.0004728000000000, 0.0001487800000000 ] - [ -0.0002996800000000, -0.0018689300000000, -0.0001428500000000 ] - [ 0.0007378000000000, -0.0008084100000000, -0.0005346500000000 ] - [ -0.0001544800000000, 0.0007966700000000, -0.0000914700000000 ] - [ 0.0003284300000000, -0.0004618500000000, -0.0000841400000000 ] - [ -0.0211560500000000, 0.0110124600000000, -0.0033474400000000 ] - [ -0.0030007600000000, 0.0002883600000000, 0.0003110200000000 ] - [ -0.0009249500000000, -0.0000715600000000, -0.0027198100000000 ] - [ 0.0001976000000000, 0.0001575000000000, 0.0003638800000000 ] - [ 0.0002499600000000, 0.0008674100000000, -0.0001533100000000 ] - [ 0.0036653900000000, 0.0002157000000000, -0.0001518100000000 ] - [ -0.0006748800000000, -0.0002164900000000, -0.0005036500000000 ] - [ -0.0196117100000000, 0.0218807000000000, -0.0108441300000000 ] - [ 0.0098689900000000, -0.0035199800000000, 0.0118911800000000 ] - [ 0.0006428000000000, -0.0002587100000000, 0.0017627400000000 ] - [ 0.0000758400000000, 0.0000528600000000, -0.0000764900000000 ] - [ 0.0000680300000000, 0.0000721600000000, -0.0000279100000000 ] - [ -0.0052287900000000, -0.0027661700000000, 0.0010472200000000 ] - [ -0.0007156500000000, 0.0000004800000000, 0.0000967600000000 ] - [ -0.0010753300000000, -0.0007695600000000, -0.0002055900000000 ] - [ -0.0003045700000000, 0.0000524300000000, 0.0001347000000000 ] - [ 0.0002322700000000, -0.0000678100000000, -0.0002884500000000 ] - [ -0.0001812100000000, -0.0003133000000000, 0.0002566100000000 ] - [ -0.0001306100000000, -0.0002784000000000, -0.0000844500000000 ] - [ 0.0014241900000000, -0.0000188300000000, -0.0003381000000000 ] - [ -0.0028185300000000, 0.0002695700000000, -0.0000789700000000 ] - [ 0.0053196400000000, 0.0043438800000000, -0.0010940300000000 ] - [ 0.0010458500000000, 0.0001017000000000, 0.0000617600000000 ] - [ -0.0022062200000000, -0.0001975600000000, 0.0018250600000000 ] - [ -0.0002729300000000, -0.0000454800000000, 0.0001815200000000 ] - [ 0.0008507500000000, 0.0008170600000000, -0.0002428600000000 ] - [ -0.0106911600000000, 0.0007145400000000, 0.0009284500000000 ] - [ 0.0002517400000000, 0.0000831300000000, 0.0000915600000000 ] - [ 0.0002883700000000, -0.0000376700000000, -0.0000771600000000 ] - [ -0.0008004100000000, 0.0001254500000000, 0.0000321700000000 ] - [ -0.0001842100000000, -0.0000183400000000, 0.0004398300000000 ] - [ 0.0007393200000000, 0.0001361300000000, 0.0002550300000000 ] - [ 0.0018007900000000, 0.0000153600000000, 0.0008073700000000 ] - [ -0.0022438000000000, 0.0009702800000000, 0.0002325400000000 ] - [ 0.0002916900000000, 0.0005773800000000, 0.0004157500000000 ] - [ 0.0074930600000000, -0.0049808200000000, 0.0129503200000000 ] - [ 0.0056025500000000, -0.0031792600000000, -0.0058912100000000 ] - [ 0.0043676700000000, -0.0095975300000000, 0.0001730400000000 ] - [ -0.0022277700000000, -0.0014272400000000, -0.0003936100000000 ] - [ 0.0000309000000000, -0.0006053100000000, -0.0001560000000000 ] - [ 0.0023615200000000, 0.0006564300000000, -0.0013717100000000 ] - [ -0.0079270900000000, 0.0031580600000000, -0.0038559800000000 ] - [ 0.0000226500000000, 0.0002487300000000, 0.0025019800000000 ] - [ -0.0158099900000000, 0.0034464600000000, -0.0037108100000000 ] - [ 0.0004327300000000, 0.0000822500000000, 0.0002749900000000 ] - [ -0.0001597200000000, -0.0002516000000000, 0.0002984300000000 ] - [ -0.0006829200000000, -0.0011293600000000, -0.0000210700000000 ] - [ 0.0014599200000000, 0.0000010700000000, 0.0014277200000000 ] - [ 0.0028255200000000, 0.0001607800000000, 0.0005772200000000 ] - [ 0.0002637700000000, 0.0002970000000000, 0.0000377000000000 ] - [ -0.0002420800000000, 0.0001074600000000, -0.0002167800000000 ] - [ -0.0018941900000000, 0.0018855000000000, -0.0027564800000000 ] - [ -0.0002380700000000, 0.0000412600000000, 0.0002025000000000 ] - [ 0.0000244400000000, 0.0001201400000000, 0.0001268400000000 ] - [ 0.0001149800000000, 0.0003129200000000, -0.0003257100000000 ] - [ -0.0000716200000000, 0.0005837000000000, 0.0002286700000000 ] - [ -0.0003668200000000, 0.0007589900000000, 0.0032251700000000 ] - [ 0.0000466500000000, 0.0000151600000000, -0.0001201600000000 ] - [ 0.0010709200000000, 0.0003324000000000, -0.0004844300000000 ] - [ -0.0000267700000000, -0.0003256400000000, 0.0001938000000000 ] - [ -0.0004840200000000, 0.0004482500000000, -0.0000769200000000 ] - [ 0.0038070300000000, -0.0007120500000000, -0.0000972700000000 ] - [ -0.0051364000000000, 0.0006221200000000, 0.0017831400000000 ] - [ -0.0000799400000000, -0.0000385500000000, 0.0002001700000000 ] - [ -0.0006316700000000, -0.0001285400000000, -0.0001303300000000 ] - [ -0.0006353400000000, -0.0008112400000000, 0.0003923300000000 ] - [ -0.0002645900000000, -0.0004000800000000, -0.0000462700000000 ] - [ -0.0004756100000000, -0.0002484300000000, -0.0020013300000000 ] - [ 0.0001985700000000, 0.0001047800000000, -0.0003842200000000 ] - [ -0.0005402400000000, 0.0003530800000000, 0.0000559700000000 ] - [ 0.0093230100000000, 0.0030149200000000, -0.0011810100000000 ] - [ 0.0005947400000000, 0.0003041700000000, -0.0000371800000000 ] - [ -0.0001946200000000, -0.0001376200000000, 0.0001215800000000 ] - [ 0.0002286900000000, -0.0000378400000000, 0.0001447000000000 ] - [ 0.0001503600000000, -0.0009960200000000, 0.0003134500000000 ] - [ -0.0008872700000000, 0.0003594000000000, 0.0000375700000000 ] - [ -0.0007095900000000, -0.0000989400000000, -0.0001246500000000 ] - [ 0.0023979900000000, -0.0002426200000000, -0.0010606000000000 ] - [ 0.0003364400000000, 0.0000641300000000, 0.0000778200000000 ] - [ 0.0064811900000000, 0.0061407300000000, -0.0120688700000000 ] - [ 0.0002458600000000, 0.0006394500000000, -0.0001686000000000 ] - [ -0.0026253800000000, -0.0009268600000000, -0.0017916200000000 ] - [ -0.0002347600000000, -0.0006149000000000, 0.0001085900000000 ] - [ 0.0001268100000000, -0.0001184900000000, -0.0012867800000000 ] - [ -0.0005148500000000, 0.0028093800000000, 0.0013719100000000 ] - [ -0.0403016800000000, 0.0092602600000000, -0.0082493900000000 ] - [ 0.0022932100000000, 0.0000648100000000, 0.0002806600000000 ] - [ 0.0057826800000000, 0.0038894700000000, -0.0000470600000000 ] - [ -0.0002193400000000, -0.0003634200000000, -0.0022745300000000 ] - [ -0.0003396900000000, -0.0001902800000000, 0.0000370400000000 ] - [ 0.0000624500000000, 0.0002563600000000, -0.0003411400000000 ] - [ 0.0001436400000000, 0.0000895200000000, 0.0002529200000000 ] - [ 0.0000550500000000, 0.0005849200000000, -0.0001358700000000 ] - [ 0.0002978500000000, 0.0002239600000000, -0.0001050700000000 ] - [ 0.0003535500000000, -0.0004384500000000, -0.0004935200000000 ] - [ 0.0003855300000000, 0.0003397200000000, -0.0000415300000000 ] - [ -0.0409807800000000, -0.0198820700000000, 0.0197378900000000 ] - [ 0.0108289500000000, 0.0002783700000000, 0.0015749500000000 ] - [ -0.0002051400000000, 0.0004935500000000, -0.0005076700000000 ] - [ 0.0117896700000000, 0.0052748600000000, 0.0055613000000000 ] - [ 0.0064943000000000, -0.0115397300000000, -0.0041909300000000 ] - [ 0.0021567900000000, -0.0001319200000000, -0.0012356900000000 ] - [ 0.0006349900000000, -0.0000281700000000, -0.0003526100000000 ] - [ -0.0001916000000000, 0.0007651200000000, 0.0001608500000000 ] - [ 0.0027372300000000, 0.0017544400000000, 0.0007198400000000 ] - [ 0.0000147300000000, 0.0000310300000000, -0.0002237300000000 ] - [ -0.0002310100000000, 0.0000435900000000, 0.0000429600000000 ] - [ -0.0007128900000000, 0.0007057000000000, 0.0002866200000000 ] - [ -0.0000275700000000, -0.0000480000000000, 0.0002774600000000 ] - [ 0.0000432200000000, 0.0001301500000000, -0.0001513000000000 ] - [ 0.0003149400000000, -0.0001900000000000, 0.0000942000000000 ] - [ 0.0029866200000000, -0.0006481000000000, 0.0017876200000000 ] - [ -0.0032797500000000, -0.0026522200000000, 0.0043936100000000 ] - [ -0.0156105400000000, 0.0039044300000000, -0.0045935000000000 ] - [ -0.0002274000000000, -0.0005247100000000, -0.0008347900000000 ] - [ -0.0002972100000000, 0.0000529600000000, -0.0004317100000000 ] - [ -0.0026171400000000, -0.0009824800000000, 0.0023580600000000 ] - [ 0.0003544100000000, 0.0002146900000000, -0.0002921100000000 ]- atom: 27 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003207000000000, 0.0009248400000000, 0.0008171800000000 ] - [ 0.0001335600000000, 0.0022840600000000, 0.0004677200000000 ] - [ -0.0019815300000000, -0.0044339100000000, 0.0014153300000000 ] - [ 0.0004614600000000, 0.0001437200000000, -0.0006300900000000 ] - [ -0.0000297500000000, 0.0002938900000000, -0.0004577400000000 ] - [ 0.0042138700000000, 0.0030100300000000, 0.0004058500000000 ] - [ -0.0000658900000000, 0.0007774800000000, -0.0000034700000000 ] - [ 0.0002718500000000, -0.0047587700000000, 0.0017796000000000 ] - [ 0.0001400800000000, -0.0000945000000000, 0.0006911100000000 ] - [ -0.0003651500000000, 0.0004478600000000, -0.0004575600000000 ] - [ 0.0004347600000000, 0.0007258300000000, 0.0007849400000000 ] - [ -0.0006037700000000, 0.0014932400000000, -0.0004825000000000 ] - [ 0.0004658600000000, 0.0009045600000000, 0.0000016300000000 ] - [ 0.0008914200000000, 0.0020548500000000, -0.0006890000000000 ] - [ -0.0001937600000000, 0.0006142700000000, 0.0003767700000000 ] - [ -0.0002280600000000, 0.0007554200000000, 0.0000720500000000 ] - [ 0.0006693800000000, 0.0004349300000000, -0.0013210100000000 ] - [ -0.0004262900000000, -0.0012991400000000, -0.0000127400000000 ] - [ -0.0004682500000000, 0.0012323100000000, -0.0001070600000000 ] - [ -0.0000351400000000, -0.0001944700000000, 0.0000501100000000 ] - [ 0.0003725000000000, 0.0011665500000000, -0.0001694600000000 ] - [ -0.0031020800000000, 0.0025412100000000, 0.0002596300000000 ] - [ -0.0001249400000000, -0.0026857400000000, 0.0006432100000000 ] - [ -0.0008295200000000, 0.0033845500000000, -0.0063560100000000 ] - [ 0.0014337200000000, 0.0078624700000000, 0.0019678500000000 ] - [ 0.0001105200000000, 0.0025276400000000, 0.0007939900000000 ] - [ -0.0015218400000000, -0.1676659500000000, 0.0134090000000000 ] - [ -0.0006131900000000, 0.0002942500000000, -0.0014607500000000 ] - [ -0.0005182700000000, 0.0023901200000000, 0.0005465900000000 ] - [ 0.0073809300000000, -0.0071816800000000, 0.0076690900000000 ] - [ -0.0011054900000000, 0.0045935300000000, -0.0001991800000000 ] - [ 0.0015974300000000, 0.0042547200000000, -0.0004181000000000 ] - [ -0.0004421000000000, 0.0030504100000000, 0.0003891600000000 ] - [ 0.0001321700000000, 0.0024160400000000, -0.0002348600000000 ] - [ -0.0003574600000000, 0.0018027700000000, -0.0011333400000000 ] - [ 0.0002385600000000, 0.0017448100000000, -0.0007197200000000 ] - [ 0.0001011900000000, -0.0040677200000000, -0.0002435600000000 ] - [ 0.0001363100000000, 0.0023672200000000, -0.0003157100000000 ] - [ -0.0094868000000000, 0.0215703600000000, -0.0282908900000000 ] - [ 0.0003690100000000, 0.0046718800000000, -0.0000187600000000 ] - [ -0.0167674200000000, 0.0002516700000000, 0.0090784500000000 ] - [ 0.0007669500000000, -0.0014452800000000, -0.0042946000000000 ] - [ 0.0002970400000000, -0.0000138000000000, 0.0075079700000000 ] - [ -0.0001561500000000, 0.0031261200000000, -0.0002766100000000 ] - [ 0.0002992400000000, -0.0056845400000000, -0.0009607600000000 ] - [ 0.0093118100000000, -0.0113665100000000, 0.0009515800000000 ] - [ 0.0001309600000000, -0.0014818100000000, -0.0015951600000000 ] - [ 0.0000871100000000, -0.0020231200000000, 0.0005455000000000 ] - [ -0.0001597400000000, 0.0010934600000000, -0.0001629200000000 ] - [ 0.0001287300000000, 0.0030641000000000, 0.0000958500000000 ] - [ 0.0178430600000000, 0.0114071000000000, -0.0066888300000000 ] - [ 0.0009912500000000, -0.0016060800000000, -0.0036776800000000 ] - [ 0.0174625800000000, -0.0134166000000000, -0.0079914500000000 ] - [ -0.0009901700000000, 0.0030901000000000, -0.0006261000000000 ] - [ 0.0009901500000000, 0.0007619900000000, 0.0002181800000000 ] - [ -0.0012437400000000, 0.0013348100000000, -0.0000889200000000 ] - [ -0.0007219100000000, 0.0002859500000000, 0.0002954600000000 ] - [ 0.0001663600000000, 0.0014621200000000, -0.0005797700000000 ] - [ -0.0059108400000000, -0.0022960300000000, -0.0018270100000000 ] - [ -0.0003857700000000, -0.0012707100000000, 0.0005184700000000 ] - [ 0.0018526000000000, -0.0012033400000000, 0.0006913200000000 ] - [ 0.0009282900000000, 0.0010360400000000, 0.0001500000000000 ] - [ -0.0001780400000000, 0.0014467900000000, 0.0000721300000000 ] - [ -0.0010934700000000, -0.0048337500000000, -0.0001699800000000 ] - [ 0.0006391500000000, 0.0007793900000000, -0.0010273200000000 ] - [ -0.0069508600000000, 0.0027670700000000, -0.0071761300000000 ] - [ 0.0010181200000000, 0.0172505100000000, 0.0304037500000000 ] - [ -0.0015032500000000, -0.0026764100000000, 0.0019952200000000 ] - [ -0.0008194000000000, 0.0021184400000000, 0.0015882900000000 ] - [ 0.0006295500000000, 0.0012135000000000, 0.0001148100000000 ] - [ -0.0006263600000000, -0.0007946300000000, 0.0014999000000000 ] - [ 0.0000336700000000, 0.0021408800000000, -0.0001139900000000 ] - [ -0.0008766600000000, -0.0011923100000000, 0.0002355000000000 ] - [ -0.0011795600000000, 0.0007618600000000, 0.0002692200000000 ] - [ -0.0005932400000000, 0.0010779100000000, 0.0013149200000000 ] - [ 0.0005265400000000, 0.0016109100000000, -0.0006137900000000 ] - [ -0.0001012400000000, 0.0014792100000000, -0.0000639100000000 ] - [ 0.0000288000000000, 0.0044667700000000, -0.0003506200000000 ] - [ 0.0003733600000000, -0.0031446800000000, -0.0001855400000000 ] - [ 0.0045217800000000, 0.0280451700000000, 0.0057591800000000 ] - [ 0.0004304300000000, -0.0007706400000000, 0.0003049700000000 ] - [ -0.0002322300000000, 0.0008065500000000, 0.0073949600000000 ] - [ -0.0006170400000000, -0.0012446500000000, 0.0001851900000000 ] - [ -0.0005891000000000, -0.0011034400000000, 0.0002756600000000 ] - [ 0.0006956900000000, 0.0229426000000000, 0.0114549900000000 ] - [ 0.0001625800000000, -0.0005436100000000, -0.0005333300000000 ] - [ 0.0010653400000000, -0.0012461500000000, -0.0003341200000000 ] - [ 0.0006135400000000, -0.0019416200000000, 0.0001768500000000 ] - [ -0.0000102200000000, -0.0007253200000000, 0.0000802000000000 ] - [ -0.0004300800000000, -0.0010618900000000, -0.0000519900000000 ] - [ 0.0003415200000000, 0.0011970400000000, 0.0009713400000000 ] - [ -0.0010240500000000, -0.0044679200000000, 0.0013104500000000 ] - [ -0.0006517700000000, -0.0006816700000000, 0.0009118900000000 ] - [ 0.0013947600000000, 0.0014208000000000, 0.0052550200000000 ] - [ -0.0014969100000000, 0.0127830600000000, 0.0007178800000000 ] - [ 0.0042749200000000, 0.0021189700000000, 0.0019814500000000 ] - [ 0.0033728400000000, -0.0102639200000000, -0.0019527300000000 ] - [ 0.0001895500000000, -0.0036813700000000, 0.0001054300000000 ] - [ 0.0000758100000000, 0.0007146900000000, -0.0005460100000000 ] - [ -0.0062598000000000, 0.0131508800000000, 0.0023684300000000 ] - [ -0.0004282000000000, 0.0006399000000000, -0.0009857200000000 ] - [ -0.0048976600000000, 0.0163865100000000, -0.0022315500000000 ] - [ 0.0000823800000000, -0.0011161300000000, -0.0002202200000000 ] - [ -0.0011216900000000, -0.0031252800000000, -0.0000515900000000 ] - [ 0.0007576200000000, -0.0011339600000000, 0.0005648200000000 ] - [ -0.0017563700000000, 0.0022990500000000, -0.0000817500000000 ] - [ 0.0001615200000000, 0.0006152900000000, -0.0011673000000000 ] - [ 0.0005091900000000, 0.0006110700000000, 0.0011746000000000 ] - [ -0.0011760000000000, 0.0019331000000000, 0.0012863900000000 ] - [ 0.0009190800000000, -0.0069857000000000, -0.0114614400000000 ] - [ -0.0005404700000000, -0.0017604700000000, 0.0013386400000000 ] - [ 0.0006874800000000, -0.0019410000000000, 0.0000698900000000 ] - [ 0.0000166000000000, -0.0003632200000000, -0.0000196200000000 ] - [ 0.0000524500000000, -0.0013195300000000, 0.0006234300000000 ] - [ -0.0018125200000000, 0.0012782400000000, -0.0020199500000000 ] - [ -0.0006297100000000, -0.0016446300000000, 0.0000682300000000 ] - [ 0.0006649500000000, 0.0016369000000000, 0.0005335900000000 ] - [ 0.0001470600000000, -0.0011495900000000, 0.0001057400000000 ] - [ -0.0010667300000000, -0.0015005500000000, -0.0008184700000000 ] - [ 0.0011565400000000, 0.0025819800000000, -0.0010592300000000 ] - [ -0.0071310700000000, -0.0077541700000000, -0.0020750600000000 ] - [ 0.0000235300000000, -0.0015091700000000, 0.0002857500000000 ] - [ -0.0006256600000000, -0.0043083900000000, -0.0004550400000000 ] - [ 0.0011464200000000, -0.0046568800000000, 0.0009565400000000 ] - [ -0.0005044000000000, -0.0016437600000000, -0.0001686700000000 ] - [ 0.0000577000000000, 0.0018669700000000, -0.0005089100000000 ] - [ -0.0001418700000000, -0.0021546000000000, 0.0001201700000000 ] - [ 0.0003006800000000, -0.0023218200000000, 0.0006020500000000 ] - [ -0.0058356500000000, 0.0020951900000000, 0.0020749200000000 ] - [ 0.0001399500000000, -0.0018160200000000, -0.0001470500000000 ] - [ 0.0000547000000000, -0.0009900700000000, 0.0005224200000000 ] - [ -0.0008827000000000, -0.0013011500000000, 0.0005811100000000 ] - [ -0.0000944500000000, -0.0006411100000000, 0.0002975700000000 ] - [ 0.0004497500000000, 0.0043354800000000, -0.0011885300000000 ] - [ 0.0010620600000000, -0.0027911900000000, 0.0001619400000000 ] - [ 0.0017890000000000, -0.0008561600000000, -0.0005842500000000 ] - [ 0.0009173500000000, -0.0014745700000000, 0.0001280200000000 ] - [ -0.0036884900000000, -0.0034588700000000, 0.0078059100000000 ] - [ 0.0001155200000000, -0.0007793700000000, -0.0002538900000000 ] - [ 0.0009094200000000, 0.0026370600000000, 0.0013202800000000 ] - [ 0.0007135600000000, -0.0013879800000000, -0.0006426400000000 ] - [ 0.0009610600000000, 0.0025202000000000, -0.0001832900000000 ] - [ -0.0017408800000000, 0.0000812000000000, -0.0016699200000000 ] - [ -0.0129498600000000, 0.0175002100000000, -0.0024884300000000 ] - [ -0.0006075500000000, 0.0026091000000000, 0.0008097700000000 ] - [ -0.0002118500000000, 0.0024101200000000, -0.0004674700000000 ] - [ 0.0012268100000000, 0.0013046200000000, -0.0038382200000000 ] - [ -0.0005774400000000, -0.0016191300000000, -0.0000107200000000 ] - [ -0.0003448000000000, -0.0010549900000000, 0.0001394500000000 ] - [ 0.0001859700000000, -0.0013554200000000, -0.0003902100000000 ] - [ -0.0000284000000000, -0.0021942700000000, -0.0010352200000000 ] - [ 0.0002829300000000, 0.0002161500000000, -0.0013560000000000 ] - [ 0.0002427200000000, -0.0015925200000000, -0.0005210900000000 ] - [ 0.0001350600000000, -0.0011026200000000, -0.0001208500000000 ] - [ 0.0204770000000000, 0.0274015000000000, -0.0141966100000000 ] - [ 0.0033025500000000, 0.0045379400000000, -0.0001211100000000 ] - [ 0.0000326200000000, -0.0012532400000000, 0.0008871600000000 ] - [ -0.0070979200000000, -0.0020048700000000, -0.0042158700000000 ] - [ 0.0029028900000000, -0.0003112100000000, 0.0014131600000000 ] - [ 0.0002845500000000, 0.0021319100000000, 0.0001293100000000 ] - [ -0.0000660800000000, -0.0011147300000000, 0.0000320100000000 ] - [ -0.0000379100000000, -0.0013087500000000, 0.0004914000000000 ] - [ -0.0005188200000000, 0.0001609400000000, -0.0007751000000000 ] - [ 0.0003439600000000, -0.0013502600000000, -0.0024993700000000 ] - [ 0.0007170600000000, -0.0013665600000000, -0.0005597600000000 ] - [ 0.0002830200000000, -0.0019555300000000, 0.0007736000000000 ] - [ 0.0000674800000000, -0.0010997200000000, 0.0001547700000000 ] - [ 0.0002814800000000, -0.0023979800000000, 0.0000386900000000 ] - [ 0.0004644000000000, -0.0004772500000000, 0.0000356600000000 ] - [ -0.0003859400000000, 0.0019443000000000, -0.0005816100000000 ] - [ 0.0020417500000000, 0.0143492800000000, 0.0014806200000000 ] - [ -0.0066242500000000, 0.0130162900000000, -0.0084125600000000 ] - [ 0.0005635500000000, 0.0009855200000000, -0.0010008600000000 ] - [ -0.0004153500000000, -0.0011614700000000, -0.0001296500000000 ] - [ -0.0002944900000000, 0.0025530700000000, 0.0001056900000000 ] - [ -0.0002058300000000, -0.0014118600000000, -0.0001289600000000 ]- atom: 27 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005086900000000, -0.0011427400000000, -0.0006272200000000 ] - [ -0.0002660100000000, -0.0018418600000000, -0.0005239900000000 ] - [ 0.0025885100000000, 0.0044536800000000, -0.0015428200000000 ] - [ -0.0003686600000000, -0.0008190200000000, 0.0009075000000000 ] - [ -0.0000624000000000, -0.0009620000000000, 0.0001829300000000 ] - [ -0.0044421500000000, -0.0032429200000000, -0.0006024300000000 ] - [ -0.0001245600000000, -0.0005589300000000, -0.0001830400000000 ] - [ 0.0006040300000000, 0.0050889300000000, -0.0015816300000000 ] - [ -0.0000798400000000, -0.0000173000000000, -0.0008038300000000 ] - [ 0.0003075900000000, -0.0003367300000000, 0.0005767100000000 ] - [ -0.0003410700000000, -0.0000594300000000, -0.0005046000000000 ] - [ 0.0007303400000000, -0.0019390900000000, 0.0005327000000000 ] - [ 0.0004062700000000, -0.0012449200000000, 0.0002179200000000 ] - [ -0.0008241600000000, -0.0019492500000000, 0.0005658500000000 ] - [ 0.0001343500000000, -0.0007218800000000, -0.0002622300000000 ] - [ -0.0003919100000000, -0.0007661300000000, 0.0000703300000000 ] - [ -0.0008062300000000, -0.0008779700000000, 0.0012730700000000 ] - [ -0.0004443000000000, 0.0009629000000000, -0.0002045000000000 ] - [ -0.0004032000000000, -0.0008950800000000, -0.0001149100000000 ] - [ 0.0001666100000000, 0.0006366300000000, 0.0000047100000000 ] - [ 0.0002469200000000, -0.0011580700000000, 0.0000293200000000 ] - [ 0.0030269900000000, -0.0018847500000000, -0.0005425100000000 ] - [ -0.0004872000000000, 0.0026994500000000, -0.0005101500000000 ] - [ 0.0010231500000000, -0.0031665900000000, 0.0065027500000000 ] - [ -0.0009228900000000, -0.0081654700000000, -0.0010571300000000 ] - [ -0.0000235000000000, -0.0030124100000000, -0.0005155000000000 ] - [ 0.0003728700000000, 0.1673809000000000, -0.0129055600000000 ] - [ 0.0001030500000000, -0.0006077000000000, 0.0005552400000000 ] - [ 0.0004344200000000, -0.0019101800000000, -0.0008300700000000 ] - [ -0.0071603500000000, 0.0074564900000000, -0.0085408000000000 ] - [ 0.0009310300000000, -0.0042834400000000, 0.0010598000000000 ] - [ -0.0014963100000000, -0.0038928600000000, 0.0004976200000000 ] - [ 0.0000514700000000, -0.0020275800000000, 0.0002818700000000 ] - [ -0.0006415800000000, -0.0020860300000000, -0.0006697800000000 ] - [ 0.0002436500000000, -0.0021806300000000, 0.0010540000000000 ] - [ -0.0000566900000000, -0.0020724900000000, -0.0001345800000000 ] - [ 0.0002686300000000, 0.0042622500000000, 0.0001515600000000 ] - [ 0.0002530000000000, -0.0033957100000000, -0.0003486100000000 ] - [ 0.0095211800000000, -0.0222800700000000, 0.0283485900000000 ] - [ 0.0000048200000000, -0.0048629400000000, -0.0000869600000000 ] - [ 0.0165754900000000, 0.0001143600000000, -0.0091374600000000 ] - [ -0.0002568000000000, 0.0017628000000000, 0.0052258900000000 ] - [ -0.0001968500000000, -0.0003334800000000, -0.0074352500000000 ] - [ -0.0002220900000000, -0.0029452500000000, 0.0003742800000000 ] - [ -0.0006817300000000, 0.0055020800000000, 0.0010588100000000 ] - [ -0.0088799000000000, 0.0124484200000000, -0.0015562500000000 ] - [ -0.0000475300000000, 0.0019451900000000, 0.0019048900000000 ] - [ -0.0002666100000000, 0.0017160700000000, 0.0003213500000000 ] - [ -0.0001683200000000, -0.0015792900000000, 0.0001162800000000 ] - [ -0.0000625100000000, -0.0026839700000000, 0.0000672100000000 ] - [ -0.0174218500000000, -0.0114078200000000, 0.0059679800000000 ] - [ -0.0007018700000000, 0.0014711500000000, 0.0042461100000000 ] - [ -0.0170876200000000, 0.0141310800000000, 0.0077659500000000 ] - [ 0.0005718000000000, -0.0024191600000000, 0.0008570400000000 ] - [ -0.0006568600000000, -0.0012222500000000, -0.0001703900000000 ] - [ 0.0015325800000000, -0.0021054300000000, -0.0003744500000000 ] - [ 0.0007513400000000, 0.0003248500000000, -0.0005107200000000 ] - [ 0.0002474200000000, -0.0021365900000000, 0.0003505700000000 ] - [ 0.0058160300000000, 0.0027583400000000, 0.0016738600000000 ] - [ 0.0003552700000000, 0.0006573800000000, -0.0003062400000000 ] - [ -0.0021401800000000, 0.0013442400000000, -0.0012284300000000 ] - [ -0.0006357800000000, -0.0008930800000000, 0.0003900700000000 ] - [ 0.0001463600000000, -0.0008499500000000, 0.0001432300000000 ] - [ 0.0006725100000000, 0.0041650400000000, 0.0004111100000000 ] - [ -0.0009332300000000, -0.0009244600000000, 0.0004809200000000 ] - [ 0.0072428800000000, -0.0031740600000000, 0.0070165900000000 ] - [ -0.0013567600000000, -0.0170893800000000, -0.0306994200000000 ] - [ 0.0017939700000000, 0.0034387000000000, -0.0024447000000000 ] - [ 0.0005272900000000, -0.0013526100000000, -0.0011362900000000 ] - [ -0.0003744300000000, -0.0009548000000000, -0.0002508400000000 ] - [ 0.0002055300000000, 0.0007303600000000, -0.0008101700000000 ] - [ 0.0002957400000000, -0.0016623000000000, 0.0001621200000000 ] - [ 0.0005865300000000, 0.0004242700000000, 0.0002245000000000 ] - [ 0.0007447500000000, -0.0006837500000000, 0.0004338000000000 ] - [ 0.0010317100000000, -0.0011558400000000, -0.0020070800000000 ] - [ -0.0007833000000000, -0.0018751800000000, 0.0007564300000000 ] - [ 0.0000375800000000, -0.0018612000000000, -0.0000990900000000 ] - [ 0.0000027100000000, -0.0050912200000000, 0.0001360300000000 ] - [ -0.0003028900000000, 0.0027655400000000, 0.0003502200000000 ] - [ -0.0048604300000000, -0.0273683700000000, -0.0056650000000000 ] - [ 0.0000900500000000, 0.0015554700000000, -0.0002454900000000 ] - [ 0.0000997000000000, -0.0008358500000000, -0.0065889500000000 ] - [ 0.0000508700000000, 0.0010506200000000, 0.0002760300000000 ] - [ 0.0002994400000000, 0.0018562100000000, -0.0005208800000000 ] - [ -0.0008315900000000, -0.0215910200000000, -0.0095863000000000 ] - [ 0.0003039000000000, 0.0006161400000000, 0.0007194500000000 ] - [ -0.0006068400000000, 0.0011610000000000, 0.0000878400000000 ] - [ -0.0011553600000000, 0.0020248700000000, -0.0003797800000000 ] - [ -0.0003725800000000, 0.0006465900000000, 0.0002965100000000 ] - [ 0.0009489800000000, 0.0002676800000000, 0.0001117800000000 ] - [ -0.0000936500000000, -0.0010645800000000, -0.0006809200000000 ] - [ 0.0007765300000000, 0.0055644400000000, -0.0009700400000000 ] - [ 0.0001711100000000, 0.0011894300000000, -0.0000711000000000 ] - [ -0.0008473600000000, -0.0014062300000000, -0.0047242100000000 ] - [ 0.0013637900000000, -0.0139850400000000, -0.0003803500000000 ] - [ -0.0040703100000000, -0.0032710900000000, -0.0023655200000000 ] - [ -0.0030672200000000, 0.0110063300000000, 0.0021579300000000 ] - [ -0.0000370000000000, 0.0024958100000000, -0.0004405200000000 ] - [ -0.0004614500000000, -0.0006476400000000, 0.0009364500000000 ] - [ 0.0056707900000000, -0.0125399500000000, -0.0021740800000000 ] - [ 0.0005622100000000, -0.0006214900000000, 0.0001196400000000 ] - [ 0.0048326400000000, -0.0179541700000000, 0.0014249400000000 ] - [ 0.0004947300000000, 0.0011471300000000, 0.0008077600000000 ] - [ 0.0008909200000000, 0.0020178100000000, 0.0004183000000000 ] - [ -0.0005025800000000, 0.0000711000000000, -0.0009149400000000 ] - [ 0.0014916700000000, -0.0021831900000000, 0.0002863900000000 ] - [ -0.0006346100000000, -0.0005520700000000, 0.0009763600000000 ] - [ -0.0000314800000000, -0.0001112600000000, -0.0020268900000000 ] - [ 0.0014463800000000, -0.0020536500000000, -0.0015007800000000 ] - [ -0.0012156400000000, 0.0075181200000000, 0.0121072900000000 ] - [ 0.0002140400000000, 0.0012122400000000, -0.0007537100000000 ] - [ -0.0001403600000000, 0.0018606100000000, 0.0001388300000000 ] - [ 0.0003112900000000, 0.0009149100000000, -0.0005719700000000 ] - [ 0.0000257300000000, 0.0014036300000000, 0.0000387900000000 ] - [ 0.0013236900000000, -0.0017744100000000, 0.0028540500000000 ] - [ 0.0008912000000000, 0.0017591900000000, -0.0002701700000000 ] - [ -0.0001188600000000, -0.0015576800000000, -0.0003306000000000 ] - [ 0.0001716700000000, 0.0012578300000000, 0.0002284400000000 ] - [ 0.0007757100000000, 0.0007366400000000, 0.0005760400000000 ] - [ -0.0008329500000000, -0.0026786900000000, 0.0013977100000000 ] - [ 0.0065859900000000, 0.0085039100000000, 0.0020004000000000 ] - [ -0.0003122900000000, 0.0012875800000000, 0.0000487200000000 ] - [ 0.0003099700000000, 0.0042217400000000, 0.0001226400000000 ] - [ -0.0009513500000000, 0.0050039100000000, -0.0008361200000000 ] - [ 0.0001010200000000, 0.0007689100000000, 0.0001176900000000 ] - [ -0.0003065900000000, -0.0020029800000000, 0.0002058200000000 ] - [ 0.0000640500000000, 0.0020790300000000, -0.0007843800000000 ] - [ -0.0005485500000000, 0.0024572500000000, -0.0008890400000000 ] - [ 0.0067977600000000, -0.0019479900000000, -0.0019550900000000 ] - [ 0.0007966000000000, 0.0023846400000000, 0.0000187200000000 ] - [ -0.0005244700000000, 0.0009199000000000, -0.0007197100000000 ] - [ 0.0006222300000000, 0.0011910400000000, -0.0003764700000000 ] - [ -0.0001054100000000, 0.0003233100000000, -0.0004211200000000 ] - [ -0.0002946900000000, -0.0031552500000000, 0.0008446500000000 ] - [ -0.0020093500000000, 0.0029413300000000, -0.0002884900000000 ] - [ -0.0015303800000000, 0.0019295400000000, 0.0002352300000000 ] - [ 0.0000351200000000, 0.0013218000000000, -0.0000009400000000 ] - [ 0.0040898000000000, 0.0034237000000000, -0.0082279600000000 ] - [ 0.0001089600000000, 0.0018869600000000, -0.0001127900000000 ] - [ -0.0018575600000000, -0.0027870500000000, -0.0014533900000000 ] - [ -0.0009660300000000, 0.0003123200000000, 0.0009957200000000 ] - [ -0.0015050100000000, -0.0026002100000000, -0.0000250400000000 ] - [ 0.0016593100000000, -0.0000295200000000, 0.0009925900000000 ] - [ 0.0121577200000000, -0.0173748600000000, 0.0028324000000000 ] - [ 0.0003798700000000, -0.0015041400000000, -0.0004481000000000 ] - [ 0.0006507300000000, -0.0023523100000000, 0.0002311200000000 ] - [ -0.0014570600000000, -0.0014495800000000, 0.0042613600000000 ] - [ -0.0003624300000000, 0.0010532100000000, 0.0001382800000000 ] - [ -0.0001771100000000, 0.0002749700000000, -0.0002023500000000 ] - [ 0.0000631800000000, 0.0012195900000000, 0.0006873800000000 ] - [ 0.0002630400000000, 0.0020504800000000, 0.0006065400000000 ] - [ -0.0000503900000000, -0.0000691900000000, 0.0009216800000000 ] - [ 0.0002369500000000, 0.0010912300000000, -0.0003159800000000 ] - [ 0.0002721100000000, 0.0019800600000000, 0.0001712600000000 ] - [ -0.0200752600000000, -0.0271461700000000, 0.0138199100000000 ] - [ -0.0035661900000000, -0.0043261100000000, 0.0004611500000000 ] - [ 0.0002579400000000, 0.0005066500000000, -0.0006443700000000 ] - [ 0.0075927800000000, 0.0019634300000000, 0.0044454900000000 ] - [ -0.0025770900000000, -0.0001687700000000, -0.0019619700000000 ] - [ 0.0000016700000000, -0.0023600200000000, -0.0004683500000000 ] - [ 0.0002003500000000, 0.0011000600000000, -0.0008835700000000 ] - [ -0.0001122300000000, 0.0025006900000000, -0.0001551400000000 ] - [ 0.0003181200000000, 0.0001754800000000, 0.0006561200000000 ] - [ 0.0000385500000000, 0.0014249900000000, 0.0021088100000000 ] - [ -0.0011748800000000, 0.0014517100000000, 0.0008014600000000 ] - [ -0.0005165900000000, 0.0021060400000000, -0.0003323200000000 ] - [ -0.0002027400000000, 0.0011173200000000, 0.0007033000000000 ] - [ 0.0000054000000000, 0.0026215500000000, -0.0003735500000000 ] - [ -0.0002636900000000, 0.0001451800000000, 0.0000840700000000 ] - [ 0.0013156300000000, -0.0025144300000000, 0.0004447200000000 ] - [ -0.0029779800000000, -0.0138492200000000, -0.0013745700000000 ] - [ 0.0071926100000000, -0.0135448200000000, 0.0077065200000000 ] - [ -0.0008800900000000, -0.0008922100000000, 0.0006667200000000 ] - [ -0.0001625000000000, 0.0011331900000000, -0.0004637700000000 ] - [ 0.0007049400000000, -0.0034238500000000, -0.0000672400000000 ] - [ 0.0007737500000000, 0.0016106700000000, -0.0003350800000000 ]- atom: 27 displacement: [ -0.0035230240541542, 0.0000000000000000, 0.0093588621911988 ] forces: - [ -0.0001416800000000, 0.0006083800000000, 0.0006803700000000 ] - [ 0.0000628900000000, 0.0013537800000000, -0.0001846500000000 ] - [ -0.0060745400000000, 0.0035920600000000, 0.0064089100000000 ] - [ -0.0011725800000000, -0.0011099400000000, -0.0000312600000000 ] - [ -0.0000201300000000, -0.0005926600000000, 0.0004288300000000 ] - [ -0.0000021300000000, -0.0013121000000000, -0.0033804700000000 ] - [ -0.0000728200000000, 0.0002284300000000, 0.0003973400000000 ] - [ 0.0013384000000000, 0.0010294600000000, 0.0100621500000000 ] - [ 0.0000859600000000, 0.0003335500000000, 0.0012836700000000 ] - [ 0.0001662100000000, -0.0003586800000000, 0.0006391800000000 ] - [ 0.0002989100000000, 0.0006522000000000, 0.0006591700000000 ] - [ -0.0003014800000000, 0.0001543100000000, -0.0009018400000000 ] - [ 0.0004409900000000, -0.0003084200000000, -0.0000183300000000 ] - [ 0.0001438900000000, -0.0016985700000000, -0.0012573000000000 ] - [ -0.0001866800000000, 0.0002562100000000, -0.0002725600000000 ] - [ -0.0002884900000000, 0.0000085400000000, 0.0003605100000000 ] - [ -0.0005604000000000, -0.0019006100000000, 0.0015635100000000 ] - [ -0.0000840000000000, -0.0001526700000000, 0.0013691000000000 ] - [ -0.0004845900000000, 0.0001598200000000, -0.0004222700000000 ] - [ 0.0000738200000000, 0.0001357700000000, 0.0012774400000000 ] - [ 0.0003184600000000, 0.0000761400000000, 0.0000916200000000 ] - [ -0.0013836800000000, 0.0016441400000000, -0.0012898800000000 ] - [ -0.0020725400000000, 0.0008326200000000, -0.0021330100000000 ] - [ 0.0023426400000000, -0.0059151100000000, 0.0036422800000000 ] - [ 0.0017967200000000, 0.0034180000000000, 0.0002987500000000 ] - [ -0.0003111600000000, 0.0006435500000000, -0.0007278200000000 ] - [ 0.0614567300000000, 0.0117323100000000, -0.1330006100000000 ] - [ -0.0024893300000000, -0.0033048700000000, -0.0025654000000000 ] - [ -0.0004138600000000, 0.0011157800000000, 0.0004169300000000 ] - [ 0.0059529800000000, 0.0033627100000000, -0.0091771500000000 ] - [ 0.0000505300000000, -0.0002025400000000, -0.0001962500000000 ] - [ -0.0001724600000000, -0.0009133900000000, -0.0005039600000000 ] - [ -0.0003871200000000, 0.0003718500000000, 0.0014337700000000 ] - [ 0.0001461800000000, 0.0011844000000000, 0.0001486500000000 ] - [ 0.0002742200000000, -0.0015506600000000, 0.0008494700000000 ] - [ -0.0001422300000000, -0.0009262200000000, 0.0002434800000000 ] - [ -0.0012237300000000, 0.0004322800000000, 0.0058315900000000 ] - [ 0.0000699900000000, -0.0005426800000000, 0.0002419700000000 ] - [ 0.0117770500000000, -0.0196902000000000, -0.0058468100000000 ] - [ 0.0003280000000000, 0.0000661100000000, -0.0012262800000000 ] - [ -0.0125049900000000, 0.0104041800000000, 0.0007502900000000 ] - [ -0.0015236800000000, -0.0011514900000000, 0.0084168000000000 ] - [ 0.0001231500000000, 0.0026711900000000, 0.0068462100000000 ] - [ -0.0001714100000000, -0.0000483300000000, -0.0003814400000000 ] - [ -0.0045300200000000, 0.0007449900000000, 0.0042478900000000 ] - [ 0.0142050100000000, -0.0015091300000000, 0.0039382500000000 ] - [ 0.0010547600000000, -0.0011760200000000, 0.0024832400000000 ] - [ -0.0006114200000000, 0.0006998100000000, 0.0035742000000000 ] - [ -0.0005420600000000, -0.0015258900000000, 0.0002453300000000 ] - [ 0.0001415000000000, 0.0006682200000000, 0.0000395100000000 ] - [ -0.0267327700000000, -0.0171989200000000, 0.0046060900000000 ] - [ 0.0005858100000000, 0.0001514500000000, 0.0043467100000000 ] - [ -0.0230233600000000, -0.0001543300000000, 0.0076557100000000 ] - [ -0.0006269000000000, 0.0007872700000000, 0.0000070800000000 ] - [ 0.0013518900000000, 0.0020474500000000, 0.0002873900000000 ] - [ 0.0002436000000000, -0.0013731800000000, -0.0020985600000000 ] - [ -0.0008309100000000, 0.0013531700000000, 0.0002915100000000 ] - [ 0.0001175600000000, -0.0003261300000000, 0.0000169800000000 ] - [ 0.0076350300000000, -0.0044757700000000, -0.0004293600000000 ] - [ -0.0012958300000000, 0.0006247500000000, -0.0002563500000000 ] - [ 0.0006781800000000, 0.0001731900000000, 0.0031671700000000 ] - [ 0.0002020200000000, 0.0003696600000000, -0.0006371500000000 ] - [ 0.0003805100000000, -0.0006365100000000, 0.0000319900000000 ] - [ -0.0002851400000000, 0.0003306300000000, 0.0030275300000000 ] - [ -0.0005612400000000, -0.0002115600000000, -0.0011908800000000 ] - [ 0.0006074900000000, -0.0034439100000000, -0.0025870900000000 ] - [ -0.0083517000000000, 0.0244546200000000, 0.0019508600000000 ] - [ 0.0005597500000000, -0.0009668700000000, 0.0037327800000000 ] - [ -0.0001009100000000, 0.0001247400000000, -0.0005182900000000 ] - [ 0.0001823100000000, -0.0000408800000000, 0.0007701300000000 ] - [ 0.0000762000000000, 0.0013308300000000, -0.0026840000000000 ] - [ -0.0001682400000000, -0.0005553100000000, 0.0000887100000000 ] - [ -0.0004488800000000, -0.0019791600000000, 0.0027856200000000 ] - [ -0.0001718400000000, 0.0001555200000000, 0.0011114800000000 ] - [ 0.0001552700000000, 0.0004223100000000, 0.0011614100000000 ] - [ -0.0001331500000000, -0.0005288000000000, 0.0010467500000000 ] - [ -0.0000332900000000, -0.0000329900000000, -0.0000466000000000 ] - [ 0.0010977400000000, -0.0010990700000000, -0.0004481200000000 ] - [ -0.0004163300000000, -0.0005905900000000, 0.0002918000000000 ] - [ 0.0072198600000000, 0.0192112500000000, 0.0015588400000000 ] - [ 0.0005543000000000, 0.0012087400000000, 0.0000643000000000 ] - [ -0.0009477900000000, 0.0016381200000000, -0.0028576400000000 ] - [ -0.0003645300000000, -0.0000650700000000, -0.0002461200000000 ] - [ 0.0001564000000000, 0.0016787800000000, 0.0000528000000000 ] - [ -0.0032202600000000, 0.0089400300000000, 0.0187629700000000 ] - [ 0.0001155400000000, -0.0000030900000000, -0.0010459900000000 ] - [ 0.0003502900000000, -0.0001486300000000, -0.0004943000000000 ] - [ -0.0004139700000000, 0.0003241800000000, 0.0005851400000000 ] - [ -0.0002123600000000, -0.0001405200000000, -0.0007196200000000 ] - [ -0.0006466100000000, -0.0013314600000000, -0.0001870100000000 ] - [ 0.0002737400000000, 0.0011600400000000, -0.0017131600000000 ] - [ -0.0006843100000000, 0.0030562200000000, 0.0011553500000000 ] - [ 0.0001535400000000, 0.0008517200000000, 0.0007664000000000 ] - [ 0.0007135000000000, 0.0008672400000000, 0.0024320000000000 ] - [ 0.0086020500000000, -0.0043604800000000, -0.0044882100000000 ] - [ -0.0024898400000000, 0.0033491900000000, 0.0011251000000000 ] - [ 0.0008514300000000, -0.0084959900000000, -0.0011038400000000 ] - [ 0.0001339600000000, -0.0007394700000000, 0.0002184400000000 ] - [ 0.0000599200000000, -0.0004625400000000, 0.0039559200000000 ] - [ -0.0026720600000000, -0.0010925700000000, 0.0089063800000000 ] - [ -0.0000570500000000, -0.0001576500000000, -0.0039203900000000 ] - [ -0.0019546500000000, -0.0038790600000000, 0.0185924100000000 ] - [ 0.0002101100000000, -0.0001330400000000, -0.0003725700000000 ] - [ -0.0006973100000000, -0.0010551800000000, 0.0004015200000000 ] - [ -0.0005609800000000, 0.0005290300000000, -0.0008820600000000 ] - [ 0.0003637400000000, -0.0005728700000000, -0.0012810300000000 ] - [ 0.0012631400000000, -0.0011187200000000, 0.0003105600000000 ] - [ -0.0004608700000000, 0.0003493000000000, -0.0029995800000000 ] - [ 0.0008880500000000, 0.0000182600000000, -0.0029495300000000 ] - [ 0.0030391200000000, -0.0068390100000000, -0.0029937700000000 ] - [ -0.0001401700000000, 0.0004562200000000, -0.0002607500000000 ] - [ 0.0002201300000000, -0.0001455800000000, 0.0006313400000000 ] - [ 0.0000794800000000, 0.0004979700000000, -0.0011821100000000 ] - [ 0.0000343300000000, 0.0011218600000000, -0.0000341800000000 ] - [ -0.0027762000000000, -0.0011366500000000, -0.0013318800000000 ] - [ -0.0001309200000000, -0.0001855700000000, 0.0005296400000000 ] - [ 0.0005923400000000, 0.0004893100000000, -0.0023028700000000 ] - [ 0.0000788900000000, 0.0008271500000000, 0.0001569500000000 ] - [ -0.0006983800000000, -0.0018238300000000, -0.0007044600000000 ] - [ 0.0027158900000000, -0.0013974200000000, 0.0010263600000000 ] - [ -0.0074438800000000, -0.0048771300000000, 0.0017041200000000 ] - [ -0.0001162100000000, -0.0001629600000000, 0.0000864600000000 ] - [ -0.0003875700000000, 0.0008652400000000, -0.0000060300000000 ] - [ -0.0007088300000000, 0.0012966000000000, 0.0014266900000000 ] - [ -0.0000902400000000, -0.0006082900000000, -0.0003397400000000 ] - [ -0.0003138600000000, -0.0001817300000000, -0.0043715600000000 ] - [ -0.0000045300000000, 0.0006480300000000, -0.0004324200000000 ] - [ -0.0001823700000000, -0.0000548900000000, 0.0015376900000000 ] - [ 0.0107713000000000, 0.0035929700000000, -0.0004917800000000 ] - [ 0.0003306800000000, 0.0000374800000000, -0.0000277600000000 ] - [ -0.0003852800000000, 0.0000917200000000, -0.0005142300000000 ] - [ 0.0000540900000000, 0.0000551500000000, 0.0004362700000000 ] - [ -0.0003036600000000, 0.0004885400000000, -0.0002602500000000 ] - [ 0.0005972400000000, -0.0001007100000000, -0.0029556300000000 ] - [ -0.0000547800000000, -0.0008633400000000, 0.0001832100000000 ] - [ 0.0017861200000000, -0.0012561800000000, 0.0000447000000000 ] - [ 0.0004489300000000, -0.0002690400000000, -0.0000748600000000 ] - [ 0.0064277700000000, 0.0058658400000000, -0.0096595700000000 ] - [ 0.0000857500000000, 0.0003884200000000, -0.0003154300000000 ] - [ -0.0000069300000000, -0.0000294300000000, -0.0032943900000000 ] - [ 0.0004330600000000, -0.0015182500000000, -0.0004829300000000 ] - [ -0.0003063600000000, -0.0000977800000000, -0.0029807000000000 ] - [ -0.0016246800000000, -0.0021836600000000, -0.0025625300000000 ] - [ -0.0043988300000000, 0.0017474200000000, 0.0108088300000000 ] - [ 0.0007325400000000, 0.0008213700000000, -0.0007260300000000 ] - [ -0.0018385700000000, -0.0013741700000000, 0.0021033600000000 ] - [ 0.0007566200000000, -0.0003348200000000, -0.0035808500000000 ] - [ -0.0005344400000000, -0.0003385100000000, -0.0001451300000000 ] - [ 0.0002512400000000, 0.0005665300000000, -0.0007404100000000 ] - [ 0.0002154000000000, -0.0001411900000000, 0.0006286900000000 ] - [ 0.0000848700000000, 0.0002336100000000, 0.0007399600000000 ] - [ 0.0003015300000000, 0.0007205900000000, -0.0032260100000000 ] - [ 0.0003051200000000, -0.0004565900000000, 0.0003219300000000 ] - [ 0.0004141200000000, 0.0001511000000000, 0.0000307000000000 ] - [ -0.0319301200000000, -0.0195377200000000, 0.0294617300000000 ] - [ -0.0044443600000000, -0.0006653100000000, 0.0008876000000000 ] - [ 0.0001250400000000, 0.0011424600000000, -0.0009836500000000 ] - [ 0.0115273900000000, 0.0048254000000000, 0.0105185300000000 ] - [ 0.0011568600000000, 0.0019989900000000, 0.0040538000000000 ] - [ 0.0009886800000000, -0.0003809200000000, -0.0021884800000000 ] - [ 0.0002724900000000, 0.0000885600000000, 0.0007614100000000 ] - [ -0.0001011000000000, 0.0008471000000000, 0.0002170400000000 ] - [ 0.0004726900000000, -0.0007446400000000, 0.0006098100000000 ] - [ 0.0001413100000000, -0.0006989400000000, -0.0016806700000000 ] - [ 0.0000998500000000, -0.0002904200000000, -0.0005661900000000 ] - [ -0.0004147100000000, 0.0017858500000000, 0.0011071800000000 ] - [ 0.0000896100000000, -0.0004780000000000, 0.0009581000000000 ] - [ 0.0000930500000000, -0.0002363700000000, 0.0000325500000000 ] - [ 0.0007172500000000, -0.0007577600000000, -0.0003968400000000 ] - [ -0.0001887500000000, -0.0002667500000000, -0.0012636400000000 ] - [ -0.0044486000000000, 0.0002306900000000, 0.0122263500000000 ] - [ -0.0040185800000000, -0.0022276100000000, 0.0119901700000000 ] - [ 0.0006973000000000, -0.0007271800000000, -0.0020266500000000 ] - [ -0.0002874600000000, -0.0000494800000000, -0.0012148900000000 ] - [ -0.0011330700000000, 0.0005004500000000, -0.0026921600000000 ] - [ 0.0002757200000000, 0.0002272200000000, -0.0006712000000000 ]- atom: 27 displacement: [ 0.0035230240541542, 0.0000000000000000, -0.0093588621911988 ] forces: - [ 0.0003307100000000, -0.0008184300000000, -0.0004967400000000 ] - [ -0.0001907700000000, -0.0009108300000000, 0.0001315100000000 ] - [ 0.0067593600000000, -0.0036366100000000, -0.0066104500000000 ] - [ 0.0012732500000000, 0.0004431300000000, 0.0003120500000000 ] - [ -0.0000723100000000, -0.0000725600000000, -0.0007079300000000 ] - [ -0.0001770100000000, 0.0011080800000000, 0.0031882900000000 ] - [ -0.0001170300000000, -0.0000161600000000, -0.0005811800000000 ] - [ -0.0004532500000000, -0.0006823400000000, -0.0097380200000000 ] - [ -0.0000257600000000, -0.0004331700000000, -0.0013937300000000 ] - [ -0.0002244300000000, 0.0004614600000000, -0.0005279400000000 ] - [ -0.0002064100000000, 0.0000135200000000, -0.0003797900000000 ] - [ 0.0004289100000000, -0.0005983600000000, 0.0009556100000000 ] - [ 0.0004262600000000, -0.0000259400000000, 0.0002363600000000 ] - [ -0.0000850800000000, 0.0018023200000000, 0.0011438500000000 ] - [ 0.0001278400000000, -0.0003592500000000, 0.0003865800000000 ] - [ -0.0003266200000000, -0.0000180500000000, -0.0002129000000000 ] - [ 0.0004309800000000, 0.0014532600000000, -0.0016178400000000 ] - [ -0.0007838900000000, -0.0001845400000000, -0.0015838700000000 ] - [ -0.0003826300000000, 0.0001760500000000, 0.0002040900000000 ] - [ 0.0000520400000000, 0.0003061300000000, -0.0012210900000000 ] - [ 0.0002969000000000, -0.0000652500000000, -0.0002395900000000 ] - [ 0.0012813700000000, -0.0009763500000000, 0.0010143000000000 ] - [ 0.0014685400000000, -0.0008210600000000, 0.0022692900000000 ] - [ -0.0021660600000000, 0.0061603900000000, -0.0034590400000000 ] - [ -0.0012720100000000, -0.0037309300000000, 0.0006192900000000 ] - [ 0.0003806700000000, -0.0011145200000000, 0.0010121800000000 ] - [ -0.0634131200000000, -0.0136000200000000, 0.1343547200000000 ] - [ 0.0019438700000000, 0.0029789300000000, 0.0016345600000000 ] - [ 0.0003437200000000, -0.0006428500000000, -0.0007011800000000 ] - [ -0.0057768600000000, -0.0030735900000000, 0.0082770700000000 ] - [ -0.0002385300000000, 0.0005198100000000, 0.0010650400000000 ] - [ 0.0002920500000000, 0.0012896300000000, 0.0005881100000000 ] - [ 0.0000145400000000, 0.0006563700000000, -0.0007689700000000 ] - [ -0.0006699800000000, -0.0008623200000000, -0.0010657700000000 ] - [ -0.0003940000000000, 0.0011791800000000, -0.0009357300000000 ] - [ 0.0003295800000000, 0.0006134600000000, -0.0011114500000000 ] - [ 0.0016213300000000, -0.0002564700000000, -0.0059118800000000 ] - [ 0.0003011100000000, -0.0004808400000000, -0.0009070100000000 ] - [ -0.0117721800000000, 0.0191764100000000, 0.0054328500000000 ] - [ 0.0000705800000000, -0.0002455800000000, 0.0011390700000000 ] - [ 0.0123373800000000, -0.0099481000000000, -0.0008888200000000 ] - [ 0.0020587300000000, 0.0014800800000000, -0.0074923600000000 ] - [ -0.0000157200000000, -0.0030524700000000, -0.0067384600000000 ] - [ -0.0002281600000000, 0.0002333100000000, 0.0004693500000000 ] - [ 0.0040862400000000, -0.0009314200000000, -0.0041547900000000 ] - [ -0.0138749000000000, 0.0025627700000000, -0.0045436300000000 ] - [ -0.0009919300000000, 0.0016467300000000, -0.0021592600000000 ] - [ 0.0004326100000000, -0.0010168100000000, -0.0026931500000000 ] - [ 0.0002271100000000, 0.0010533800000000, -0.0002991100000000 ] - [ -0.0000706000000000, -0.0002700900000000, 0.0001290100000000 ] - [ 0.0272817300000000, 0.0173537500000000, -0.0053018600000000 ] - [ -0.0002843100000000, -0.0002905900000000, -0.0038003300000000 ] - [ 0.0232920300000000, 0.0006967400000000, -0.0078515500000000 ] - [ 0.0002069200000000, -0.0001237500000000, 0.0002308400000000 ] - [ -0.0010317400000000, -0.0025168900000000, -0.0002331700000000 ] - [ 0.0000544500000000, 0.0005942900000000, 0.0016448800000000 ] - [ 0.0008626500000000, -0.0007485100000000, -0.0005058300000000 ] - [ 0.0003017100000000, -0.0003347000000000, -0.0002558700000000 ] - [ -0.0077231300000000, 0.0048867500000000, 0.0002780500000000 ] - [ 0.0012634700000000, -0.0012326500000000, 0.0004699100000000 ] - [ -0.0009673800000000, -0.0000419000000000, -0.0037025700000000 ] - [ 0.0000917800000000, -0.0002358300000000, 0.0011820100000000 ] - [ -0.0004168600000000, 0.0012480800000000, 0.0001859200000000 ] - [ -0.0001477300000000, -0.0009986700000000, -0.0027969500000000 ] - [ 0.0002696700000000, 0.0000793800000000, 0.0006464100000000 ] - [ -0.0002587400000000, 0.0030581000000000, 0.0024708600000000 ] - [ 0.0081222200000000, -0.0243735900000000, -0.0016828200000000 ] - [ -0.0002590300000000, 0.0017496900000000, -0.0041799800000000 ] - [ -0.0001998500000000, 0.0006569900000000, 0.0009749000000000 ] - [ 0.0000715200000000, 0.0003025100000000, -0.0009130300000000 ] - [ -0.0005093000000000, -0.0013905600000000, 0.0033797600000000 ] - [ 0.0004816200000000, 0.0010312900000000, -0.0000345200000000 ] - [ 0.0001410800000000, 0.0011914100000000, -0.0023287900000000 ] - [ -0.0002798800000000, -0.0000867300000000, -0.0004195800000000 ] - [ 0.0002955800000000, -0.0004910000000000, -0.0018544900000000 ] - [ -0.0001204100000000, 0.0002694800000000, -0.0009055300000000 ] - [ -0.0000375400000000, -0.0003629100000000, -0.0001218200000000 ] - [ -0.0010611100000000, 0.0004920500000000, 0.0002299700000000 ] - [ 0.0005030000000000, 0.0001982000000000, -0.0001197100000000 ] - [ -0.0075340300000000, -0.0186573600000000, -0.0015928600000000 ] - [ -0.0000773300000000, -0.0004064700000000, 0.0000024000000000 ] - [ 0.0008071700000000, -0.0016429200000000, 0.0036990300000000 ] - [ -0.0001882800000000, -0.0001070000000000, 0.0007200200000000 ] - [ -0.0004263500000000, -0.0008992600000000, -0.0002937100000000 ] - [ 0.0032837800000000, -0.0082972900000000, -0.0176823000000000 ] - [ 0.0003720500000000, 0.0000726300000000, 0.0012606400000000 ] - [ 0.0001398300000000, 0.0000406700000000, 0.0002418800000000 ] - [ -0.0001449500000000, -0.0002389800000000, -0.0007929500000000 ] - [ -0.0001796800000000, 0.0000723500000000, 0.0011330100000000 ] - [ 0.0011179900000000, 0.0005280100000000, 0.0002509500000000 ] - [ -0.0000387100000000, -0.0010160000000000, 0.0019961100000000 ] - [ 0.0003997700000000, -0.0019724000000000, -0.0008021400000000 ] - [ -0.0006371600000000, -0.0003407600000000, 0.0000661700000000 ] - [ -0.0001783700000000, -0.0008578000000000, -0.0019377800000000 ] - [ -0.0086548400000000, 0.0031721600000000, 0.0047921100000000 ] - [ 0.0027175200000000, -0.0044796700000000, -0.0014884700000000 ] - [ -0.0005850400000000, 0.0092720000000000, 0.0013421500000000 ] - [ 0.0000175700000000, -0.0004415500000000, -0.0005557000000000 ] - [ -0.0004516800000000, 0.0005285000000000, -0.0035364300000000 ] - [ 0.0018033000000000, 0.0013899600000000, -0.0083645300000000 ] - [ 0.0001899400000000, 0.0001745500000000, 0.0030759400000000 ] - [ 0.0013952700000000, 0.0038125100000000, -0.0192754700000000 ] - [ 0.0003597500000000, 0.0001592900000000, 0.0009454100000000 ] - [ 0.0004775700000000, -0.0000732100000000, -0.0000329700000000 ] - [ 0.0008412200000000, -0.0016127000000000, 0.0005327000000000 ] - [ -0.0005964400000000, 0.0006617200000000, 0.0014759300000000 ] - [ -0.0017619800000000, 0.0011922300000000, -0.0005344300000000 ] - [ 0.0009389500000000, 0.0001629800000000, 0.0021607800000000 ] - [ -0.0006559900000000, -0.0000979600000000, 0.0027496000000000 ] - [ -0.0033647600000000, 0.0073662500000000, 0.0035232200000000 ] - [ -0.0001929100000000, -0.0009980900000000, 0.0008486000000000 ] - [ 0.0003454900000000, 0.0000553500000000, -0.0004239800000000 ] - [ 0.0002521600000000, 0.0000395300000000, 0.0005981400000000 ] - [ 0.0000345200000000, -0.0010016200000000, 0.0006979500000000 ] - [ 0.0022809100000000, 0.0006213800000000, 0.0021666900000000 ] - [ 0.0003657000000000, 0.0002726200000000, -0.0007229800000000 ] - [ -0.0000208200000000, -0.0003927600000000, 0.0025068200000000 ] - [ 0.0002475700000000, -0.0006883900000000, 0.0001746300000000 ] - [ 0.0004259100000000, 0.0010439700000000, 0.0004594900000000 ] - [ -0.0023798900000000, 0.0012467600000000, -0.0006864900000000 ] - [ 0.0069584500000000, 0.0056684400000000, -0.0017712800000000 ] - [ -0.0001589500000000, -0.0000781600000000, 0.0002445100000000 ] - [ 0.0000599700000000, -0.0010102000000000, -0.0003259700000000 ] - [ 0.0009269900000000, -0.0009714400000000, -0.0013026800000000 ] - [ -0.0002968400000000, -0.0002587100000000, 0.0002797300000000 ] - [ 0.0000823500000000, 0.0000423100000000, 0.0040796500000000 ] - [ -0.0000649600000000, -0.0007691600000000, -0.0002303600000000 ] - [ -0.0000479900000000, 0.0001906000000000, -0.0018197700000000 ] - [ -0.0097985300000000, -0.0034138500000000, 0.0006106000000000 ] - [ 0.0006356300000000, 0.0005486200000000, -0.0001038300000000 ] - [ -0.0001024800000000, -0.0001630300000000, 0.0002990900000000 ] - [ -0.0002901100000000, -0.0001439800000000, -0.0002436300000000 ] - [ 0.0000882400000000, -0.0008161100000000, 0.0001393300000000 ] - [ -0.0004403700000000, 0.0012877200000000, 0.0026158500000000 ] - [ -0.0008854600000000, 0.0010036900000000, -0.0003049600000000 ] - [ -0.0015033600000000, 0.0023366200000000, -0.0003887300000000 ] - [ 0.0004951900000000, 0.0001241900000000, 0.0001973400000000 ] - [ -0.0060387000000000, -0.0059423900000000, 0.0092298400000000 ] - [ 0.0001324800000000, 0.0007390600000000, -0.0000529100000000 ] - [ -0.0009284100000000, -0.0001120300000000, 0.0031814800000000 ] - [ -0.0007077700000000, 0.0004349300000000, 0.0008287500000000 ] - [ -0.0002541100000000, 0.0000083100000000, 0.0027655700000000 ] - [ 0.0015540500000000, 0.0022941900000000, 0.0018867500000000 ] - [ 0.0039576700000000, -0.0015878900000000, -0.0103194300000000 ] - [ -0.0009599200000000, 0.0003008700000000, 0.0010884600000000 ] - [ 0.0023093500000000, 0.0014639200000000, -0.0023568800000000 ] - [ -0.0009848500000000, 0.0001920800000000, 0.0040027400000000 ] - [ -0.0004317500000000, -0.0002499000000000, 0.0002767900000000 ] - [ -0.0007266500000000, -0.0013714900000000, 0.0006735900000000 ] - [ 0.0000131300000000, 0.0000027500000000, -0.0003487300000000 ] - [ 0.0001462300000000, -0.0003669500000000, -0.0011634300000000 ] - [ -0.0000670600000000, -0.0005844700000000, 0.0027954700000000 ] - [ 0.0001786500000000, -0.0000556000000000, -0.0011553200000000 ] - [ -0.0000260300000000, 0.0007144500000000, 0.0000293300000000 ] - [ 0.0332386000000000, 0.0207754700000000, -0.0301882700000000 ] - [ 0.0041953900000000, 0.0009071700000000, -0.0005592700000000 ] - [ 0.0001438600000000, -0.0019243600000000, 0.0012264200000000 ] - [ -0.0110485300000000, -0.0048974700000000, -0.0102960600000000 ] - [ -0.0008529500000000, -0.0024841700000000, -0.0045982200000000 ] - [ -0.0007268500000000, 0.0001378600000000, 0.0018595600000000 ] - [ -0.0001416600000000, -0.0001062700000000, -0.0015927000000000 ] - [ -0.0000494800000000, 0.0003307500000000, 0.0001201000000000 ] - [ -0.0006867000000000, 0.0010756000000000, -0.0007249800000000 ] - [ 0.0002511000000000, 0.0007625000000000, 0.0012638800000000 ] - [ -0.0005875400000000, 0.0003948500000000, 0.0008175400000000 ] - [ 0.0001827200000000, -0.0016543600000000, -0.0006830800000000 ] - [ -0.0002210300000000, 0.0004956800000000, -0.0001297900000000 ] - [ 0.0001815500000000, 0.0004744100000000, -0.0003634200000000 ] - [ -0.0004993200000000, 0.0004290200000000, 0.0005123800000000 ] - [ 0.0011433300000000, -0.0003207300000000, 0.0011226100000000 ] - [ 0.0036678400000000, 0.0003108100000000, -0.0119331000000000 ] - [ 0.0043981600000000, 0.0016457600000000, -0.0132794000000000 ] - [ -0.0010213500000000, 0.0008767400000000, 0.0016940100000000 ] - [ -0.0002836400000000, 0.0000218300000000, 0.0006402100000000 ] - [ 0.0015405600000000, -0.0013675500000000, 0.0027519600000000 ] - [ 0.0002782500000000, -0.0000540400000000, 0.0001988700000000 ]- atom: 30 displacement: [ 0.0099999639143206, 0.0000000000000000, -0.0000268647033593 ] forces: - [ 0.0016826100000000, 0.0001679000000000, 0.0002637600000000 ] - [ -0.0000438000000000, 0.0002825500000000, 0.0000349100000000 ] - [ -0.0002536200000000, -0.0000306000000000, 0.0000932400000000 ] - [ 0.0005405200000000, 0.0002647000000000, -0.0015473200000000 ] - [ -0.0000480700000000, -0.0002297200000000, -0.0002030900000000 ] - [ 0.0003752700000000, -0.0001920600000000, -0.0001230500000000 ] - [ -0.0000824000000000, 0.0000377000000000, -0.0000154700000000 ] - [ 0.0062196800000000, 0.0036857400000000, -0.0036591500000000 ] - [ 0.0012515100000000, -0.0008458800000000, -0.0019219000000000 ] - [ -0.0004216200000000, 0.0000374300000000, 0.0000416500000000 ] - [ -0.0031547900000000, -0.0006447300000000, 0.0003861600000000 ] - [ 0.0015597100000000, 0.0000176600000000, -0.0001688600000000 ] - [ 0.0002511700000000, -0.0002042900000000, 0.0001937300000000 ] - [ -0.0025885200000000, -0.0000697600000000, 0.0009084000000000 ] - [ -0.0000430700000000, -0.0001455400000000, -0.0000066300000000 ] - [ -0.0005312600000000, -0.0000394500000000, 0.0001509900000000 ] - [ 0.0004476900000000, -0.0003140800000000, -0.0000482900000000 ] - [ -0.0010626000000000, 0.0000004600000000, -0.0000058100000000 ] - [ -0.0003910900000000, 0.0004228600000000, -0.0001868200000000 ] - [ -0.0001144600000000, 0.0003896000000000, 0.0013201100000000 ] - [ 0.0003453000000000, -0.0002640700000000, -0.0001201100000000 ] - [ -0.0004259400000000, 0.0004067200000000, -0.0001021600000000 ] - [ 0.0044410000000000, -0.0044506900000000, -0.0053897400000000 ] - [ 0.0002700400000000, 0.0000526000000000, 0.0010404700000000 ] - [ 0.0016948900000000, -0.0106600500000000, -0.0009560900000000 ] - [ 0.0000555500000000, 0.0099001600000000, -0.0013890300000000 ] - [ 0.0073303600000000, 0.0066851600000000, 0.0094093100000000 ] - [ -0.0003376300000000, -0.0034342700000000, -0.0007502500000000 ] - [ -0.0000264600000000, 0.0002210500000000, -0.0001068800000000 ] - [ -0.0871695500000000, -0.0042210700000000, 0.0280271700000000 ] - [ -0.0006751600000000, 0.0002570200000000, 0.0002960200000000 ] - [ 0.0006920800000000, 0.0001728700000000, -0.0000807900000000 ] - [ 0.0004649900000000, 0.0003674600000000, 0.0003253900000000 ] - [ -0.0002776700000000, 0.0001379900000000, -0.0004265400000000 ] - [ -0.0000246800000000, -0.0002271100000000, 0.0009545800000000 ] - [ 0.0002834000000000, -0.0002496900000000, -0.0014287700000000 ] - [ 0.0015821200000000, -0.0002263600000000, 0.0007924200000000 ] - [ 0.0003021200000000, 0.0005042300000000, -0.0001316600000000 ] - [ 0.0011527600000000, 0.0040314700000000, -0.0002096600000000 ] - [ 0.0004492000000000, -0.0009949400000000, 0.0000681100000000 ] - [ 0.0210512600000000, 0.0007386300000000, -0.0029997600000000 ] - [ 0.0004788800000000, 0.0001830800000000, -0.0005144600000000 ] - [ 0.0001494200000000, -0.0001994000000000, 0.0010638400000000 ] - [ 0.0003012700000000, 0.0000868900000000, 0.0001317300000000 ] - [ 0.0094889800000000, -0.0141318700000000, 0.0120136100000000 ] - [ 0.0014833300000000, 0.0006876800000000, -0.0004155700000000 ] - [ 0.0002023000000000, 0.0002014900000000, -0.0021793600000000 ] - [ 0.0000119100000000, -0.0000671100000000, -0.0003365400000000 ] - [ 0.0000764300000000, -0.0001703000000000, -0.0000425200000000 ] - [ -0.0009555800000000, 0.0001758100000000, 0.0000517300000000 ] - [ -0.0126093200000000, -0.0043133900000000, -0.0037175100000000 ] - [ 0.0000629900000000, 0.0000690900000000, -0.0008908300000000 ] - [ 0.0039251300000000, -0.0011606000000000, -0.0014067600000000 ] - [ 0.0021760700000000, 0.0001987000000000, -0.0003845800000000 ] - [ 0.0001821700000000, -0.0002030500000000, 0.0000051000000000 ] - [ 0.0011851200000000, -0.0006498100000000, 0.0008235800000000 ] - [ 0.0000914700000000, 0.0002541500000000, -0.0001011100000000 ] - [ 0.0002080900000000, -0.0003855400000000, -0.0000317400000000 ] - [ -0.0262257700000000, 0.0035367100000000, -0.0005246000000000 ] - [ 0.0228673200000000, 0.0253300600000000, 0.0014674700000000 ] - [ -0.0227546500000000, 0.0095723100000000, -0.0088622700000000 ] - [ -0.0001019600000000, -0.0000348200000000, 0.0002849500000000 ] - [ 0.0001133000000000, 0.0001423000000000, 0.0000528500000000 ] - [ -0.0005844800000000, -0.0001659400000000, 0.0005618200000000 ] - [ 0.0000184800000000, 0.0004250000000000, -0.0022850100000000 ] - [ 0.0017271300000000, -0.0024862400000000, -0.0008600400000000 ] - [ -0.0000310800000000, 0.0005359000000000, 0.0013755800000000 ] - [ 0.0025540400000000, 0.0014321000000000, 0.0003558900000000 ] - [ 0.0000336600000000, 0.0002947200000000, 0.0002285700000000 ] - [ 0.0006695300000000, 0.0003833100000000, 0.0014302100000000 ] - [ -0.0005242600000000, -0.0002607600000000, -0.0005210900000000 ] - [ 0.0000472300000000, 0.0000600900000000, 0.0000441500000000 ] - [ -0.0001608700000000, -0.0010906900000000, 0.0014245100000000 ] - [ -0.0005419900000000, 0.0001651900000000, 0.0003191400000000 ] - [ 0.0008244000000000, -0.0009413900000000, -0.0022639400000000 ] - [ 0.0000049600000000, -0.0000048800000000, 0.0001243100000000 ] - [ -0.0000624200000000, -0.0002216100000000, -0.0001241200000000 ] - [ -0.0000015000000000, 0.0000014800000000, -0.0001102500000000 ] - [ 0.0002584400000000, -0.0001019800000000, -0.0001870700000000 ] - [ 0.0222586100000000, -0.0066086300000000, 0.0011403800000000 ] - [ 0.0005336100000000, 0.0007242600000000, 0.0000484100000000 ] - [ -0.0003492400000000, -0.0008675700000000, 0.0014471900000000 ] - [ -0.0008894700000000, -0.0005405800000000, -0.0003430300000000 ] - [ -0.0004548600000000, 0.0008621400000000, -0.0001278300000000 ] - [ -0.0145445700000000, -0.0013221500000000, -0.0021305000000000 ] - [ 0.0004768500000000, 0.0003815800000000, 0.0011288600000000 ] - [ 0.0005652600000000, -0.0002802000000000, -0.0002655700000000 ] - [ -0.0010968900000000, 0.0003154000000000, -0.0004013200000000 ] - [ -0.0000870800000000, -0.0000667600000000, 0.0001456500000000 ] - [ 0.0002258400000000, -0.0004170500000000, 0.0001479800000000 ] - [ 0.0001917600000000, 0.0018832200000000, -0.0007517500000000 ] - [ -0.0006762200000000, -0.0000448700000000, 0.0001106800000000 ] - [ 0.0001523200000000, 0.0001605300000000, 0.0012520000000000 ] - [ -0.0002420400000000, 0.0004474500000000, 0.0010784900000000 ] - [ -0.0047506800000000, 0.0014499900000000, 0.0003652000000000 ] - [ 0.0070473500000000, -0.0009722800000000, -0.0000313700000000 ] - [ -0.0099282700000000, 0.0043383900000000, 0.0016567900000000 ] - [ -0.0006095000000000, -0.0004535200000000, -0.0000476300000000 ] - [ -0.0002131800000000, 0.0006660900000000, 0.0009032500000000 ] - [ -0.0037338700000000, 0.0003276500000000, 0.0008630800000000 ] - [ 0.0039523100000000, -0.0014192500000000, 0.0051254400000000 ] - [ -0.0006671200000000, -0.0014419600000000, -0.0016261400000000 ] - [ 0.0003625900000000, -0.0015801400000000, -0.0016315800000000 ] - [ 0.0036490900000000, -0.0005457400000000, 0.0003216700000000 ] - [ 0.0001584600000000, -0.0003079500000000, -0.0002232400000000 ] - [ 0.0161196200000000, -0.0034952800000000, -0.0055363100000000 ] - [ 0.0000750700000000, 0.0000946400000000, 0.0004812300000000 ] - [ 0.0004936600000000, 0.0001540300000000, 0.0001325500000000 ] - [ -0.0005513400000000, -0.0003081700000000, 0.0006493000000000 ] - [ -0.0000206800000000, -0.0002228400000000, -0.0006242500000000 ] - [ -0.0003232000000000, -0.0003024100000000, 0.0003329100000000 ] - [ 0.0000802700000000, 0.0000990700000000, -0.0000069100000000 ] - [ 0.0003514500000000, 0.0002101000000000, -0.0012216800000000 ] - [ -0.0000481300000000, 0.0000544100000000, 0.0002729800000000 ] - [ 0.0269216700000000, -0.0074040000000000, -0.0126783700000000 ] - [ 0.0003682300000000, 0.0002277000000000, -0.0001738100000000 ] - [ -0.0006458100000000, 0.0010716000000000, -0.0012270000000000 ] - [ 0.0001220900000000, 0.0001730800000000, 0.0001512200000000 ] - [ -0.0001416500000000, -0.0003886400000000, -0.0002286100000000 ] - [ -0.0168628600000000, -0.0032365000000000, -0.0030250800000000 ] - [ 0.0022868900000000, 0.0029413900000000, -0.0006208900000000 ] - [ -0.0001267800000000, -0.0001061300000000, 0.0002525600000000 ] - [ -0.0002366700000000, -0.0001939400000000, -0.0001219000000000 ] - [ 0.0003909000000000, -0.0003545500000000, 0.0000298600000000 ] - [ -0.0002186500000000, -0.0004113300000000, -0.0000789900000000 ] - [ -0.0015753300000000, -0.0001888800000000, -0.0004075500000000 ] - [ -0.0001553700000000, -0.0000676300000000, -0.0002550500000000 ] - [ -0.0003122300000000, 0.0015477000000000, -0.0016954400000000 ] - [ -0.0015925100000000, 0.0010508700000000, 0.0003383400000000 ] - [ 0.0015257400000000, -0.0001218400000000, -0.0000486500000000 ] - [ -0.0000248200000000, -0.0000427200000000, 0.0000045400000000 ] - [ -0.0007152300000000, -0.0004000700000000, 0.0008066100000000 ] - [ -0.0002823500000000, -0.0000308200000000, 0.0003816000000000 ] - [ 0.0001752000000000, 0.0005493000000000, -0.0006036600000000 ] - [ -0.0029281600000000, 0.0015695100000000, -0.0001122300000000 ] - [ -0.0079826700000000, -0.0074105000000000, 0.0008654000000000 ] - [ 0.0004433500000000, -0.0000361400000000, 0.0000140400000000 ] - [ 0.0025041600000000, 0.0004356700000000, 0.0032095000000000 ] - [ 0.0001248900000000, 0.0005788700000000, -0.0001739800000000 ] - [ -0.0002879100000000, -0.0000212500000000, -0.0003497200000000 ] - [ -0.0001911500000000, -0.0005148300000000, 0.0000583700000000 ] - [ -0.0026673600000000, -0.0005228800000000, -0.0022390600000000 ] - [ -0.0001157700000000, -0.0000175800000000, -0.0004318400000000 ] - [ -0.0034288100000000, 0.0008667400000000, -0.0008836200000000 ] - [ -0.0005156300000000, 0.0005023400000000, 0.0006720400000000 ] - [ -0.0004290800000000, 0.0005243100000000, 0.0007278300000000 ] - [ -0.0031846700000000, -0.0002861600000000, 0.0001876800000000 ] - [ -0.0004813700000000, -0.0002690400000000, 0.0001281700000000 ] - [ -0.0004927800000000, -0.0003903300000000, 0.0003513200000000 ] - [ 0.0000076300000000, -0.0000549200000000, 0.0001237100000000 ] - [ -0.0000315100000000, -0.0000194500000000, -0.0001690700000000 ] - [ 0.0003078500000000, 0.0006012300000000, -0.0012853800000000 ] - [ 0.0004637100000000, -0.0002550000000000, -0.0003546600000000 ] - [ -0.0019943200000000, -0.0009617800000000, 0.0000644500000000 ] - [ 0.0065895000000000, 0.0018167300000000, -0.0048626600000000 ] - [ 0.0172763000000000, 0.0030429900000000, 0.0002259700000000 ] - [ 0.0000874100000000, -0.0005748700000000, -0.0000173600000000 ] - [ 0.0124549100000000, -0.0010416600000000, -0.0012504200000000 ] - [ -0.0031605000000000, 0.0001197500000000, 0.0016274100000000 ] - [ -0.0000655200000000, -0.0000959400000000, -0.0000793300000000 ] - [ -0.0000409900000000, -0.0012314800000000, 0.0021907600000000 ] - [ -0.0000985900000000, 0.0006692500000000, 0.0000211100000000 ] - [ 0.0138693400000000, 0.0079296300000000, 0.0016585700000000 ] - [ -0.0001120300000000, 0.0015171500000000, 0.0023232200000000 ] - [ -0.0012199600000000, 0.0006103700000000, 0.0007168900000000 ] - [ -0.0002136200000000, 0.0002533100000000, -0.0006773300000000 ] - [ 0.0000139000000000, 0.0000317900000000, 0.0003697700000000 ] - [ 0.0011153500000000, 0.0004233700000000, -0.0001596500000000 ] - [ 0.0000468100000000, -0.0001724200000000, 0.0001473600000000 ] - [ 0.0003554600000000, -0.0004180900000000, 0.0002315900000000 ] - [ 0.0089520400000000, -0.0102689700000000, -0.0021884300000000 ] - [ -0.0005023000000000, -0.0004550300000000, -0.0014485100000000 ] - [ -0.0002810400000000, 0.0001773000000000, -0.0003117300000000 ] - [ -0.0003646400000000, -0.0000294300000000, -0.0003436700000000 ] - [ 0.0004568200000000, -0.0006514200000000, 0.0000204600000000 ] - [ -0.0000463500000000, -0.0000415300000000, -0.0003599200000000 ]- atom: 30 displacement: [ -0.0099999639143206, 0.0000000000000000, 0.0000268647033593 ] forces: - [ -0.0014944000000000, -0.0003749300000000, -0.0000750000000000 ] - [ -0.0000817300000000, 0.0001560300000000, -0.0000923600000000 ] - [ 0.0008722300000000, 0.0000263300000000, -0.0002346500000000 ] - [ -0.0004646000000000, -0.0009351800000000, 0.0018288300000000 ] - [ -0.0000440700000000, -0.0004338400000000, -0.0000766600000000 ] - [ -0.0005670100000000, -0.0000230400000000, -0.0000615400000000 ] - [ -0.0001077000000000, 0.0001767300000000, -0.0001691600000000 ] - [ -0.0053934500000000, -0.0033976900000000, 0.0039216200000000 ] - [ -0.0011903500000000, 0.0007458200000000, 0.0018223300000000 ] - [ 0.0003642200000000, 0.0000694200000000, 0.0000699000000000 ] - [ 0.0032536100000000, 0.0012947300000000, -0.0001156600000000 ] - [ -0.0014367300000000, -0.0004489100000000, 0.0002203300000000 ] - [ 0.0006156200000000, -0.0001322500000000, 0.0000225900000000 ] - [ 0.0026596900000000, 0.0001526500000000, -0.0010178100000000 ] - [ -0.0000160300000000, 0.0000427800000000, 0.0001209400000000 ] - [ -0.0000835400000000, 0.0000300100000000, -0.0000038900000000 ] - [ -0.0005753900000000, -0.0001262300000000, -0.0000091600000000 ] - [ 0.0001990200000000, -0.0003308100000000, -0.0002178300000000 ] - [ -0.0004756900000000, -0.0000857900000000, -0.0000301600000000 ] - [ 0.0002328400000000, 0.0000426700000000, -0.0012609900000000 ] - [ 0.0002702100000000, 0.0002763300000000, -0.0000266300000000 ] - [ 0.0003351800000000, 0.0002599400000000, -0.0001754100000000 ] - [ -0.0050550700000000, 0.0044246400000000, 0.0054915100000000 ] - [ -0.0000734200000000, 0.0001600900000000, -0.0008623200000000 ] - [ -0.0011590100000000, 0.0103883300000000, 0.0018731100000000 ] - [ 0.0000005100000000, -0.0103682200000000, 0.0016752900000000 ] - [ -0.0076890500000000, -0.0078088800000000, -0.0088298200000000 ] - [ -0.0002173100000000, 0.0031533900000000, -0.0001688700000000 ] - [ -0.0000430900000000, 0.0002540500000000, -0.0001810700000000 ] - [ 0.0863294200000000, 0.0036818500000000, -0.0297142500000000 ] - [ 0.0004907300000000, 0.0000633200000000, 0.0005755600000000 ] - [ -0.0005773000000000, 0.0002075400000000, 0.0001689000000000 ] - [ -0.0008393900000000, 0.0006607000000000, 0.0003421600000000 ] - [ -0.0002471400000000, 0.0001837000000000, -0.0004926900000000 ] - [ -0.0000913400000000, -0.0001505900000000, -0.0010432700000000 ] - [ -0.0000989700000000, -0.0000670100000000, 0.0005624800000000 ] - [ -0.0011887500000000, 0.0004053300000000, -0.0008684800000000 ] - [ 0.0000678800000000, -0.0015249900000000, -0.0005319000000000 ] - [ -0.0011994300000000, -0.0045044400000000, -0.0000800500000000 ] - [ -0.0000496000000000, 0.0008186600000000, -0.0001558400000000 ] - [ -0.0211970100000000, -0.0003478200000000, 0.0029270000000000 ] - [ 0.0000440000000000, 0.0001360300000000, 0.0014714100000000 ] - [ -0.0000331400000000, -0.0001733200000000, -0.0009793600000000 ] - [ -0.0007015700000000, 0.0000983400000000, -0.0000478000000000 ] - [ -0.0098896300000000, 0.0138060600000000, -0.0118225300000000 ] - [ -0.0011147800000000, 0.0003309800000000, -0.0002595500000000 ] - [ -0.0001326700000000, 0.0002696500000000, 0.0024515600000000 ] - [ -0.0001979400000000, -0.0002450700000000, 0.0012114000000000 ] - [ -0.0003938100000000, -0.0003098600000000, -0.0000096900000000 ] - [ 0.0010288000000000, 0.0002246900000000, 0.0001171700000000 ] - [ 0.0132216900000000, 0.0044096200000000, 0.0031680400000000 ] - [ 0.0002371200000000, -0.0002068900000000, 0.0014346100000000 ] - [ -0.0035182500000000, 0.0017857700000000, 0.0011564700000000 ] - [ -0.0026014200000000, 0.0004697300000000, 0.0006224800000000 ] - [ 0.0001336500000000, -0.0002725800000000, 0.0000487300000000 ] - [ -0.0008851500000000, -0.0001317100000000, -0.0012847200000000 ] - [ -0.0000587900000000, 0.0003581800000000, -0.0001152100000000 ] - [ 0.0002123000000000, -0.0002754100000000, -0.0002076500000000 ] - [ 0.0262682500000000, -0.0029947100000000, 0.0003690800000000 ] - [ -0.0226949100000000, -0.0255596300000000, -0.0011958500000000 ] - [ 0.0225626500000000, -0.0094760500000000, 0.0082509100000000 ] - [ 0.0003971400000000, 0.0001687900000000, 0.0002588000000000 ] - [ -0.0001474800000000, 0.0004668400000000, 0.0001627800000000 ] - [ 0.0001644200000000, -0.0004950700000000, -0.0003242400000000 ] - [ -0.0003145900000000, -0.0005592900000000, 0.0017375800000000 ] - [ -0.0014806800000000, 0.0022165700000000, 0.0006886700000000 ] - [ -0.0002191800000000, -0.0002802000000000, -0.0012318600000000 ] - [ -0.0022582800000000, -0.0006708900000000, -0.0007869000000000 ] - [ -0.0003360000000000, 0.0004876200000000, 0.0002275100000000 ] - [ -0.0004168700000000, -0.0001238400000000, -0.0015697800000000 ] - [ 0.0000673800000000, 0.0001868700000000, 0.0012227700000000 ] - [ 0.0002663600000000, 0.0004222200000000, 0.0000094600000000 ] - [ -0.0001526400000000, 0.0003090700000000, -0.0009777200000000 ] - [ 0.0000909800000000, -0.0000955800000000, 0.0003734000000000 ] - [ -0.0003743900000000, 0.0008751100000000, 0.0015811100000000 ] - [ -0.0002576500000000, -0.0002524400000000, 0.0000164300000000 ] - [ -0.0000091300000000, -0.0001738600000000, -0.0000443900000000 ] - [ 0.0000361600000000, -0.0006103100000000, -0.0001062700000000 ] - [ -0.0001875100000000, -0.0002924900000000, 0.0003573300000000 ] - [ -0.0227031100000000, 0.0072897300000000, -0.0012365900000000 ] - [ -0.0000598000000000, 0.0000708300000000, 0.0000173800000000 ] - [ 0.0002135800000000, 0.0008535800000000, -0.0006119500000000 ] - [ 0.0003377300000000, 0.0003692700000000, 0.0008162800000000 ] - [ 0.0001905400000000, -0.0000916200000000, -0.0001141500000000 ] - [ 0.0147760300000000, 0.0011704000000000, 0.0028541100000000 ] - [ 0.0000064100000000, -0.0003112100000000, -0.0009201600000000 ] - [ -0.0000753400000000, 0.0001713900000000, 0.0000123200000000 ] - [ 0.0005349300000000, -0.0002298900000000, 0.0001969200000000 ] - [ -0.0003044300000000, -0.0000032500000000, 0.0002679000000000 ] - [ 0.0002489100000000, -0.0003856300000000, -0.0000831900000000 ] - [ 0.0000505800000000, -0.0017481000000000, 0.0010442000000000 ] - [ 0.0003955300000000, 0.0011289200000000, 0.0002370100000000 ] - [ -0.0006317000000000, 0.0003542000000000, -0.0004175900000000 ] - [ 0.0008196200000000, -0.0004745300000000, -0.0004854200000000 ] - [ 0.0046068000000000, -0.0025911500000000, -0.0000323500000000 ] - [ -0.0068525600000000, -0.0001790400000000, -0.0003366400000000 ] - [ 0.0102025300000000, -0.0036215900000000, -0.0014080600000000 ] - [ 0.0007624100000000, -0.0007297900000000, -0.0002904200000000 ] - [ -0.0001724300000000, -0.0006002700000000, -0.0005003200000000 ] - [ 0.0033427200000000, 0.0005566900000000, -0.0009181400000000 ] - [ -0.0038333100000000, 0.0014474200000000, -0.0059210800000000 ] - [ 0.0000883600000000, 0.0014760700000000, 0.0010498300000000 ] - [ 0.0002096000000000, 0.0016076200000000, 0.0022020600000000 ] - [ -0.0038747300000000, -0.0005876800000000, 0.0000478400000000 ] - [ 0.0001173600000000, -0.0007736900000000, -0.0001230700000000 ] - [ -0.0162355900000000, 0.0035174700000000, 0.0059202900000000 ] - [ -0.0005571200000000, -0.0000242900000000, -0.0006997500000000 ] - [ -0.0000164400000000, 0.0003558000000000, -0.0009682700000000 ] - [ 0.0007860100000000, 0.0002248600000000, -0.0008476500000000 ] - [ -0.0003138000000000, 0.0007681600000000, 0.0012110300000000 ] - [ -0.0000102500000000, -0.0002443600000000, 0.0002550500000000 ] - [ 0.0004881700000000, -0.0001911300000000, 0.0002150600000000 ] - [ -0.0000190600000000, 0.0003331300000000, 0.0006355200000000 ] - [ 0.0001162100000000, 0.0000724700000000, 0.0003896100000000 ] - [ -0.0274819900000000, 0.0070026900000000, 0.0140702700000000 ] - [ -0.0001337500000000, -0.0001403900000000, -0.0000195200000000 ] - [ 0.0012187400000000, -0.0009734600000000, 0.0014312400000000 ] - [ 0.0002036800000000, -0.0000329000000000, 0.0001815100000000 ] - [ -0.0001298900000000, -0.0003893800000000, -0.0000145400000000 ] - [ 0.0176337500000000, 0.0031019500000000, 0.0033749100000000 ] - [ -0.0031412600000000, -0.0016711700000000, 0.0004197600000000 ] - [ -0.0001485700000000, -0.0001344200000000, 0.0000789900000000 ] - [ -0.0000901500000000, 0.0000495800000000, -0.0002107900000000 ] - [ -0.0001737600000000, 0.0006823200000000, 0.0000870200000000 ] - [ -0.0001673300000000, -0.0004554200000000, 0.0000189900000000 ] - [ 0.0013442200000000, 0.0000537400000000, 0.0001047400000000 ] - [ 0.0000875000000000, -0.0000594700000000, -0.0004076400000000 ] - [ 0.0000790500000000, -0.0014141400000000, 0.0014216600000000 ] - [ 0.0025636300000000, -0.0008911600000000, -0.0002123400000000 ] - [ -0.0005623800000000, 0.0007060500000000, -0.0000829600000000 ] - [ -0.0004610600000000, -0.0000303300000000, -0.0002202700000000 ] - [ 0.0004811300000000, 0.0003108400000000, -0.0006122900000000 ] - [ 0.0000674900000000, -0.0002969200000000, -0.0005002700000000 ] - [ -0.0000211700000000, 0.0006248400000000, 0.0002655500000000 ] - [ 0.0019917500000000, -0.0014383800000000, -0.0000101600000000 ] - [ 0.0082914900000000, 0.0084439600000000, -0.0012194700000000 ] - [ 0.0004998000000000, -0.0001079400000000, 0.0001092400000000 ] - [ -0.0021373800000000, -0.0004892000000000, -0.0037026400000000 ] - [ 0.0000940300000000, 0.0005491700000000, -0.0001939900000000 ] - [ -0.0006523000000000, -0.0001201500000000, 0.0002223300000000 ] - [ -0.0000852900000000, -0.0005724400000000, 0.0002902900000000 ] - [ 0.0021130500000000, 0.0004495500000000, 0.0020193900000000 ] - [ 0.0000473900000000, 0.0001419500000000, -0.0002288000000000 ] - [ 0.0028824900000000, -0.0006833000000000, 0.0013781000000000 ] - [ 0.0002993100000000, 0.0006210500000000, -0.0003075200000000 ] - [ 0.0009226000000000, -0.0004119000000000, -0.0009801700000000 ] - [ 0.0029585300000000, 0.0001561100000000, 0.0002106500000000 ] - [ -0.0004839300000000, -0.0003185400000000, 0.0000027100000000 ] - [ 0.0000214900000000, -0.0004090300000000, -0.0004204000000000 ] - [ 0.0002214400000000, -0.0000837600000000, 0.0001561000000000 ] - [ 0.0002642300000000, -0.0001148100000000, -0.0002555500000000 ] - [ -0.0000722300000000, -0.0004692300000000, 0.0008649100000000 ] - [ 0.0000180700000000, -0.0002568300000000, -0.0004803800000000 ] - [ 0.0023861500000000, 0.0018237700000000, -0.0000047800000000 ] - [ -0.0071742500000000, -0.0019451600000000, 0.0051558900000000 ] - [ -0.0173074400000000, -0.0031244300000000, 0.0001014200000000 ] - [ 0.0001806900000000, -0.0001984700000000, 0.0002574300000000 ] - [ -0.0119310400000000, 0.0009648100000000, 0.0013913600000000 ] - [ 0.0034949400000000, -0.0006591400000000, -0.0021825000000000 ] - [ 0.0003420500000000, -0.0001449500000000, -0.0002569300000000 ] - [ 0.0001766000000000, 0.0012132400000000, -0.0030205800000000 ] - [ -0.0000524400000000, 0.0005077400000000, 0.0003182000000000 ] - [ -0.0137492800000000, -0.0071434900000000, -0.0017085000000000 ] - [ 0.0005027600000000, -0.0014605700000000, -0.0027507400000000 ] - [ 0.0007355000000000, -0.0005088300000000, -0.0004691700000000 ] - [ -0.0000226800000000, -0.0001155500000000, 0.0011082700000000 ] - [ -0.0001458900000000, -0.0000136900000000, 0.0004608700000000 ] - [ -0.0008410400000000, -0.0001881100000000, -0.0001717600000000 ] - [ 0.0001708700000000, -0.0001605400000000, -0.0000305500000000 ] - [ 0.0006091100000000, -0.0001694800000000, -0.0003605800000000 ] - [ -0.0100909700000000, 0.0107267200000000, 0.0023161300000000 ] - [ 0.0010522200000000, 0.0002888700000000, 0.0009819600000000 ] - [ -0.0000437500000000, -0.0000385200000000, -0.0000223700000000 ] - [ -0.0002073300000000, 0.0000007500000000, -0.0002308000000000 ] - [ -0.0000706700000000, -0.0002154400000000, 0.0000434700000000 ] - [ 0.0006000100000000, 0.0002132200000000, -0.0001132800000000 ]- atom: 30 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004060400000000, 0.0002348800000000, 0.0010980500000000 ] - [ 0.0000259500000000, 0.0011492200000000, 0.0000209500000000 ] - [ 0.0002379300000000, -0.0005254100000000, 0.0008660200000000 ] - [ 0.0005227100000000, -0.0014174900000000, -0.0010463400000000 ] - [ 0.0000714600000000, 0.0006095700000000, -0.0003588200000000 ] - [ -0.0001676100000000, 0.0006556100000000, 0.0003239200000000 ] - [ -0.0000957400000000, 0.0010714500000000, -0.0001634100000000 ] - [ 0.0038853800000000, -0.0019979500000000, -0.0021941400000000 ] - [ -0.0004521100000000, -0.0011392500000000, 0.0010510100000000 ] - [ 0.0000629000000000, 0.0016840300000000, -0.0009783200000000 ] - [ -0.0008144700000000, 0.0035939700000000, 0.0063102000000000 ] - [ 0.0002294900000000, 0.0000855100000000, -0.0009938100000000 ] - [ 0.0003782000000000, 0.0005684700000000, -0.0002598600000000 ] - [ -0.0001209300000000, 0.0021499900000000, -0.0051247000000000 ] - [ -0.0001626900000000, 0.0009262900000000, 0.0003006800000000 ] - [ -0.0003318300000000, 0.0007936300000000, 0.0004720500000000 ] - [ -0.0000939700000000, 0.0005648500000000, -0.0003425100000000 ] - [ -0.0003108300000000, -0.0003488000000000, -0.0014276200000000 ] - [ -0.0003627100000000, 0.0014126200000000, -0.0002969300000000 ] - [ 0.0000641000000000, -0.0015547300000000, 0.0005057900000000 ] - [ 0.0002579500000000, 0.0011918500000000, 0.0000708500000000 ] - [ -0.0000188100000000, 0.0018350200000000, 0.0009314100000000 ] - [ -0.0048100100000000, -0.0018182700000000, 0.0038555700000000 ] - [ 0.0000442300000000, -0.0012099700000000, -0.0004567100000000 ] - [ -0.0054547100000000, 0.0098896300000000, 0.0015131100000000 ] - [ 0.0060993400000000, 0.0136784200000000, -0.0018225800000000 ] - [ 0.0106798100000000, -0.0077984400000000, 0.0078436800000000 ] - [ -0.0077407600000000, 0.0099971700000000, -0.0003451300000000 ] - [ -0.0001381000000000, 0.0024050200000000, 0.0000176000000000 ] - [ -0.0045411400000000, -0.1072729500000000, -0.0091696900000000 ] - [ -0.0001900300000000, 0.0054760600000000, 0.0003724700000000 ] - [ 0.0000805600000000, 0.0040829300000000, 0.0003538000000000 ] - [ -0.0001899800000000, 0.0024163200000000, 0.0011549200000000 ] - [ -0.0001924000000000, 0.0023466300000000, -0.0005676800000000 ] - [ -0.0000373200000000, -0.0004941800000000, 0.0001341500000000 ] - [ 0.0001834500000000, -0.0000400200000000, -0.0006112200000000 ] - [ -0.0000625900000000, -0.0018711300000000, -0.0012531400000000 ] - [ 0.0006939800000000, 0.0039285900000000, 0.0002463400000000 ] - [ 0.0078872200000000, 0.0092239400000000, 0.0000396300000000 ] - [ -0.0000903100000000, 0.0038944400000000, -0.0007316500000000 ] - [ 0.0006172200000000, -0.0082750500000000, 0.0007397700000000 ] - [ 0.0002113100000000, -0.0022700700000000, 0.0000844900000000 ] - [ 0.0000248400000000, 0.0004732300000000, -0.0000978600000000 ] - [ 0.0000275300000000, 0.0020783200000000, -0.0007202700000000 ] - [ -0.0162501300000000, -0.0054619600000000, -0.0084582500000000 ] - [ 0.0002693900000000, -0.0013531600000000, 0.0006128800000000 ] - [ 0.0001295000000000, -0.0022176600000000, -0.0002138800000000 ] - [ -0.0000040700000000, -0.0000361300000000, 0.0002471800000000 ] - [ -0.0003051200000000, -0.0008874800000000, -0.0000070000000000 ] - [ -0.0003260800000000, 0.0057400400000000, 0.0000316900000000 ] - [ -0.0043231300000000, -0.0040091000000000, -0.0015485900000000 ] - [ 0.0005990300000000, -0.0007030000000000, -0.0026948500000000 ] - [ -0.0001023700000000, -0.0040640500000000, -0.0018014400000000 ] - [ 0.0001111500000000, 0.0031720400000000, -0.0010366400000000 ] - [ 0.0001218500000000, 0.0006405400000000, 0.0000607600000000 ] - [ -0.0012766500000000, -0.0001808600000000, -0.0020084500000000 ] - [ 0.0000294700000000, 0.0012489900000000, -0.0001065400000000 ] - [ 0.0001486300000000, 0.0008664300000000, -0.0003640700000000 ] - [ 0.0051172900000000, 0.0348468900000000, 0.0019974900000000 ] - [ 0.0345992900000000, -0.0149034800000000, -0.0006041600000000 ] - [ 0.0103150200000000, -0.0096896700000000, -0.0012705100000000 ] - [ 0.0010973700000000, 0.0009559900000000, -0.0000284500000000 ] - [ 0.0001038400000000, -0.0005028400000000, 0.0001414000000000 ] - [ -0.0003624900000000, -0.0016646100000000, -0.0002384000000000 ] - [ 0.0005205100000000, 0.0009351700000000, -0.0035576300000000 ] - [ 0.0011507100000000, -0.0040027900000000, -0.0014468700000000 ] - [ 0.0006988500000000, 0.0000414700000000, 0.0033862000000000 ] - [ -0.0015950300000000, -0.0027350400000000, 0.0018507400000000 ] - [ -0.0009101800000000, 0.0017456300000000, 0.0010014900000000 ] - [ 0.0013992000000000, 0.0010401500000000, 0.0027977700000000 ] - [ -0.0007920900000000, -0.0009073000000000, 0.0031596700000000 ] - [ -0.0006048400000000, 0.0035297000000000, -0.0001650200000000 ] - [ -0.0018757600000000, 0.0003013100000000, -0.0029895100000000 ] - [ -0.0013383900000000, 0.0011388600000000, 0.0006415200000000 ] - [ -0.0007004200000000, 0.0012516000000000, 0.0023747100000000 ] - [ 0.0006371800000000, 0.0017669000000000, -0.0003939800000000 ] - [ -0.0000990700000000, 0.0013238100000000, -0.0000900600000000 ] - [ 0.0005573400000000, 0.0029943700000000, -0.0001500400000000 ] - [ 0.0000476800000000, -0.0018850700000000, 0.0000797100000000 ] - [ -0.0213734200000000, -0.0122792100000000, 0.0002653000000000 ] - [ 0.0003906900000000, -0.0027729000000000, 0.0001943400000000 ] - [ -0.0014148100000000, -0.0009672100000000, 0.0038223600000000 ] - [ -0.0013024700000000, -0.0015716600000000, -0.0008316600000000 ] - [ 0.0011375800000000, -0.0029650900000000, 0.0001270000000000 ] - [ 0.0026635800000000, 0.0129504200000000, 0.0011469500000000 ] - [ 0.0004797000000000, -0.0003437400000000, -0.0015865700000000 ] - [ 0.0012988800000000, -0.0017221700000000, -0.0006679200000000 ] - [ 0.0005566800000000, -0.0010962800000000, 0.0006923900000000 ] - [ 0.0000449600000000, -0.0010569500000000, -0.0000548800000000 ] - [ 0.0003764800000000, -0.0013133700000000, -0.0000043100000000 ] - [ 0.0026696800000000, -0.0017296000000000, 0.0040203900000000 ] - [ -0.0013238000000000, -0.0027120000000000, -0.0001006200000000 ] - [ -0.0003540100000000, 0.0000399600000000, 0.0022152100000000 ] - [ 0.0000189300000000, 0.0016915200000000, 0.0006856900000000 ] - [ 0.0003055800000000, 0.0052241100000000, -0.0002236900000000 ] - [ -0.0009598600000000, -0.0142466500000000, -0.0001600500000000 ] - [ 0.0090693200000000, 0.0010841700000000, -0.0006960200000000 ] - [ -0.0000256500000000, -0.0038224700000000, 0.0002207100000000 ] - [ 0.0011228200000000, -0.0010932700000000, -0.0030783500000000 ] - [ -0.0028778900000000, 0.0016427100000000, -0.0001550500000000 ] - [ -0.0024394100000000, 0.0023504800000000, 0.0010382200000000 ] - [ -0.0023549500000000, -0.0008646900000000, -0.0043875800000000 ] - [ -0.0008492900000000, -0.0029163200000000, -0.0028222100000000 ] - [ 0.0006782800000000, -0.0068268700000000, 0.0002926600000000 ] - [ 0.0003016200000000, 0.0006231900000000, -0.0001502500000000 ] - [ -0.0026411100000000, 0.0109213300000000, 0.0073142300000000 ] - [ -0.0003815400000000, -0.0000385800000000, -0.0016284600000000 ] - [ 0.0002858000000000, -0.0000722700000000, 0.0010377600000000 ] - [ -0.0006829500000000, 0.0007015400000000, 0.0011344200000000 ] - [ -0.0002264100000000, -0.0006843400000000, -0.0013560000000000 ] - [ -0.0003927400000000, -0.0018958600000000, 0.0009803200000000 ] - [ 0.0008714100000000, -0.0014930400000000, 0.0003042200000000 ] - [ -0.0004549900000000, 0.0003990600000000, -0.0020734200000000 ] - [ -0.0000946800000000, 0.0003182400000000, 0.0002319800000000 ] - [ -0.0078518200000000, 0.0132585000000000, 0.0048150000000000 ] - [ -0.0007397300000000, -0.0014976500000000, 0.0002607200000000 ] - [ 0.0018192700000000, 0.0005234100000000, 0.0017217100000000 ] - [ 0.0001491500000000, 0.0004087100000000, 0.0001071700000000 ] - [ -0.0003329200000000, -0.0015168600000000, -0.0001238900000000 ] - [ -0.0026498900000000, 0.0207283000000000, -0.0001793200000000 ] - [ 0.0083685800000000, 0.0111832500000000, 0.0005186900000000 ] - [ 0.0000556200000000, -0.0012085700000000, 0.0002634600000000 ] - [ -0.0005123100000000, -0.0033625600000000, -0.0003592600000000 ] - [ 0.0000208300000000, -0.0035647400000000, -0.0002123300000000 ] - [ -0.0004288500000000, -0.0014117900000000, -0.0001804300000000 ] - [ 0.0003913300000000, 0.0016125900000000, -0.0004398900000000 ] - [ 0.0002435300000000, -0.0034173800000000, 0.0001925300000000 ] - [ 0.0009748700000000, -0.0019836200000000, 0.0020381800000000 ] - [ 0.0039041500000000, 0.0009224400000000, 0.0007276700000000 ] - [ -0.0001482900000000, -0.0033738800000000, -0.0003080900000000 ] - [ -0.0000619000000000, -0.0013662500000000, 0.0000860500000000 ] - [ -0.0012645900000000, -0.0012052500000000, 0.0014399600000000 ] - [ -0.0003705500000000, 0.0008277400000000, 0.0000769000000000 ] - [ 0.0001790400000000, 0.0014889900000000, 0.0003366200000000 ] - [ 0.0010600700000000, -0.0022745100000000, 0.0004603300000000 ] - [ -0.0116689500000000, 0.0019891100000000, 0.0006043600000000 ] - [ 0.0008413600000000, -0.0011336200000000, 0.0001981300000000 ] - [ 0.0011185700000000, 0.0013982900000000, -0.0004583900000000 ] - [ 0.0001080800000000, -0.0006830200000000, -0.0001873400000000 ] - [ 0.0000298400000000, 0.0011684800000000, 0.0000962200000000 ] - [ 0.0000414700000000, -0.0016800500000000, 0.0002134800000000 ] - [ 0.0021323200000000, 0.0032665300000000, 0.0007582600000000 ] - [ -0.0002054800000000, -0.0004364800000000, -0.0003663100000000 ] - [ -0.0022376100000000, 0.0032801900000000, -0.0000944900000000 ] - [ -0.0002074000000000, 0.0019482300000000, 0.0002560000000000 ] - [ 0.0013532600000000, 0.0007928800000000, -0.0013449200000000 ] - [ 0.0001179100000000, 0.0027278400000000, -0.0022472300000000 ] - [ -0.0006209300000000, -0.0013274000000000, -0.0000468400000000 ] - [ 0.0000009900000000, 0.0004338400000000, -0.0000837300000000 ] - [ 0.0003254400000000, -0.0011752800000000, 0.0000394200000000 ] - [ 0.0003104100000000, -0.0015516800000000, -0.0009174100000000 ] - [ 0.0003465400000000, -0.0011484200000000, 0.0018420700000000 ] - [ 0.0000148000000000, -0.0015963700000000, -0.0005612600000000 ] - [ -0.0016595900000000, -0.0020599100000000, -0.0001897000000000 ] - [ 0.0021488700000000, 0.0051967400000000, -0.0032400600000000 ] - [ 0.0011120500000000, 0.0054236500000000, 0.0016809700000000 ] - [ -0.0000187500000000, 0.0006870700000000, 0.0001349800000000 ] - [ -0.0005010800000000, 0.0107710100000000, -0.0030273700000000 ] - [ -0.0002473300000000, 0.0027588400000000, 0.0019916500000000 ] - [ 0.0003867800000000, 0.0009884300000000, -0.0000773700000000 ] - [ -0.0008847400000000, -0.0016988600000000, 0.0036514600000000 ] - [ -0.0000761800000000, -0.0004196000000000, 0.0004526000000000 ] - [ 0.0007780400000000, 0.0323736000000000, 0.0040621800000000 ] - [ 0.0013390000000000, -0.0013741600000000, -0.0035006700000000 ] - [ 0.0009652800000000, -0.0013572400000000, -0.0010045200000000 ] - [ 0.0004117800000000, 0.0002448800000000, 0.0015813800000000 ] - [ -0.0002296000000000, -0.0008439800000000, 0.0005986000000000 ] - [ 0.0013549100000000, -0.0035480400000000, 0.0001933200000000 ] - [ -0.0000282700000000, -0.0011745500000000, 0.0001076900000000 ] - [ 0.0002178200000000, 0.0007732300000000, -0.0000961700000000 ] - [ -0.0130172000000000, -0.0080941700000000, -0.0040344400000000 ] - [ -0.0007265800000000, 0.0007125000000000, -0.0016751300000000 ] - [ -0.0000969400000000, -0.0004578500000000, -0.0001476900000000 ] - [ -0.0005107700000000, -0.0011735400000000, -0.0003142100000000 ] - [ -0.0000745100000000, 0.0006459100000000, 0.0000105500000000 ] - [ -0.0004712900000000, -0.0015997300000000, -0.0003999000000000 ]- atom: 30 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002151900000000, -0.0004531600000000, -0.0009114900000000 ] - [ -0.0001555900000000, -0.0007079800000000, -0.0000758700000000 ] - [ 0.0003802600000000, 0.0005249500000000, -0.0010118400000000 ] - [ -0.0004363000000000, 0.0007429100000000, 0.0013298100000000 ] - [ -0.0001646300000000, -0.0012738500000000, 0.0000808200000000 ] - [ -0.0000217300000000, -0.0008683300000000, -0.0005115500000000 ] - [ -0.0000934100000000, -0.0008578100000000, -0.0000206800000000 ] - [ -0.0030167100000000, 0.0023619500000000, 0.0024190900000000 ] - [ 0.0005173400000000, 0.0010230000000000, -0.0011691900000000 ] - [ -0.0001209400000000, -0.0015836700000000, 0.0010983400000000 ] - [ 0.0008999100000000, -0.0029089800000000, -0.0059736400000000 ] - [ -0.0000990200000000, -0.0005310700000000, 0.0010464800000000 ] - [ 0.0004881100000000, -0.0009055600000000, 0.0004755000000000 ] - [ 0.0001742800000000, -0.0020407100000000, 0.0049724800000000 ] - [ 0.0001054800000000, -0.0010307200000000, -0.0001894400000000 ] - [ -0.0002872400000000, -0.0008046400000000, -0.0003252000000000 ] - [ -0.0000354300000000, -0.0010043400000000, 0.0002912300000000 ] - [ -0.0005548700000000, 0.0000262500000000, 0.0012103300000000 ] - [ -0.0005030400000000, -0.0010777900000000, 0.0000782300000000 ] - [ 0.0000589600000000, 0.0019863900000000, -0.0004553400000000 ] - [ 0.0003597800000000, -0.0011827500000000, -0.0002141700000000 ] - [ -0.0000743300000000, -0.0011744600000000, -0.0012179100000000 ] - [ 0.0042008000000000, 0.0018621300000000, -0.0037242500000000 ] - [ 0.0001485000000000, 0.0014198600000000, 0.0006438000000000 ] - [ 0.0059289800000000, -0.0101993700000000, -0.0006029400000000 ] - [ -0.0059697100000000, -0.0140983600000000, 0.0021084100000000 ] - [ -0.0110750300000000, 0.0068339500000000, -0.0072225300000000 ] - [ 0.0072574200000000, -0.0103529300000000, -0.0005714600000000 ] - [ 0.0000683500000000, -0.0019313600000000, -0.0003074900000000 ] - [ 0.0034188900000000, 0.1075007500000000, 0.0081029900000000 ] - [ 0.0000035700000000, -0.0051662700000000, 0.0004991400000000 ] - [ 0.0000372400000000, -0.0037120500000000, -0.0002671200000000 ] - [ -0.0001813900000000, -0.0013955100000000, -0.0004869900000000 ] - [ -0.0003319200000000, -0.0020260300000000, -0.0003492700000000 ] - [ -0.0000802900000000, 0.0001091400000000, -0.0002205400000000 ] - [ 0.0000022600000000, -0.0002843100000000, -0.0002610000000000 ] - [ 0.0004592400000000, 0.0020693200000000, 0.0011711800000000 ] - [ -0.0003185000000000, -0.0049541800000000, -0.0009066200000000 ] - [ -0.0080019300000000, -0.0097291600000000, -0.0003307900000000 ] - [ 0.0004857600000000, -0.0040801600000000, 0.0006420100000000 ] - [ -0.0007496800000000, 0.0086380600000000, -0.0008238100000000 ] - [ 0.0003145000000000, 0.0025865400000000, 0.0008524700000000 ] - [ 0.0000924800000000, -0.0008377700000000, 0.0001843700000000 ] - [ -0.0004268500000000, -0.0019005800000000, 0.0008028000000000 ] - [ 0.0159049200000000, 0.0053697300000000, 0.0086219600000000 ] - [ 0.0001036400000000, 0.0023921100000000, -0.0012831000000000 ] - [ -0.0000585600000000, 0.0026864900000000, 0.0004700500000000 ] - [ -0.0001818000000000, -0.0002658600000000, 0.0006239300000000 ] - [ -0.0000096700000000, 0.0004014500000000, -0.0000460100000000 ] - [ 0.0003957800000000, -0.0053217700000000, 0.0001368400000000 ] - [ 0.0048369800000000, 0.0040656900000000, 0.0009831200000000 ] - [ -0.0003104600000000, 0.0005777500000000, 0.0032577800000000 ] - [ 0.0005239000000000, 0.0047504300000000, 0.0015715300000000 ] - [ -0.0005288200000000, -0.0025121600000000, 0.0012754500000000 ] - [ 0.0001954600000000, -0.0011116300000000, -0.0000064600000000 ] - [ 0.0015765600000000, -0.0006048400000000, 0.0015463400000000 ] - [ 0.0000027600000000, -0.0006308100000000, -0.0001100400000000 ] - [ 0.0002713400000000, -0.0015313400000000, 0.0001263100000000 ] - [ -0.0052931300000000, -0.0349883800000000, -0.0022223200000000 ] - [ -0.0344147600000000, 0.0141075700000000, 0.0008181500000000 ] - [ -0.0106644200000000, 0.0098473200000000, 0.0005536900000000 ] - [ -0.0008054700000000, -0.0008240100000000, 0.0005694500000000 ] - [ -0.0001376000000000, 0.0011053400000000, 0.0000748100000000 ] - [ -0.0000598200000000, 0.0010101400000000, 0.0004784100000000 ] - [ -0.0008141800000000, -0.0010673600000000, 0.0030010600000000 ] - [ -0.0009015400000000, 0.0037525100000000, 0.0013044700000000 ] - [ -0.0009596100000000, 0.0002269900000000, -0.0032592900000000 ] - [ 0.0018975700000000, 0.0035168400000000, -0.0023086200000000 ] - [ 0.0006093400000000, -0.0009665200000000, -0.0005486400000000 ] - [ -0.0011437800000000, -0.0007835200000000, -0.0029274500000000 ] - [ 0.0003480900000000, 0.0008473200000000, -0.0024838100000000 ] - [ 0.0009239500000000, -0.0030560000000000, 0.0002190300000000 ] - [ 0.0015871700000000, -0.0010764300000000, 0.0034590700000000 ] - [ 0.0008882700000000, -0.0010700200000000, 0.0000542200000000 ] - [ 0.0011524200000000, -0.0013220200000000, -0.0030621600000000 ] - [ -0.0008905900000000, -0.0020273700000000, 0.0005374700000000 ] - [ 0.0000283800000000, -0.0017229300000000, -0.0000786300000000 ] - [ -0.0005290600000000, -0.0036117900000000, -0.0000658500000000 ] - [ 0.0000250300000000, 0.0014974100000000, 0.0000884100000000 ] - [ 0.0210082900000000, 0.0127227000000000, -0.0003214300000000 ] - [ 0.0000791000000000, 0.0035807800000000, -0.0001297900000000 ] - [ 0.0012928600000000, 0.0009493100000000, -0.0030104700000000 ] - [ 0.0007477900000000, 0.0014014900000000, 0.0013010900000000 ] - [ -0.0014115500000000, 0.0037470200000000, -0.0003701000000000 ] - [ -0.0026029400000000, -0.0130601300000000, -0.0004983600000000 ] - [ 0.0000088500000000, 0.0004178900000000, 0.0017968200000000 ] - [ -0.0008100500000000, 0.0016144000000000, 0.0004130300000000 ] - [ -0.0011168100000000, 0.0011851800000000, -0.0008969800000000 ] - [ -0.0004369300000000, 0.0009879900000000, 0.0004649000000000 ] - [ 0.0000958800000000, 0.0005079400000000, 0.0000698500000000 ] - [ -0.0024602400000000, 0.0018686800000000, -0.0037638000000000 ] - [ 0.0010490300000000, 0.0038023500000000, 0.0004488100000000 ] - [ -0.0001287300000000, 0.0004749800000000, -0.0013754500000000 ] - [ 0.0005530800000000, -0.0017241300000000, -0.0001078700000000 ] - [ -0.0004527800000000, -0.0064274200000000, 0.0005581100000000 ] - [ 0.0011914400000000, 0.0131937500000000, -0.0002068300000000 ] - [ -0.0088102300000000, -0.0002948700000000, 0.0009549900000000 ] - [ 0.0001767200000000, 0.0026461200000000, -0.0005585100000000 ] - [ -0.0015238500000000, 0.0011635900000000, 0.0035101800000000 ] - [ 0.0025028000000000, -0.0007865400000000, 0.0000983300000000 ] - [ 0.0025811300000000, -0.0023134600000000, -0.0017870800000000 ] - [ 0.0017970100000000, 0.0008896400000000, 0.0038344800000000 ] - [ 0.0014142800000000, 0.0029398400000000, 0.0033837000000000 ] - [ -0.0008929400000000, 0.0056621100000000, 0.0000775000000000 ] - [ -0.0000239100000000, -0.0016978000000000, -0.0001953600000000 ] - [ 0.0025086200000000, -0.0109692500000000, -0.0070417900000000 ] - [ -0.0001038600000000, 0.0001056800000000, 0.0014212500000000 ] - [ 0.0001960900000000, 0.0005786000000000, -0.0018789800000000 ] - [ 0.0009254400000000, -0.0007997700000000, -0.0013332700000000 ] - [ -0.0001038700000000, 0.0012230300000000, 0.0019465700000000 ] - [ 0.0000603900000000, 0.0013544800000000, -0.0003969900000000 ] - [ -0.0003049400000000, 0.0014052700000000, -0.0000951400000000 ] - [ 0.0007840700000000, 0.0001460600000000, 0.0014816400000000 ] - [ 0.0001616400000000, -0.0001856400000000, 0.0004298200000000 ] - [ 0.0074882200000000, -0.0139217800000000, -0.0040439300000000 ] - [ 0.0009769900000000, 0.0015871300000000, -0.0004514400000000 ] - [ -0.0012608400000000, -0.0004447700000000, -0.0015207000000000 ] - [ 0.0001767300000000, -0.0002602600000000, 0.0002252200000000 ] - [ 0.0000621800000000, 0.0007357900000000, -0.0001196000000000 ] - [ 0.0030649400000000, -0.0207995700000000, 0.0005208400000000 ] - [ -0.0092762500000000, -0.0098273500000000, -0.0007642500000000 ] - [ -0.0003294500000000, 0.0009698400000000, 0.0000677200000000 ] - [ 0.0001888400000000, 0.0032245100000000, 0.0000275200000000 ] - [ 0.0002040100000000, 0.0039039000000000, 0.0003301900000000 ] - [ 0.0000427700000000, 0.0005468800000000, 0.0001206100000000 ] - [ -0.0006250400000000, -0.0017531000000000, 0.0001571000000000 ] - [ -0.0003148500000000, 0.0032982900000000, -0.0008561100000000 ] - [ -0.0012012100000000, 0.0021234800000000, -0.0023143000000000 ] - [ -0.0029766800000000, -0.0007885300000000, -0.0006115100000000 ] - [ 0.0011097300000000, 0.0039560200000000, 0.0001755400000000 ] - [ -0.0004258700000000, 0.0012956100000000, -0.0003057600000000 ] - [ 0.0010272700000000, 0.0011176000000000, -0.0012432500000000 ] - [ 0.0001531700000000, -0.0011489700000000, -0.0001936800000000 ] - [ -0.0000255400000000, -0.0003211700000000, -0.0006749600000000 ] - [ -0.0020014600000000, 0.0024183200000000, -0.0005834600000000 ] - [ 0.0119182500000000, -0.0008777800000000, -0.0009613800000000 ] - [ 0.0001017100000000, 0.0009909300000000, -0.0000755800000000 ] - [ -0.0007330500000000, -0.0014450700000000, -0.0000023900000000 ] - [ 0.0001111800000000, 0.0018126400000000, -0.0001805500000000 ] - [ -0.0009702700000000, -0.0013129000000000, -0.0002211500000000 ] - [ -0.0003198700000000, 0.0005903300000000, 0.0001351200000000 ] - [ -0.0026936300000000, -0.0033657600000000, -0.0009689300000000 ] - [ 0.0001370100000000, 0.0005542300000000, -0.0002963900000000 ] - [ 0.0016901500000000, -0.0031194100000000, 0.0005709400000000 ] - [ -0.0000142300000000, -0.0008296300000000, 0.0001129400000000 ] - [ -0.0008729900000000, -0.0006953800000000, 0.0010994400000000 ] - [ -0.0003519800000000, -0.0028576200000000, 0.0026746200000000 ] - [ -0.0003461500000000, 0.0007406700000000, 0.0001787900000000 ] - [ -0.0004733200000000, -0.0012292100000000, 0.0000187800000000 ] - [ -0.0000980200000000, 0.0010387100000000, 0.0002421800000000 ] - [ -0.0000793000000000, 0.0014222500000000, 0.0004966600000000 ] - [ -0.0001167400000000, 0.0012783800000000, -0.0022736400000000 ] - [ 0.0004694900000000, 0.0010875900000000, -0.0002694700000000 ] - [ 0.0020432600000000, 0.0029254900000000, 0.0002493800000000 ] - [ -0.0026944200000000, -0.0053592800000000, 0.0034897900000000 ] - [ -0.0009294800000000, -0.0062438200000000, -0.0014072100000000 ] - [ 0.0002861100000000, -0.0014572000000000, 0.0001067400000000 ] - [ 0.0009967600000000, -0.0109052500000000, 0.0034326300000000 ] - [ 0.0005829600000000, -0.0032972000000000, -0.0025784600000000 ] - [ -0.0001138000000000, -0.0012364300000000, -0.0002558000000000 ] - [ 0.0010111200000000, 0.0016770700000000, -0.0044706700000000 ] - [ -0.0000747900000000, 0.0016030100000000, -0.0001141800000000 ] - [ -0.0000054000000000, -0.0303424400000000, -0.0038980000000000 ] - [ -0.0009405100000000, 0.0014410300000000, 0.0030773300000000 ] - [ -0.0014521000000000, 0.0014644700000000, 0.0012545800000000 ] - [ -0.0006440800000000, -0.0001051300000000, -0.0011503500000000 ] - [ 0.0000985200000000, 0.0008634100000000, 0.0002351900000000 ] - [ -0.0010733000000000, 0.0037815800000000, -0.0005238700000000 ] - [ 0.0002481400000000, 0.0008389700000000, 0.0000090600000000 ] - [ 0.0007467700000000, -0.0013691700000000, -0.0000322000000000 ] - [ 0.0120072600000000, 0.0083446900000000, 0.0041641800000000 ] - [ 0.0012824500000000, -0.0008953300000000, 0.0012079000000000 ] - [ -0.0002273700000000, 0.0005921100000000, -0.0001838500000000 ] - [ -0.0000604800000000, 0.0011469000000000, -0.0002621000000000 ] - [ 0.0004650400000000, -0.0015180100000000, 0.0000528500000000 ] - [ 0.0010239200000000, 0.0017741800000000, -0.0000751200000000 ]- atom: 30 displacement: [ -0.0035230240541542, 0.0000000000000000, 0.0093588621911988 ] forces: - [ -0.0004277700000000, 0.0001385100000000, -0.0004100700000000 ] - [ -0.0000328700000000, 0.0003128500000000, 0.0000935600000000 ] - [ 0.0005006500000000, 0.0022214100000000, 0.0021985900000000 ] - [ -0.0032504200000000, -0.0024961400000000, 0.0034720000000000 ] - [ -0.0000884700000000, -0.0005433300000000, -0.0000907400000000 ] - [ -0.0001970700000000, 0.0002089800000000, -0.0003126400000000 ] - [ -0.0000788400000000, -0.0000036800000000, -0.0000159700000000 ] - [ -0.0065756600000000, -0.0042851700000000, 0.0003152400000000 ] - [ -0.0034744100000000, 0.0023047700000000, 0.0030693400000000 ] - [ -0.0000078500000000, -0.0004600500000000, -0.0002298500000000 ] - [ 0.0016833900000000, 0.0068814000000000, 0.0015450000000000 ] - [ -0.0004580800000000, -0.0007068300000000, -0.0001378600000000 ] - [ 0.0005586100000000, -0.0005480100000000, 0.0003990600000000 ] - [ 0.0018369500000000, -0.0054272600000000, 0.0011088900000000 ] - [ -0.0000767300000000, 0.0001468800000000, 0.0001895800000000 ] - [ -0.0001998000000000, 0.0004226600000000, 0.0002974500000000 ] - [ -0.0001183400000000, -0.0004826400000000, -0.0003621200000000 ] - [ -0.0002815500000000, -0.0029683700000000, 0.0024384300000000 ] - [ -0.0004706500000000, -0.0000518800000000, -0.0002272500000000 ] - [ 0.0025435300000000, 0.0017484800000000, 0.0020620700000000 ] - [ 0.0002900800000000, 0.0002418700000000, -0.0002774500000000 ] - [ 0.0000060600000000, 0.0007898000000000, -0.0002103900000000 ] - [ -0.0086479500000000, 0.0060949500000000, 0.0029228200000000 ] - [ 0.0020060400000000, -0.0007519800000000, 0.0017247700000000 ] - [ 0.0001496100000000, 0.0012730400000000, -0.0027834500000000 ] - [ 0.0001230900000000, -0.0026649800000000, -0.0024430000000000 ] - [ 0.0075718100000000, 0.0045079700000000, -0.0076279900000000 ] - [ -0.0009589300000000, 0.0014608300000000, -0.0028379400000000 ] - [ -0.0000558400000000, 0.0001892800000000, 0.0003260400000000 ] - [ 0.0576530800000000, -0.0067753000000000, -0.1476268900000000 ] - [ -0.0000192500000000, 0.0001808500000000, -0.0000428600000000 ] - [ 0.0000151000000000, 0.0001859500000000, -0.0003893600000000 ] - [ -0.0004144000000000, 0.0008337800000000, 0.0010091200000000 ] - [ -0.0002821800000000, 0.0000947900000000, -0.0000188800000000 ] - [ 0.0011248500000000, 0.0000239300000000, 0.0019085100000000 ] - [ -0.0008988800000000, 0.0000462100000000, 0.0022011700000000 ] - [ 0.0003458500000000, -0.0004628700000000, 0.0025572300000000 ] - [ 0.0002496800000000, -0.0002780800000000, -0.0009976500000000 ] - [ 0.0001555400000000, -0.0008317700000000, -0.0025259600000000 ] - [ 0.0002771100000000, -0.0004369100000000, -0.0004339700000000 ] - [ -0.0059237100000000, 0.0004922000000000, -0.0033045300000000 ] - [ -0.0008067900000000, 0.0004698300000000, 0.0115370200000000 ] - [ 0.0004455800000000, -0.0005706800000000, 0.0018320400000000 ] - [ -0.0004059700000000, -0.0000972700000000, 0.0008504700000000 ] - [ 0.0114188700000000, -0.0053668800000000, -0.0125320100000000 ] - [ 0.0001306300000000, 0.0005429800000000, 0.0029790800000000 ] - [ -0.0015880100000000, 0.0006130800000000, 0.0128994700000000 ] - [ -0.0008472000000000, -0.0003712700000000, 0.0030299300000000 ] - [ -0.0005320300000000, -0.0008248800000000, 0.0002576800000000 ] - [ 0.0001536200000000, 0.0001119800000000, 0.0000050300000000 ] - [ 0.0211149700000000, 0.0027597800000000, 0.0349386400000000 ] - [ 0.0001108200000000, -0.0007933800000000, 0.0001300900000000 ] - [ 0.0000342700000000, -0.0005773300000000, -0.0008878100000000 ] - [ -0.0005512900000000, 0.0003768700000000, 0.0000576000000000 ] - [ 0.0000558300000000, -0.0004007200000000, 0.0001707900000000 ] - [ 0.0005463400000000, -0.0009532900000000, -0.0005929700000000 ] - [ -0.0000618100000000, 0.0003171100000000, 0.0000149300000000 ] - [ 0.0001619400000000, -0.0004505100000000, 0.0000208100000000 ] - [ 0.0090173100000000, 0.0024921800000000, -0.0041354400000000 ] - [ -0.0042280600000000, -0.0096610500000000, -0.0056095300000000 ] - [ 0.0132663700000000, -0.0043572200000000, 0.0448693300000000 ] - [ 0.0001568500000000, 0.0000445200000000, 0.0003789300000000 ] - [ -0.0004958200000000, 0.0011676800000000, 0.0004660100000000 ] - [ 0.0020006700000000, 0.0004989400000000, 0.0011095600000000 ] - [ -0.0011175600000000, -0.0009507500000000, 0.0006391300000000 ] - [ -0.0000681500000000, 0.0003676200000000, 0.0017702300000000 ] - [ -0.0004661600000000, 0.0014630600000000, 0.0003387500000000 ] - [ 0.0008288700000000, 0.0010893400000000, 0.0000418600000000 ] - [ -0.0000982400000000, 0.0003966800000000, 0.0003287700000000 ] - [ 0.0005641600000000, 0.0012026000000000, -0.0008768100000000 ] - [ 0.0001470100000000, 0.0007716400000000, 0.0006853200000000 ] - [ 0.0001754300000000, 0.0003219900000000, -0.0000315000000000 ] - [ -0.0001917300000000, -0.0014437000000000, 0.0007411900000000 ] - [ -0.0002754000000000, 0.0000463500000000, 0.0002541700000000 ] - [ -0.0008089600000000, 0.0009868000000000, 0.0005108500000000 ] - [ -0.0001140800000000, -0.0000760000000000, 0.0000688900000000 ] - [ -0.0000817400000000, -0.0001706100000000, -0.0000116100000000 ] - [ 0.0001078100000000, -0.0002828400000000, -0.0001683500000000 ] - [ -0.0017592000000000, -0.0002796700000000, 0.0009685000000000 ] - [ -0.0023432400000000, 0.0027557200000000, -0.0030999600000000 ] - [ 0.0001860000000000, 0.0003038000000000, 0.0002953600000000 ] - [ 0.0000389100000000, 0.0010121300000000, 0.0014123300000000 ] - [ -0.0005595900000000, -0.0007008600000000, 0.0003124400000000 ] - [ 0.0000021200000000, 0.0002278600000000, 0.0001748000000000 ] - [ 0.0018748900000000, 0.0002569000000000, 0.0054240400000000 ] - [ 0.0008560800000000, -0.0010687100000000, -0.0011548500000000 ] - [ 0.0002168400000000, -0.0001294200000000, 0.0000003500000000 ] - [ -0.0005422800000000, 0.0005269700000000, -0.0001701900000000 ] - [ -0.0001904700000000, 0.0000406100000000, 0.0000963600000000 ] - [ 0.0003400900000000, -0.0003556200000000, -0.0003107100000000 ] - [ -0.0003325900000000, 0.0017232500000000, 0.0019835300000000 ] - [ -0.0001323300000000, 0.0005430300000000, 0.0004488000000000 ] - [ 0.0004937700000000, 0.0014314300000000, -0.0008244000000000 ] - [ 0.0010354500000000, 0.0002891800000000, -0.0035139100000000 ] - [ 0.0004575800000000, -0.0013434600000000, 0.0023724600000000 ] - [ -0.0019618100000000, -0.0017829100000000, -0.0004292700000000 ] - [ 0.0002863200000000, 0.0001580900000000, 0.0001461500000000 ] - [ 0.0001310300000000, -0.0006002800000000, -0.0000349600000000 ] - [ -0.0000866500000000, -0.0008755400000000, 0.0006986700000000 ] - [ -0.0005700100000000, 0.0002117100000000, 0.0015878600000000 ] - [ -0.0012962100000000, -0.0023655500000000, -0.0225957700000000 ] - [ -0.0004417100000000, -0.0010386600000000, 0.0006570800000000 ] - [ -0.0004124600000000, -0.0002819200000000, 0.0016655900000000 ] - [ -0.0007847200000000, -0.0004391700000000, 0.0013459300000000 ] - [ -0.0004348000000000, -0.0017143200000000, -0.0017585800000000 ] - [ -0.0202211300000000, 0.0113113300000000, -0.0043131400000000 ] - [ 0.0000077400000000, -0.0005930900000000, -0.0012148400000000 ] - [ 0.0008342200000000, 0.0010254000000000, -0.0009880900000000 ] - [ 0.0004221000000000, 0.0007741200000000, -0.0009357100000000 ] - [ -0.0001492300000000, -0.0004692600000000, -0.0004975800000000 ] - [ -0.0001395000000000, -0.0002266700000000, 0.0004796500000000 ] - [ 0.0002397600000000, 0.0000187600000000, 0.0000394000000000 ] - [ -0.0007900800000000, -0.0010707800000000, -0.0007564400000000 ] - [ -0.0000137400000000, 0.0004503200000000, -0.0000148800000000 ] - [ -0.0252891800000000, 0.0068556700000000, 0.0294031100000000 ] - [ 0.0001096200000000, 0.0001305200000000, -0.0000443000000000 ] - [ 0.0000341600000000, 0.0008262400000000, -0.0001242900000000 ] - [ 0.0001732400000000, -0.0005467000000000, -0.0002198600000000 ] - [ -0.0001109000000000, -0.0003036500000000, -0.0002980300000000 ] - [ 0.0047917000000000, 0.0007272600000000, 0.0113156900000000 ] - [ -0.0028180100000000, -0.0000969500000000, 0.0126914800000000 ] - [ -0.0001237100000000, -0.0001682100000000, -0.0001793500000000 ] - [ -0.0001860800000000, -0.0000650500000000, -0.0000331400000000 ] - [ 0.0000197200000000, 0.0000820600000000, 0.0002856500000000 ] - [ -0.0001230200000000, -0.0004421000000000, -0.0002554700000000 ] - [ 0.0006741400000000, -0.0007369700000000, -0.0031862700000000 ] - [ -0.0000394600000000, -0.0001759400000000, -0.0001559600000000 ] - [ -0.0008052800000000, 0.0005025200000000, 0.0007343500000000 ] - [ 0.0008473300000000, 0.0004184000000000, 0.0017233800000000 ] - [ 0.0004024600000000, 0.0004109100000000, 0.0001981600000000 ] - [ -0.0002689100000000, -0.0000071000000000, 0.0001435900000000 ] - [ 0.0008232300000000, 0.0005269800000000, -0.0006442400000000 ] - [ 0.0007336700000000, -0.0009890300000000, -0.0017026600000000 ] - [ -0.0006814700000000, 0.0005250800000000, -0.0014411700000000 ] - [ -0.0002143600000000, -0.0001082300000000, 0.0003770600000000 ] - [ 0.0008563300000000, 0.0027743400000000, -0.0002748700000000 ] - [ 0.0004686200000000, -0.0000110900000000, -0.0001222200000000 ] - [ -0.0014218200000000, 0.0032638600000000, -0.0200999500000000 ] - [ 0.0001282500000000, 0.0005587000000000, -0.0002857100000000 ] - [ -0.0022360500000000, -0.0010844300000000, -0.0022383800000000 ] - [ -0.0001553100000000, -0.0004775900000000, -0.0000123700000000 ] - [ -0.0028054900000000, 0.0001454700000000, 0.0000040400000000 ] - [ -0.0000207400000000, 0.0001087000000000, -0.0014369800000000 ] - [ -0.0005952400000000, 0.0000105900000000, -0.0001240900000000 ] - [ 0.0025878700000000, 0.0005421300000000, -0.0023272400000000 ] - [ 0.0008270700000000, -0.0009607400000000, -0.0012436700000000 ] - [ 0.0014857500000000, -0.0004680000000000, 0.0016446800000000 ] - [ -0.0004629300000000, -0.0002888300000000, -0.0002533100000000 ] - [ 0.0004722700000000, -0.0000060500000000, -0.0014926400000000 ] - [ 0.0001331300000000, -0.0000082100000000, -0.0000869900000000 ] - [ 0.0001417000000000, -0.0001686900000000, -0.0001341800000000 ] - [ 0.0000384900000000, 0.0006500600000000, -0.0008532200000000 ] - [ 0.0001760400000000, -0.0003151000000000, -0.0003407200000000 ] - [ 0.0004186700000000, 0.0007362400000000, 0.0004897100000000 ] - [ -0.0178451400000000, -0.0084207600000000, -0.0036559300000000 ] - [ -0.0051715300000000, -0.0006391500000000, 0.0125601900000000 ] - [ -0.0005113900000000, 0.0004553300000000, -0.0013220900000000 ] - [ -0.0160084100000000, -0.0028546500000000, 0.0310497200000000 ] - [ 0.0024088400000000, -0.0002775800000000, -0.0003420800000000 ] - [ 0.0012111900000000, -0.0002754400000000, -0.0016264900000000 ] - [ 0.0005682300000000, 0.0014238200000000, -0.0004215200000000 ] - [ -0.0001053000000000, 0.0006124500000000, -0.0001613200000000 ] - [ -0.0049525100000000, 0.0004368400000000, 0.0111165700000000 ] - [ 0.0009796900000000, -0.0018224700000000, 0.0003156200000000 ] - [ 0.0008250400000000, -0.0006626500000000, -0.0003460800000000 ] - [ -0.0008954600000000, 0.0009815000000000, -0.0004442600000000 ] - [ -0.0000530600000000, 0.0000016300000000, 0.0001609500000000 ] - [ 0.0000199400000000, 0.0001525300000000, 0.0000745500000000 ] - [ 0.0002075100000000, -0.0000624300000000, -0.0002199900000000 ] - [ 0.0015359500000000, 0.0000638700000000, -0.0018066200000000 ] - [ -0.0043323400000000, 0.0026317100000000, 0.0103205100000000 ] - [ -0.0005815100000000, -0.0015111900000000, -0.0009237400000000 ] - [ -0.0001980200000000, 0.0001693000000000, -0.0009944300000000 ] - [ -0.0002470100000000, -0.0000726500000000, -0.0003966300000000 ] - [ -0.0012506000000000, 0.0002705000000000, -0.0023130000000000 ] - [ 0.0002994400000000, -0.0000111400000000, -0.0001321500000000 ]- atom: 30 displacement: [ 0.0035230240541542, 0.0000000000000000, -0.0093588621911988 ] forces: - [ 0.0006125800000000, -0.0003552500000000, 0.0005858400000000 ] - [ -0.0000944900000000, 0.0001255000000000, -0.0001469200000000 ] - [ 0.0001154000000000, -0.0022485600000000, -0.0023531200000000 ] - [ 0.0033688600000000, 0.0018523300000000, -0.0032111700000000 ] - [ -0.0000036900000000, -0.0001227400000000, -0.0001912700000000 ] - [ 0.0000074400000000, -0.0004247400000000, 0.0001311100000000 ] - [ -0.0001111900000000, 0.0002167000000000, -0.0001720000000000 ] - [ 0.0073912800000000, 0.0045872300000000, -0.0001102500000000 ] - [ 0.0035097900000000, -0.0023903200000000, -0.0031655600000000 ] - [ -0.0000491100000000, 0.0005642100000000, 0.0003375500000000 ] - [ -0.0015731600000000, -0.0061741500000000, -0.0012747200000000 ] - [ 0.0005866600000000, 0.0002659300000000, 0.0002038100000000 ] - [ 0.0003086600000000, 0.0002156900000000, -0.0001795000000000 ] - [ -0.0017957100000000, 0.0055727200000000, -0.0012099600000000 ] - [ 0.0000180000000000, -0.0002526900000000, -0.0000740000000000 ] - [ -0.0004159900000000, -0.0004304200000000, -0.0001545000000000 ] - [ -0.0000107500000000, 0.0000419500000000, 0.0003040500000000 ] - [ -0.0005801500000000, 0.0026209700000000, -0.0026508700000000 ] - [ -0.0003978700000000, 0.0003863800000000, 0.0000129800000000 ] - [ -0.0024072600000000, -0.0013049800000000, -0.0020097400000000 ] - [ 0.0003276900000000, -0.0002322700000000, 0.0001290600000000 ] - [ -0.0000983000000000, -0.0001261400000000, -0.0000628700000000 ] - [ 0.0081081700000000, -0.0061451500000000, -0.0027817700000000 ] - [ -0.0018274200000000, 0.0009746800000000, -0.0015413100000000 ] - [ 0.0003912700000000, -0.0016416000000000, 0.0036833300000000 ] - [ -0.0000689200000000, 0.0021229700000000, 0.0027549500000000 ] - [ -0.0079595600000000, -0.0055545700000000, 0.0083953700000000 ] - [ 0.0004045500000000, -0.0017454800000000, 0.0019295000000000 ] - [ -0.0000144500000000, 0.0002809000000000, -0.0006142500000000 ] - [ -0.0567445800000000, 0.0065874700000000, 0.1466521400000000 ] - [ -0.0001661200000000, 0.0001298800000000, 0.0009162400000000 ] - [ 0.0001014200000000, 0.0001877300000000, 0.0004773800000000 ] - [ 0.0000400500000000, 0.0001971400000000, -0.0003529300000000 ] - [ -0.0002419100000000, 0.0002223900000000, -0.0009021400000000 ] - [ -0.0012426900000000, -0.0003848100000000, -0.0019980600000000 ] - [ 0.0010851800000000, -0.0003451500000000, -0.0030724900000000 ] - [ 0.0000431100000000, 0.0006365300000000, -0.0026597900000000 ] - [ 0.0001200900000000, -0.0007535000000000, 0.0003242800000000 ] - [ -0.0001968200000000, 0.0003792700000000, 0.0022361700000000 ] - [ 0.0001220700000000, 0.0002503400000000, 0.0003581200000000 ] - [ 0.0057737400000000, -0.0000960500000000, 0.0032260800000000 ] - [ 0.0013269700000000, -0.0001448600000000, -0.0106713400000000 ] - [ -0.0003289200000000, 0.0001876700000000, -0.0017491300000000 ] - [ 0.0000085700000000, 0.0002861800000000, -0.0007585500000000 ] - [ -0.0118600800000000, 0.0052158300000000, 0.0125149600000000 ] - [ 0.0002446700000000, 0.0004723900000000, -0.0036380200000000 ] - [ 0.0016615800000000, -0.0001356400000000, -0.0125758800000000 ] - [ 0.0006610100000000, 0.0000439600000000, -0.0021619300000000 ] - [ 0.0002122600000000, 0.0003618100000000, -0.0003135300000000 ] - [ -0.0000812000000000, 0.0002697400000000, 0.0001640200000000 ] - [ -0.0208282600000000, -0.0027185700000000, -0.0360658600000000 ] - [ 0.0001858300000000, 0.0006531000000000, 0.0004002700000000 ] - [ 0.0003793800000000, 0.0012436700000000, 0.0006539500000000 ] - [ 0.0001286600000000, 0.0002772700000000, 0.0001854400000000 ] - [ 0.0002597800000000, -0.0000823300000000, -0.0001177900000000 ] - [ -0.0002449800000000, 0.0001810300000000, 0.0001543400000000 ] - [ 0.0000938000000000, 0.0002894900000000, -0.0002313500000000 ] - [ 0.0002586700000000, -0.0002089000000000, -0.0002615700000000 ] - [ -0.0090481300000000, -0.0019539400000000, 0.0039878800000000 ] - [ 0.0040415800000000, 0.0090129300000000, 0.0058831700000000 ] - [ -0.0133700400000000, 0.0043593500000000, -0.0447929500000000 ] - [ 0.0001363400000000, 0.0000873600000000, 0.0001713400000000 ] - [ 0.0004658400000000, -0.0005418900000000, -0.0002486600000000 ] - [ -0.0024227300000000, -0.0011727800000000, -0.0008766800000000 ] - [ 0.0008312600000000, 0.0008200900000000, -0.0011655000000000 ] - [ 0.0003260300000000, -0.0006211400000000, -0.0018929600000000 ] - [ 0.0002190200000000, -0.0012136400000000, -0.0001842200000000 ] - [ -0.0005416300000000, -0.0003023400000000, -0.0005190000000000 ] - [ -0.0002014100000000, 0.0003849500000000, 0.0001310200000000 ] - [ -0.0003124700000000, -0.0009367500000000, 0.0007143200000000 ] - [ -0.0006029000000000, -0.0008520900000000, 0.0000248500000000 ] - [ 0.0001382300000000, 0.0001565700000000, 0.0000855400000000 ] - [ -0.0001135600000000, 0.0006664900000000, -0.0002985100000000 ] - [ -0.0001745300000000, 0.0000206300000000, 0.0004322200000000 ] - [ 0.0012543000000000, -0.0010560100000000, -0.0012175700000000 ] - [ -0.0001407700000000, -0.0001838500000000, 0.0000671700000000 ] - [ 0.0000105700000000, -0.0002248900000000, -0.0001570300000000 ] - [ -0.0000731500000000, -0.0003290000000000, -0.0000481300000000 ] - [ 0.0018308400000000, -0.0001289300000000, -0.0008008300000000 ] - [ 0.0021320900000000, -0.0022491400000000, 0.0030274600000000 ] - [ 0.0002864700000000, 0.0004940100000000, -0.0002290500000000 ] - [ -0.0001744400000000, -0.0010256200000000, -0.0005621300000000 ] - [ 0.0000099900000000, 0.0005289000000000, 0.0001697000000000 ] - [ -0.0002685100000000, 0.0005449500000000, -0.0004176700000000 ] - [ -0.0018426200000000, -0.0004194100000000, -0.0047592100000000 ] - [ -0.0003663500000000, 0.0011327100000000, 0.0013786300000000 ] - [ 0.0002694200000000, 0.0000243900000000, -0.0002490600000000 ] - [ -0.0000199100000000, -0.0004423200000000, -0.0000436700000000 ] - [ -0.0002018800000000, -0.0001082100000000, 0.0003228500000000 ] - [ 0.0001317500000000, -0.0004423200000000, 0.0003761000000000 ] - [ 0.0005647300000000, -0.0015911100000000, -0.0016835400000000 ] - [ -0.0001495600000000, 0.0005399600000000, -0.0001016000000000 ] - [ -0.0009797400000000, -0.0009306500000000, 0.0016516300000000 ] - [ -0.0004740300000000, -0.0003145100000000, 0.0040718900000000 ] - [ -0.0005961300000000, 0.0001462500000000, -0.0020277200000000 ] - [ 0.0021659400000000, 0.0005992800000000, 0.0000572000000000 ] - [ -0.0000681500000000, 0.0006332100000000, 0.0001085400000000 ] - [ 0.0000215500000000, -0.0005718500000000, -0.0003069300000000 ] - [ -0.0002995700000000, 0.0009486900000000, -0.0003071700000000 ] - [ 0.0001848500000000, 0.0006566400000000, -0.0016552900000000 ] - [ 0.0014059800000000, 0.0024006900000000, 0.0216893400000000 ] - [ -0.0001342000000000, 0.0010707700000000, -0.0012510700000000 ] - [ 0.0009824300000000, 0.0003175600000000, -0.0010705500000000 ] - [ 0.0005606200000000, -0.0006664700000000, -0.0009781800000000 ] - [ 0.0007075000000000, 0.0006201300000000, 0.0014088600000000 ] - [ 0.0198489900000000, -0.0111906600000000, 0.0048709000000000 ] - [ -0.0004945400000000, 0.0006710400000000, 0.0009940000000000 ] - [ -0.0003534700000000, -0.0005101300000000, 0.0001585100000000 ] - [ -0.0001866400000000, -0.0008553400000000, 0.0007457900000000 ] - [ -0.0001838800000000, 0.0010169000000000, 0.0010794000000000 ] - [ -0.0001931400000000, -0.0003187200000000, 0.0001102800000000 ] - [ 0.0003257900000000, -0.0001081400000000, 0.0001640400000000 ] - [ 0.0011176300000000, 0.0016030700000000, 0.0001840000000000 ] - [ 0.0000843600000000, -0.0003371400000000, 0.0006814300000000 ] - [ 0.0233546900000000, -0.0069483700000000, -0.0261210000000000 ] - [ 0.0001275100000000, -0.0000398800000000, -0.0001535800000000 ] - [ 0.0005416500000000, -0.0007379500000000, 0.0003443900000000 ] - [ 0.0001499800000000, 0.0006746000000000, 0.0005513600000000 ] - [ -0.0001623100000000, -0.0004683500000000, 0.0000556100000000 ] - [ -0.0043042300000000, -0.0008859100000000, -0.0110186800000000 ] - [ 0.0023080600000000, 0.0009449600000000, -0.0127573800000000 ] - [ -0.0001520900000000, -0.0000749600000000, 0.0005109400000000 ] - [ -0.0001407100000000, -0.0000775600000000, -0.0002996000000000 ] - [ 0.0001982300000000, 0.0002451500000000, -0.0001701300000000 ] - [ -0.0002629700000000, -0.0004241600000000, 0.0001968900000000 ] - [ -0.0008929100000000, 0.0006017500000000, 0.0029214600000000 ] - [ -0.0000286300000000, 0.0000526100000000, -0.0005069100000000 ] - [ 0.0005755200000000, -0.0003633600000000, -0.0010347700000000 ] - [ 0.0001063800000000, -0.0002761400000000, -0.0016052500000000 ] - [ 0.0005659600000000, 0.0001877700000000, -0.0003292400000000 ] - [ -0.0002170500000000, -0.0000633700000000, -0.0003558600000000 ] - [ -0.0010610100000000, -0.0006182300000000, 0.0008309300000000 ] - [ -0.0009531000000000, 0.0006474600000000, 0.0015860900000000 ] - [ 0.0008323800000000, 0.0006627400000000, 0.0011073700000000 ] - [ -0.0007318800000000, 0.0002579300000000, -0.0005022100000000 ] - [ -0.0005091000000000, -0.0016506500000000, -0.0000871100000000 ] - [ 0.0004746100000000, -0.0001330300000000, 0.0002456500000000 ] - [ 0.0018039000000000, -0.0033391300000000, 0.0197811800000000 ] - [ 0.0000908700000000, 0.0005679200000000, -0.0000819300000000 ] - [ 0.0013043100000000, 0.0009518700000000, 0.0021265000000000 ] - [ -0.0001202900000000, -0.0006039000000000, 0.0003610600000000 ] - [ 0.0022482900000000, -0.0002271000000000, -0.0001922100000000 ] - [ -0.0000487700000000, 0.0000232300000000, 0.0007746700000000 ] - [ 0.0000366300000000, 0.0001618100000000, 0.0005860000000000 ] - [ -0.0028092300000000, 0.0005880700000000, 0.0026979400000000 ] - [ -0.0003372300000000, 0.0010795900000000, 0.0009891500000000 ] - [ -0.0017041300000000, 0.0003252700000000, -0.0011965200000000 ] - [ -0.0005026800000000, -0.0003017300000000, 0.0003862600000000 ] - [ -0.0009412200000000, -0.0008076400000000, 0.0014292200000000 ] - [ 0.0000943600000000, -0.0001299300000000, 0.0003635300000000 ] - [ 0.0000900500000000, 0.0000364800000000, -0.0002935400000000 ] - [ 0.0001931700000000, -0.0005192100000000, 0.0004409800000000 ] - [ 0.0003045600000000, -0.0001949500000000, -0.0004991200000000 ] - [ -0.0000238400000000, 0.0001399400000000, -0.0004285500000000 ] - [ 0.0175399000000000, 0.0083965100000000, 0.0039431100000000 ] - [ 0.0049428900000000, 0.0007724900000000, -0.0122159500000000 ] - [ 0.0007852500000000, -0.0012451100000000, 0.0015702900000000 ] - [ 0.0171840200000000, 0.0030069700000000, -0.0338100400000000 ] - [ -0.0020901600000000, -0.0002740400000000, -0.0002682500000000 ] - [ -0.0009336000000000, 0.0000451400000000, 0.0013025200000000 ] - [ -0.0004372200000000, -0.0014437300000000, -0.0004413700000000 ] - [ -0.0000456500000000, 0.0005610800000000, 0.0004983400000000 ] - [ 0.0047093800000000, -0.0001754700000000, -0.0112412900000000 ] - [ -0.0005851500000000, 0.0018827700000000, -0.0007081300000000 ] - [ -0.0013091200000000, 0.0007670500000000, 0.0006032300000000 ] - [ 0.0006655500000000, -0.0008561900000000, 0.0008607000000000 ] - [ -0.0000785200000000, 0.0000183900000000, 0.0006644800000000 ] - [ 0.0002506400000000, 0.0000972200000000, -0.0004077000000000 ] - [ 0.0000119400000000, -0.0002641500000000, 0.0003377400000000 ] - [ -0.0005730400000000, -0.0006433200000000, 0.0016705100000000 ] - [ 0.0033106400000000, -0.0020816400000000, -0.0101804100000000 ] - [ 0.0011344100000000, 0.0013531300000000, 0.0004428000000000 ] - [ -0.0001260800000000, -0.0000225900000000, 0.0006646400000000 ] - [ -0.0003241400000000, 0.0000452300000000, -0.0001733000000000 ] - [ 0.0016338500000000, -0.0011300600000000, 0.0023709400000000 ] - [ 0.0002568500000000, 0.0001859100000000, -0.0003365100000000 ]- atom: 32 displacement: [ 0.0099999639143206, 0.0000000000000000, -0.0000268647033593 ] forces: - [ -0.0002909500000000, -0.0001284600000000, 0.0001409000000000 ] - [ -0.0003863500000000, 0.0002501100000000, -0.0013270700000000 ] - [ 0.0005942400000000, 0.0000387500000000, -0.0001997900000000 ] - [ 0.0000644300000000, -0.0002950800000000, 0.0001723400000000 ] - [ 0.0008147800000000, -0.0000205800000000, 0.0018057200000000 ] - [ -0.0048359400000000, -0.0008601900000000, -0.0001020700000000 ] - [ -0.0004263200000000, 0.0000807000000000, -0.0015313200000000 ] - [ 0.0003638900000000, 0.0005542500000000, 0.0002116600000000 ] - [ 0.0000454000000000, -0.0000970000000000, -0.0000109200000000 ] - [ 0.0019960600000000, -0.0001971000000000, -0.0003148300000000 ] - [ 0.0003399400000000, 0.0003989900000000, 0.0001697400000000 ] - [ -0.0003037800000000, -0.0003305100000000, 0.0000475100000000 ] - [ 0.0006968100000000, -0.0003414800000000, -0.0001512100000000 ] - [ 0.0002775600000000, -0.0000171100000000, -0.0000641700000000 ] - [ 0.0008830100000000, -0.0003119300000000, 0.0019534900000000 ] - [ 0.0000929900000000, 0.0001363300000000, -0.0001412200000000 ] - [ -0.0048839200000000, 0.0006404200000000, 0.0002578800000000 ] - [ -0.0001609800000000, -0.0002304600000000, -0.0002257800000000 ] - [ 0.0023600700000000, 0.0058587500000000, 0.0050593200000000 ] - [ 0.0000431500000000, 0.0002764900000000, -0.0000370100000000 ] - [ 0.0020464300000000, -0.0048783700000000, 0.0043142100000000 ] - [ 0.0019808000000000, 0.0006490100000000, -0.0005656700000000 ] - [ -0.0003187400000000, -0.0004188700000000, 0.0001730300000000 ] - [ 0.0000673800000000, 0.0000769300000000, 0.0000056900000000 ] - [ 0.0007112200000000, -0.0015174400000000, 0.0008510300000000 ] - [ 0.0003881900000000, 0.0010347600000000, 0.0006819500000000 ] - [ -0.0003754700000000, 0.0010372100000000, 0.0000134300000000 ] - [ 0.0087965600000000, -0.0133160100000000, 0.0014435700000000 ] - [ 0.0000295100000000, 0.0002627300000000, 0.0004692300000000 ] - [ 0.0007287800000000, 0.0001814600000000, -0.0002421900000000 ] - [ 0.0210536300000000, -0.0005451600000000, 0.0021458200000000 ] - [ -0.1642256200000000, -0.0033193900000000, 0.0041529100000000 ] - [ -0.0017621600000000, 0.0002929200000000, -0.0002099800000000 ] - [ -0.0001387500000000, 0.0001331800000000, 0.0002549400000000 ] - [ -0.0001676000000000, -0.0001278900000000, -0.0010155800000000 ] - [ 0.0001834900000000, -0.0001219600000000, 0.0000083100000000 ] - [ -0.0005863900000000, 0.0001940500000000, -0.0002828900000000 ] - [ 0.0037538200000000, 0.0161250200000000, -0.0122378100000000 ] - [ 0.0076093200000000, 0.0125549800000000, 0.0013634900000000 ] - [ 0.0019012800000000, -0.0171939200000000, -0.0106939000000000 ] - [ -0.0005941700000000, 0.0000590200000000, 0.0001279900000000 ] - [ 0.0002579800000000, 0.0001694300000000, 0.0003663600000000 ] - [ -0.0004763200000000, -0.0002077700000000, -0.0014145100000000 ] - [ -0.0015191700000000, 0.0004552900000000, -0.0006571700000000 ] - [ -0.0004022600000000, -0.0016780100000000, -0.0002725700000000 ] - [ -0.0007137200000000, 0.0002174800000000, -0.0003161400000000 ] - [ 0.0000550900000000, 0.0002394800000000, 0.0000769300000000 ] - [ -0.0000593400000000, -0.0001364900000000, 0.0017090800000000 ] - [ -0.0002179100000000, -0.0001870000000000, -0.0000195700000000 ] - [ 0.0055502300000000, -0.0000590300000000, 0.0003455600000000 ] - [ 0.0006365800000000, 0.0002242400000000, -0.0003192800000000 ] - [ -0.0001056900000000, 0.0005978500000000, 0.0032260400000000 ] - [ -0.0043174600000000, -0.0000832000000000, 0.0005487300000000 ] - [ -0.0031404200000000, -0.0017656300000000, 0.0023481100000000 ] - [ 0.0000160000000000, -0.0004420500000000, 0.0001068300000000 ] - [ 0.0002297200000000, -0.0010267800000000, -0.0011368300000000 ] - [ -0.0001803700000000, 0.0004848600000000, -0.0000471900000000 ] - [ -0.0000755500000000, -0.0002025400000000, -0.0004373900000000 ] - [ 0.0017677000000000, 0.0001992500000000, 0.0000231900000000 ] - [ 0.0000226400000000, -0.0003076000000000, 0.0001187600000000 ] - [ 0.0001935800000000, -0.0000847900000000, -0.0002871100000000 ] - [ 0.0045128000000000, 0.0025174500000000, 0.0002887000000000 ] - [ -0.0000378400000000, 0.0003263400000000, 0.0000879900000000 ] - [ -0.0002282400000000, -0.0003992100000000, 0.0000049700000000 ] - [ 0.0001868400000000, 0.0002096200000000, 0.0002607500000000 ] - [ -0.0000366200000000, 0.0000112800000000, -0.0001467300000000 ] - [ -0.0009752900000000, 0.0006467800000000, -0.0020545700000000 ] - [ -0.0001126700000000, 0.0002641500000000, -0.0002566100000000 ] - [ -0.0055683100000000, 0.0069782200000000, 0.0041612100000000 ] - [ 0.0002960300000000, 0.0009319200000000, -0.0009758600000000 ] - [ -0.0008288700000000, -0.0012183000000000, 0.0032887800000000 ] - [ 0.0429549100000000, -0.0186903300000000, -0.0062864900000000 ] - [ -0.0014599900000000, -0.0009786000000000, -0.0015432700000000 ] - [ 0.0049904200000000, -0.0020839900000000, 0.0016073900000000 ] - [ 0.0005706400000000, -0.0002978300000000, 0.0002414700000000 ] - [ -0.0053913400000000, -0.0086682300000000, 0.0036978800000000 ] - [ 0.0003407200000000, -0.0002473300000000, 0.0001300100000000 ] - [ 0.0409817000000000, 0.0220989100000000, -0.0053173400000000 ] - [ 0.0001157700000000, -0.0001964900000000, 0.0001408600000000 ] - [ -0.0000750700000000, 0.0002601900000000, -0.0000263700000000 ] - [ -0.0157429700000000, 0.0051015600000000, -0.0004261000000000 ] - [ -0.0003347800000000, -0.0018858300000000, -0.0033928500000000 ] - [ 0.0005663200000000, -0.0008579000000000, 0.0019463900000000 ] - [ 0.0141571500000000, -0.0012669500000000, -0.0013958400000000 ] - [ 0.0001748900000000, -0.0002533100000000, 0.0002044800000000 ] - [ -0.0000459500000000, 0.0000561800000000, -0.0002721100000000 ] - [ -0.0050625700000000, 0.0006581600000000, 0.0024792700000000 ] - [ 0.0005848500000000, 0.0009215700000000, 0.0012337200000000 ] - [ -0.0014746600000000, 0.0005028200000000, 0.0000705000000000 ] - [ 0.0002655400000000, -0.0001993500000000, -0.0003835300000000 ] - [ -0.0000573500000000, 0.0020415900000000, 0.0024401100000000 ] - [ 0.0125831200000000, 0.0020493300000000, -0.0016950300000000 ] - [ -0.0005398800000000, 0.0002257700000000, 0.0001433400000000 ] - [ 0.0003706800000000, -0.0000173900000000, 0.0003703200000000 ] - [ 0.0011599800000000, -0.0001304800000000, 0.0000657900000000 ] - [ -0.0056138700000000, -0.0006014600000000, -0.0001739300000000 ] - [ 0.0003168200000000, 0.0006233400000000, 0.0000810900000000 ] - [ 0.0125400200000000, 0.0005585000000000, -0.0014549000000000 ] - [ -0.0006627600000000, 0.0020721000000000, -0.0037917500000000 ] - [ 0.0029096100000000, -0.0021514500000000, -0.0001042000000000 ] - [ -0.0000346600000000, 0.0000391000000000, -0.0003492700000000 ] - [ -0.0006725900000000, -0.0020590200000000, 0.0023053900000000 ] - [ -0.0001448600000000, -0.0019959900000000, 0.0004968400000000 ] - [ -0.0019935500000000, -0.0005154200000000, 0.0000784100000000 ] - [ 0.0001666400000000, -0.0005508700000000, -0.0000624300000000 ] - [ -0.0004901500000000, 0.0003571600000000, 0.0001995800000000 ] - [ -0.0008022900000000, 0.0002081100000000, -0.0016511100000000 ] - [ -0.0003280600000000, 0.0002248400000000, -0.0016723800000000 ] - [ 0.0009578300000000, -0.0005953200000000, -0.0010407000000000 ] - [ -0.0001161900000000, 0.0001620600000000, 0.0015851000000000 ] - [ 0.0115157300000000, 0.0021651400000000, 0.0048078000000000 ] - [ 0.0051767500000000, -0.0023622200000000, 0.0026081200000000 ] - [ -0.0000165100000000, -0.0002927200000000, 0.0004504800000000 ] - [ 0.0001579700000000, -0.0000633600000000, 0.0005019900000000 ] - [ -0.0005097200000000, -0.0002677900000000, 0.0003153900000000 ] - [ -0.0048572400000000, 0.0001025600000000, 0.0028909800000000 ] - [ 0.0014758900000000, 0.0004511300000000, 0.0005932800000000 ] - [ 0.0002282900000000, 0.0000800900000000, 0.0002970500000000 ] - [ 0.0000540500000000, -0.0002830300000000, 0.0000557500000000 ] - [ 0.0001980200000000, 0.0000698600000000, 0.0000992600000000 ] - [ -0.0004285900000000, 0.0005806000000000, -0.0000811900000000 ] - [ -0.0003478300000000, -0.0001710500000000, 0.0000473000000000 ] - [ 0.0052392500000000, -0.0002363000000000, 0.0016384900000000 ] - [ -0.0142808600000000, -0.0058434300000000, 0.0003993100000000 ] - [ 0.0001951100000000, -0.0003054000000000, 0.0001554100000000 ] - [ 0.0000331500000000, -0.0000795600000000, -0.0000941800000000 ] - [ 0.0212189900000000, 0.0025962200000000, -0.0002031500000000 ] - [ -0.0004694700000000, 0.0015718100000000, 0.0002122200000000 ] - [ 0.0036938800000000, 0.0033946800000000, -0.0000288600000000 ] - [ -0.0048851600000000, -0.0021483200000000, -0.0008980700000000 ] - [ -0.0051515300000000, 0.0002542800000000, -0.0032588900000000 ] - [ 0.0001870300000000, -0.0005429200000000, -0.0003937800000000 ] - [ -0.0001033100000000, -0.0001774100000000, -0.0001071400000000 ] - [ 0.0001432100000000, 0.0006840300000000, 0.0000597600000000 ] - [ 0.0011261400000000, 0.0004881000000000, 0.0000572200000000 ] - [ 0.0003154100000000, 0.0003532000000000, -0.0002095400000000 ] - [ 0.0007753700000000, -0.0002515600000000, 0.0003242700000000 ] - [ 0.0000742500000000, -0.0000841700000000, -0.0001004700000000 ] - [ -0.0002941500000000, 0.0005853200000000, -0.0005307600000000 ] - [ -0.0004142800000000, -0.0000343600000000, 0.0000078800000000 ] - [ 0.0001333100000000, -0.0006501600000000, 0.0004281800000000 ] - [ 0.0000095600000000, 0.0001782800000000, 0.0000865600000000 ] - [ 0.0001121800000000, 0.0002177500000000, -0.0002568100000000 ] - [ 0.0001832000000000, -0.0000735600000000, 0.0004007100000000 ] - [ -0.0001443100000000, 0.0005577000000000, 0.0001888000000000 ] - [ 0.0013418400000000, 0.0008186400000000, -0.0009268600000000 ] - [ 0.0000307600000000, -0.0000112200000000, 0.0001589800000000 ] - [ -0.0006469200000000, -0.0001701500000000, -0.0000482700000000 ] - [ -0.0002107100000000, -0.0004242600000000, -0.0000977800000000 ] - [ 0.0008611800000000, -0.0017022700000000, -0.0016344300000000 ] - [ 0.0104620900000000, -0.0007980500000000, 0.0000552900000000 ] - [ 0.0002365200000000, 0.0003359100000000, 0.0011353300000000 ] - [ -0.0047007100000000, -0.0010279300000000, -0.0017387200000000 ] - [ 0.0038831900000000, -0.0000013500000000, -0.0021993100000000 ] - [ -0.0006575700000000, -0.0004085400000000, 0.0003169400000000 ] - [ -0.0016134700000000, 0.0007181500000000, 0.0001265200000000 ] - [ 0.0001678900000000, -0.0004193100000000, 0.0002248800000000 ] - [ -0.0000232800000000, -0.0000126300000000, -0.0000337800000000 ] - [ 0.0003066600000000, -0.0002850000000000, -0.0003355600000000 ] - [ 0.0001023500000000, -0.0001580100000000, -0.0002661200000000 ] - [ 0.0000190000000000, -0.0005367900000000, -0.0007917300000000 ] - [ 0.0000276200000000, 0.0005469800000000, 0.0005297700000000 ] - [ -0.0002872400000000, -0.0000470900000000, -0.0001242200000000 ] - [ 0.0001290800000000, 0.0004278800000000, -0.0006231000000000 ] - [ 0.0003423500000000, 0.0005231500000000, -0.0005388100000000 ] - [ -0.0002499900000000, 0.0004768900000000, 0.0010433000000000 ] - [ -0.0011313200000000, -0.0006281700000000, 0.0008054800000000 ] - [ -0.0047326500000000, 0.0031560900000000, -0.0005437600000000 ] - [ 0.0001761100000000, -0.0003704200000000, -0.0003593100000000 ] - [ 0.0004320900000000, -0.0002790100000000, -0.0001592600000000 ] - [ -0.0019799500000000, -0.0005076900000000, 0.0000348800000000 ] - [ 0.0012003500000000, -0.0007702900000000, 0.0005363300000000 ] - [ -0.0000235200000000, -0.0000693500000000, -0.0001181200000000 ] - [ 0.0000958700000000, 0.0021997700000000, -0.0023435000000000 ] - [ 0.0002349100000000, -0.0004083800000000, 0.0000905300000000 ] - [ 0.0071048600000000, 0.0022089000000000, 0.0037914600000000 ]- atom: 32 displacement: [ -0.0099999639143206, 0.0000000000000000, 0.0000268647033593 ] forces: - [ 0.0004817900000000, -0.0000799800000000, 0.0000390100000000 ] - [ 0.0002491800000000, 0.0001860500000000, 0.0012685000000000 ] - [ 0.0000216000000000, -0.0000472700000000, 0.0000526000000000 ] - [ 0.0000273500000000, -0.0003680100000000, 0.0001078500000000 ] - [ -0.0009129400000000, -0.0006439100000000, -0.0020757100000000 ] - [ 0.0046507600000000, 0.0006030900000000, -0.0000751600000000 ] - [ 0.0002413100000000, 0.0001316300000000, 0.0013531900000000 ] - [ 0.0005036400000000, -0.0002157600000000, 0.0000058800000000 ] - [ 0.0000135700000000, -0.0000051800000000, -0.0001034600000000 ] - [ -0.0020567300000000, 0.0003070100000000, 0.0004375400000000 ] - [ -0.0002493100000000, 0.0002659200000000, 0.0001102800000000 ] - [ 0.0004334300000000, -0.0000977700000000, 0.0000128900000000 ] - [ 0.0001694700000000, 0.0000030000000000, 0.0003667000000000 ] - [ -0.0002190700000000, 0.0001218100000000, -0.0000501900000000 ] - [ -0.0009284600000000, 0.0002049000000000, -0.0018457400000000 ] - [ -0.0007097200000000, -0.0001489900000000, 0.0002913100000000 ] - [ 0.0047541600000000, -0.0011092700000000, -0.0003272300000000 ] - [ -0.0007071000000000, -0.0001040700000000, 0.0000100700000000 ] - [ -0.0032105100000000, -0.0055668200000000, -0.0053188100000000 ] - [ 0.0000839300000000, 0.0001634700000000, 0.0000938600000000 ] - [ -0.0014457100000000, 0.0048475400000000, -0.0044344800000000 ] - [ -0.0020710900000000, 0.0000203600000000, 0.0002768300000000 ] - [ -0.0002972000000000, 0.0004308600000000, -0.0000277600000000 ] - [ 0.0001220500000000, 0.0001391500000000, 0.0001799800000000 ] - [ -0.0002239600000000, 0.0012084700000000, 0.0000657300000000 ] - [ -0.0002940000000000, -0.0015057500000000, -0.0003978600000000 ] - [ 0.0000027500000000, -0.0020544900000000, 0.0006487800000000 ] - [ -0.0093441100000000, 0.0130574700000000, -0.0023704900000000 ] - [ -0.0000970300000000, 0.0002052200000000, -0.0007716400000000 ] - [ -0.0005433000000000, 0.0001400900000000, -0.0006306900000000 ] - [ -0.0212192000000000, 0.0008178000000000, -0.0012863500000000 ] - [ 0.1651637400000000, 0.0027046300000000, -0.0045471800000000 ] - [ 0.0013903900000000, 0.0007424400000000, 0.0008673000000000 ] - [ -0.0003865500000000, 0.0001797900000000, -0.0011422400000000 ] - [ 0.0000504700000000, -0.0002442600000000, 0.0009325100000000 ] - [ 0.0000032200000000, -0.0001890600000000, -0.0008765800000000 ] - [ 0.0009837000000000, -0.0000064700000000, 0.0001993100000000 ] - [ -0.0033602600000000, -0.0172627000000000, 0.0116346600000000 ] - [ -0.0076656700000000, -0.0129766300000000, -0.0016498800000000 ] - [ -0.0016006300000000, 0.0168702600000000, 0.0105535000000000 ] - [ 0.0004790400000000, 0.0003262100000000, -0.0002179000000000 ] - [ 0.0002655800000000, 0.0001541100000000, 0.0005541700000000 ] - [ 0.0005911700000000, -0.0001697400000000, 0.0015054400000000 ] - [ 0.0011211400000000, -0.0002550800000000, 0.0007632000000000 ] - [ 0.0000053800000000, 0.0015026900000000, 0.0003610900000000 ] - [ 0.0010849000000000, 0.0008082800000000, -0.0003479200000000 ] - [ 0.0000142000000000, 0.0002379400000000, 0.0002128900000000 ] - [ -0.0001265000000000, -0.0001788700000000, -0.0008351200000000 ] - [ -0.0000986300000000, -0.0002870700000000, -0.0000342000000000 ] - [ -0.0054806300000000, 0.0004393000000000, -0.0001771500000000 ] - [ -0.0001836900000000, -0.0001528500000000, -0.0003751600000000 ] - [ 0.0003960600000000, -0.0007282000000000, -0.0026717700000000 ] - [ 0.0047392200000000, 0.0007509800000000, -0.0007858800000000 ] - [ 0.0027729500000000, 0.0026108500000000, -0.0022201400000000 ] - [ 0.0002993000000000, -0.0000388700000000, -0.0000509600000000 ] - [ 0.0000610400000000, 0.0002543200000000, 0.0006830600000000 ] - [ 0.0002132300000000, 0.0001243000000000, -0.0001702100000000 ] - [ 0.0004923100000000, -0.0004602400000000, 0.0002002800000000 ] - [ -0.0018399300000000, 0.0002097700000000, -0.0001916000000000 ] - [ -0.0000515700000000, -0.0002989000000000, 0.0000970100000000 ] - [ -0.0004892900000000, 0.0002196400000000, -0.0002544700000000 ] - [ -0.0042267200000000, -0.0023853900000000, 0.0002320800000000 ] - [ 0.0000046900000000, 0.0002891400000000, 0.0001287400000000 ] - [ -0.0001922100000000, -0.0002603400000000, 0.0002349200000000 ] - [ -0.0004746200000000, -0.0003400800000000, -0.0008059700000000 ] - [ 0.0002878900000000, -0.0002665100000000, 0.0000062700000000 ] - [ 0.0007171600000000, -0.0003851600000000, 0.0021887500000000 ] - [ 0.0004149700000000, 0.0005195800000000, -0.0002008500000000 ] - [ 0.0052499500000000, -0.0061290700000000, -0.0035735900000000 ] - [ -0.0000418100000000, -0.0006727600000000, 0.0008371200000000 ] - [ 0.0003851900000000, 0.0011531900000000, -0.0026050300000000 ] - [ -0.0432423800000000, 0.0194775100000000, 0.0065139800000000 ] - [ 0.0011657000000000, 0.0001996800000000, 0.0020033700000000 ] - [ -0.0054362000000000, 0.0021551800000000, -0.0008863100000000 ] - [ -0.0001206100000000, 0.0002260700000000, -0.0009400200000000 ] - [ 0.0051132100000000, 0.0084183000000000, -0.0036157700000000 ] - [ -0.0004103000000000, -0.0001512800000000, -0.0002976900000000 ] - [ -0.0403566400000000, -0.0223193400000000, 0.0049976400000000 ] - [ -0.0000433900000000, -0.0001979100000000, 0.0000277300000000 ] - [ -0.0002443900000000, 0.0002229000000000, -0.0000269200000000 ] - [ 0.0162445100000000, -0.0043321500000000, 0.0004851900000000 ] - [ 0.0002038400000000, 0.0018583300000000, 0.0042147200000000 ] - [ -0.0011288600000000, 0.0006884600000000, -0.0014787300000000 ] - [ -0.0152581000000000, 0.0027854700000000, 0.0013151100000000 ] - [ -0.0001065800000000, 0.0001238000000000, 0.0004586000000000 ] - [ 0.0005329900000000, 0.0000149200000000, 0.0004884800000000 ] - [ 0.0055503100000000, -0.0007542700000000, -0.0027426800000000 ] - [ -0.0011315600000000, -0.0008411500000000, -0.0014439400000000 ] - [ 0.0010845800000000, -0.0005753400000000, 0.0003179800000000 ] - [ 0.0002079500000000, -0.0005982800000000, 0.0004454700000000 ] - [ 0.0002830600000000, -0.0019106400000000, -0.0021666900000000 ] - [ -0.0121830600000000, -0.0003237000000000, 0.0019437500000000 ] - [ 0.0000547000000000, 0.0002833700000000, 0.0006901100000000 ] - [ 0.0002000600000000, -0.0000119700000000, 0.0002015900000000 ] - [ -0.0013122800000000, -0.0010572200000000, 0.0002709000000000 ] - [ 0.0058316700000000, -0.0005390700000000, -0.0001930900000000 ] - [ -0.0000451200000000, 0.0001444800000000, 0.0001626800000000 ] - [ -0.0123890400000000, -0.0018195900000000, 0.0011193600000000 ] - [ 0.0002684500000000, -0.0020117900000000, 0.0042199200000000 ] - [ -0.0032936900000000, 0.0030082300000000, 0.0000476200000000 ] - [ 0.0001667600000000, -0.0000219700000000, -0.0004853600000000 ] - [ 0.0001037800000000, 0.0020789900000000, -0.0028694800000000 ] - [ 0.0007119700000000, 0.0020350300000000, 0.0000776600000000 ] - [ 0.0017763400000000, -0.0005942800000000, 0.0002904500000000 ] - [ 0.0001074800000000, -0.0005356100000000, -0.0002860900000000 ] - [ 0.0002541200000000, -0.0002693800000000, -0.0000059600000000 ] - [ 0.0003163500000000, -0.0001374200000000, 0.0014408100000000 ] - [ 0.0008105900000000, 0.0002843900000000, 0.0008306700000000 ] - [ -0.0007175400000000, 0.0005032000000000, 0.0008430000000000 ] - [ -0.0002133800000000, 0.0003820800000000, -0.0009953500000000 ] - [ -0.0119515400000000, -0.0027174600000000, -0.0043015200000000 ] - [ -0.0045575800000000, 0.0022501000000000, -0.0024084400000000 ] - [ 0.0003484700000000, 0.0008337300000000, -0.0010369700000000 ] - [ -0.0000896700000000, 0.0001851600000000, 0.0001622300000000 ] - [ 0.0000300300000000, -0.0002450800000000, 0.0005217500000000 ] - [ 0.0050987800000000, 0.0000060600000000, -0.0030720700000000 ] - [ -0.0009140400000000, -0.0003630300000000, -0.0003886100000000 ] - [ 0.0000967700000000, 0.0000549100000000, 0.0000325000000000 ] - [ -0.0003244500000000, -0.0004886800000000, -0.0003033700000000 ] - [ 0.0001276300000000, -0.0002173800000000, 0.0002336100000000 ] - [ -0.0000431300000000, 0.0002164000000000, 0.0000157700000000 ] - [ 0.0000697400000000, -0.0000702500000000, 0.0002793200000000 ] - [ -0.0041384300000000, -0.0001511100000000, -0.0021177100000000 ] - [ 0.0144692900000000, 0.0061323700000000, -0.0002754300000000 ] - [ -0.0005783800000000, -0.0005575300000000, -0.0002143400000000 ] - [ -0.0002656100000000, -0.0000599500000000, -0.0001886300000000 ] - [ -0.0232160600000000, -0.0032203000000000, 0.0000135600000000 ] - [ 0.0002470100000000, -0.0014315000000000, -0.0004963000000000 ] - [ -0.0027570800000000, -0.0032653400000000, 0.0001529900000000 ] - [ 0.0058602600000000, 0.0027557000000000, 0.0007659000000000 ] - [ 0.0046506100000000, -0.0003188800000000, 0.0030175400000000 ] - [ -0.0004298700000000, 0.0004508800000000, 0.0005857700000000 ] - [ -0.0001124000000000, -0.0001558600000000, -0.0000108600000000 ] - [ 0.0000088600000000, 0.0004915900000000, -0.0003999900000000 ] - [ -0.0019832600000000, -0.0004304400000000, -0.0001440000000000 ] - [ -0.0000408400000000, 0.0007265100000000, -0.0001381400000000 ] - [ 0.0001696000000000, 0.0001095200000000, -0.0002088800000000 ] - [ 0.0003175400000000, 0.0000156600000000, -0.0003144200000000 ] - [ 0.0005107600000000, 0.0005444100000000, 0.0001608000000000 ] - [ -0.0005239900000000, -0.0001069400000000, -0.0001308700000000 ] - [ -0.0004102000000000, -0.0004330800000000, -0.0000794700000000 ] - [ -0.0005764700000000, -0.0002701400000000, -0.0002949700000000 ] - [ -0.0001797900000000, -0.0000914100000000, -0.0004072000000000 ] - [ -0.0007342200000000, 0.0002420500000000, 0.0000737000000000 ] - [ -0.0000746700000000, 0.0005642000000000, 0.0001789200000000 ] - [ -0.0008605200000000, -0.0007144500000000, 0.0006770000000000 ] - [ -0.0002644200000000, -0.0001273900000000, 0.0002682100000000 ] - [ -0.0003205200000000, -0.0004176800000000, 0.0001821100000000 ] - [ -0.0002628900000000, -0.0003798800000000, 0.0000323100000000 ] - [ -0.0006447200000000, 0.0015465000000000, 0.0018611500000000 ] - [ -0.0102460800000000, 0.0006465000000000, -0.0003869900000000 ] - [ -0.0000065900000000, -0.0002043200000000, -0.0015648500000000 ] - [ 0.0051986000000000, 0.0005255600000000, 0.0009289400000000 ] - [ -0.0035749800000000, 0.0008324700000000, 0.0022924600000000 ] - [ 0.0001675600000000, 0.0002993700000000, -0.0000629400000000 ] - [ 0.0013341200000000, -0.0004838300000000, 0.0002054300000000 ] - [ 0.0001026600000000, -0.0003603200000000, 0.0000179100000000 ] - [ 0.0005111000000000, -0.0000593000000000, 0.0002521900000000 ] - [ 0.0000246400000000, -0.0002607300000000, -0.0002495500000000 ] - [ 0.0001731900000000, -0.0000840300000000, -0.0000659900000000 ] - [ 0.0001077100000000, 0.0005187800000000, -0.0000415300000000 ] - [ -0.0001759000000000, 0.0006299800000000, -0.0001950800000000 ] - [ 0.0000684900000000, 0.0003752800000000, 0.0000078100000000 ] - [ 0.0002679600000000, -0.0003614000000000, 0.0002143600000000 ] - [ -0.0008254400000000, -0.0004152600000000, 0.0007905400000000 ] - [ 0.0000195200000000, -0.0003462800000000, -0.0006209200000000 ] - [ 0.0009997100000000, 0.0006452300000000, 0.0000458700000000 ] - [ 0.0050020500000000, -0.0028919900000000, 0.0002157600000000 ] - [ 0.0000424100000000, 0.0000409900000000, 0.0004764900000000 ] - [ 0.0005329600000000, -0.0003099200000000, 0.0000270600000000 ] - [ 0.0010183200000000, 0.0010899500000000, 0.0000972800000000 ] - [ -0.0006449300000000, 0.0005970000000000, -0.0010068800000000 ] - [ -0.0003019800000000, 0.0002112000000000, -0.0002143500000000 ] - [ -0.0006521600000000, -0.0022310000000000, 0.0017928900000000 ] - [ 0.0001518000000000, -0.0004587100000000, -0.0000309400000000 ] - [ -0.0065943600000000, -0.0020410200000000, -0.0042445900000000 ]- atom: 32 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000963300000000, 0.0017896100000000, -0.0009625700000000 ] - [ -0.0000497800000000, -0.0013535700000000, -0.0002531100000000 ] - [ 0.0003224800000000, 0.0005055500000000, -0.0003496700000000 ] - [ 0.0000465900000000, 0.0005971500000000, 0.0002422100000000 ] - [ 0.0003817900000000, -0.0016665600000000, 0.0008349000000000 ] - [ -0.0012891700000000, 0.0080213500000000, -0.0077923300000000 ] - [ -0.0001593600000000, -0.0014633200000000, 0.0001065800000000 ] - [ 0.0005718600000000, 0.0013632600000000, 0.0003422200000000 ] - [ 0.0000426500000000, 0.0008894500000000, -0.0001692600000000 ] - [ -0.0001745900000000, -0.0006834900000000, 0.0009268400000000 ] - [ 0.0000694800000000, 0.0011646700000000, -0.0000411700000000 ] - [ 0.0003821400000000, 0.0021095800000000, 0.0008713000000000 ] - [ 0.0002842800000000, -0.0004351200000000, 0.0004786200000000 ] - [ -0.0001083300000000, 0.0010128900000000, 0.0001319900000000 ] - [ -0.0003726600000000, -0.0015387700000000, -0.0008530400000000 ] - [ -0.0001939000000000, -0.0002947900000000, -0.0001546900000000 ] - [ 0.0005321600000000, 0.0073277700000000, 0.0078768000000000 ] - [ -0.0004507200000000, 0.0003289600000000, 0.0001976500000000 ] - [ 0.0052538700000000, 0.0003276100000000, 0.0039890000000000 ] - [ 0.0000205900000000, 0.0011428600000000, 0.0000900300000000 ] - [ -0.0039677100000000, 0.0000668300000000, -0.0036706300000000 ] - [ 0.0000809700000000, -0.0004035600000000, -0.0009866000000000 ] - [ -0.0004764200000000, 0.0012342200000000, -0.0001422000000000 ] - [ 0.0000590700000000, 0.0010860600000000, 0.0000971900000000 ] - [ -0.0043971100000000, 0.0049055700000000, -0.0001834400000000 ] - [ 0.0040799000000000, 0.0043282900000000, 0.0000235100000000 ] - [ 0.0003747300000000, 0.0035574600000000, -0.0006368000000000 ] - [ -0.0091315500000000, 0.0078026700000000, -0.0010620600000000 ] - [ -0.0000882500000000, -0.0024550600000000, -0.0003731100000000 ] - [ 0.0000751100000000, 0.0040496800000000, -0.0004429600000000 ] - [ -0.0006485000000000, -0.0082902500000000, -0.0000798800000000 ] - [ -0.0031222300000000, -0.1670721200000000, -0.0181600200000000 ] - [ -0.0007637300000000, 0.0006840000000000, -0.0029390600000000 ] - [ -0.0001646200000000, -0.0025185400000000, -0.0001507400000000 ] - [ 0.0000005800000000, 0.0009516400000000, 0.0002905000000000 ] - [ 0.0001064100000000, 0.0005023700000000, -0.0000265100000000 ] - [ 0.0001161600000000, 0.0020975600000000, 0.0013008700000000 ] - [ 0.0106472500000000, -0.0003966000000000, -0.0072390600000000 ] - [ 0.0082547800000000, 0.0080841700000000, 0.0002284900000000 ] - [ -0.0190065700000000, 0.0007326800000000, 0.0104824800000000 ] - [ 0.0000737500000000, 0.0045782400000000, -0.0004656900000000 ] - [ 0.0001568300000000, 0.0024148400000000, 0.0005218500000000 ] - [ 0.0000781800000000, -0.0009439300000000, 0.0002131600000000 ] - [ 0.0003931600000000, -0.0008611900000000, 0.0034414700000000 ] - [ -0.0009227800000000, 0.0040246000000000, 0.0010707900000000 ] - [ 0.0005095200000000, 0.0025047500000000, -0.0016720400000000 ] - [ 0.0001497300000000, 0.0024748600000000, 0.0000917700000000 ] - [ -0.0001307700000000, -0.0004635400000000, 0.0006390000000000 ] - [ -0.0002723800000000, 0.0010265600000000, -0.0001095300000000 ] - [ -0.0000845600000000, 0.0007288200000000, 0.0000626900000000 ] - [ 0.0011207200000000, 0.0009854700000000, -0.0008124000000000 ] - [ 0.0003144100000000, 0.0004576700000000, 0.0035472700000000 ] - [ 0.0004475600000000, 0.0046327900000000, 0.0012089600000000 ] - [ 0.0009356600000000, 0.0336618800000000, -0.0084396100000000 ] - [ 0.0002979600000000, -0.0012928600000000, -0.0001660500000000 ] - [ -0.0008026100000000, 0.0015420800000000, 0.0016360800000000 ] - [ -0.0001251600000000, -0.0008421000000000, 0.0000392900000000 ] - [ 0.0002989700000000, -0.0013699800000000, 0.0001480500000000 ] - [ 0.0000712700000000, 0.0024983600000000, -0.0000739100000000 ] - [ 0.0003696500000000, 0.0026111000000000, 0.0000488500000000 ] - [ -0.0009670900000000, 0.0008503900000000, 0.0002237800000000 ] - [ -0.0017262600000000, -0.0013923500000000, 0.0010150000000000 ] - [ 0.0000158800000000, 0.0016105300000000, 0.0001602100000000 ] - [ -0.0001410400000000, 0.0007556600000000, 0.0003429500000000 ] - [ 0.0007092700000000, 0.0003700500000000, 0.0010715200000000 ] - [ -0.0007504000000000, 0.0018742200000000, 0.0003202600000000 ] - [ -0.0004498800000000, 0.0003635000000000, -0.0024666900000000 ] - [ 0.0010391800000000, 0.0018149300000000, -0.0009023900000000 ] - [ 0.0042085800000000, -0.0063130200000000, -0.0002225100000000 ] - [ 0.0003713300000000, 0.0011855300000000, -0.0015592900000000 ] - [ -0.0003268200000000, 0.0007541200000000, -0.0027259000000000 ] - [ -0.0181523800000000, -0.0318912500000000, 0.0048694100000000 ] - [ -0.0001379500000000, -0.0006951100000000, 0.0023050400000000 ] - [ 0.0017372700000000, -0.0015964000000000, 0.0001465100000000 ] - [ -0.0006135700000000, 0.0002456600000000, -0.0016189000000000 ] - [ -0.0063910900000000, -0.0118219600000000, -0.0015024400000000 ] - [ -0.0000534200000000, -0.0017007900000000, -0.0000512500000000 ] - [ 0.0241174600000000, -0.0288445200000000, -0.0034354000000000 ] - [ 0.0000753800000000, 0.0012270200000000, 0.0000845600000000 ] - [ -0.0002749100000000, 0.0032617200000000, 0.0002210800000000 ] - [ 0.0075356500000000, 0.0088526300000000, -0.0010701500000000 ] - [ -0.0010936900000000, -0.0015583600000000, -0.0030541900000000 ] - [ -0.0008146800000000, -0.0007409000000000, 0.0012489800000000 ] - [ -0.0005738500000000, 0.0284535200000000, 0.0008612200000000 ] - [ -0.0001510800000000, -0.0031361200000000, -0.0000962900000000 ] - [ 0.0007944300000000, -0.0003097300000000, 0.0010462500000000 ] - [ -0.0026287700000000, 0.0022670700000000, 0.0012320000000000 ] - [ 0.0004736700000000, -0.0011229600000000, -0.0025205300000000 ] - [ -0.0007315900000000, 0.0012467700000000, 0.0006653500000000 ] - [ 0.0000115100000000, 0.0006968500000000, 0.0001922000000000 ] - [ 0.0004138100000000, -0.0012768400000000, -0.0019636500000000 ] - [ 0.0004952600000000, 0.0293948000000000, 0.0005270000000000 ] - [ -0.0008131100000000, -0.0002919700000000, -0.0005137300000000 ] - [ 0.0005247700000000, -0.0011985800000000, 0.0004340400000000 ] - [ -0.0000632500000000, -0.0046650700000000, -0.0005584700000000 ] - [ 0.0001975300000000, -0.0020719300000000, -0.0001490100000000 ] - [ 0.0002681800000000, -0.0030005900000000, 0.0000292500000000 ] - [ 0.0029726500000000, 0.0481316300000000, 0.0135782200000000 ] - [ 0.0007615500000000, -0.0013390400000000, 0.0036242400000000 ] - [ -0.0003292300000000, -0.0031908900000000, 0.0002295000000000 ] - [ 0.0002154900000000, -0.0007741600000000, -0.0008173800000000 ] - [ -0.0008679800000000, -0.0016818400000000, 0.0023771700000000 ] - [ -0.0006500500000000, -0.0007752600000000, 0.0018882800000000 ] - [ -0.0000577000000000, -0.0007888800000000, 0.0002964200000000 ] - [ -0.0000200500000000, -0.0018794200000000, -0.0002632600000000 ] - [ 0.0008107000000000, -0.0013280900000000, -0.0003105200000000 ] - [ 0.0002804300000000, 0.0002059600000000, 0.0016831000000000 ] - [ -0.0002385700000000, 0.0006117600000000, -0.0020027300000000 ] - [ 0.0004849300000000, -0.0011089300000000, -0.0016035000000000 ] - [ -0.0002669800000000, 0.0008757000000000, 0.0016125800000000 ] - [ 0.0012116400000000, 0.0115485300000000, 0.0022663300000000 ] - [ -0.0020209700000000, 0.0050751800000000, -0.0038042000000000 ] - [ -0.0000325400000000, -0.0009492600000000, 0.0006170500000000 ] - [ 0.0001628100000000, -0.0010850000000000, 0.0007205900000000 ] - [ -0.0000223400000000, -0.0013269600000000, 0.0004354800000000 ] - [ 0.0035353300000000, 0.0032507200000000, -0.0010769500000000 ] - [ 0.0006286100000000, -0.0013771600000000, -0.0012380000000000 ] - [ 0.0000564000000000, -0.0009144800000000, -0.0001413800000000 ] - [ 0.0000088200000000, 0.0010128500000000, -0.0000468700000000 ] - [ 0.0003348300000000, -0.0030102800000000, 0.0004022700000000 ] - [ 0.0001332500000000, -0.0019038900000000, -0.0001016800000000 ] - [ -0.0004344900000000, 0.0007543500000000, -0.0001288800000000 ] - [ -0.0009218100000000, 0.0244517900000000, 0.0007776100000000 ] - [ -0.0082650400000000, 0.0084539600000000, 0.0011420900000000 ] - [ 0.0000458600000000, 0.0006370900000000, 0.0003012000000000 ] - [ -0.0003614100000000, -0.0011764900000000, -0.0001654400000000 ] - [ 0.0043597300000000, 0.0267105400000000, -0.0019659600000000 ] - [ 0.0010029500000000, -0.0016656700000000, -0.0014114900000000 ] - [ 0.0004101700000000, -0.0040638300000000, -0.0004514200000000 ] - [ -0.0008066400000000, 0.0011513000000000, 0.0000214500000000 ] - [ -0.0002671700000000, 0.0021891600000000, -0.0009006900000000 ] - [ -0.0005598100000000, -0.0005259700000000, -0.0012922300000000 ] - [ -0.0000327200000000, -0.0013733800000000, -0.0001394400000000 ] - [ 0.0001182800000000, -0.0002017600000000, -0.0005903700000000 ] - [ 0.0090834200000000, -0.0126157800000000, 0.0016711500000000 ] - [ -0.0001743000000000, -0.0025219000000000, -0.0000271000000000 ] - [ 0.0000269800000000, 0.0010372600000000, -0.0003523600000000 ] - [ -0.0000167600000000, -0.0009641700000000, 0.0002295200000000 ] - [ 0.0001681500000000, 0.0018774700000000, -0.0002027500000000 ] - [ -0.0008101800000000, -0.0010824000000000, -0.0002324000000000 ] - [ -0.0002609600000000, 0.0008865500000000, 0.0000214600000000 ] - [ -0.0009624500000000, -0.0015922900000000, -0.0004491400000000 ] - [ 0.0000630600000000, 0.0006686500000000, -0.0000494600000000 ] - [ 0.0003772100000000, -0.0017208800000000, 0.0005829400000000 ] - [ -0.0000997800000000, -0.0006219900000000, 0.0001806000000000 ] - [ 0.0000049800000000, -0.0015704200000000, 0.0014900100000000 ] - [ -0.0003301800000000, -0.0017869400000000, 0.0007745900000000 ] - [ -0.0001210600000000, 0.0006044200000000, 0.0003453300000000 ] - [ -0.0002775600000000, -0.0014917500000000, 0.0000184300000000 ] - [ -0.0009561200000000, 0.0020745800000000, 0.0009338300000000 ] - [ -0.0001945700000000, 0.0127027800000000, -0.0060118600000000 ] - [ 0.0003283200000000, 0.0007156100000000, -0.0017721300000000 ] - [ 0.0003646700000000, 0.0023319300000000, 0.0003797000000000 ] - [ -0.0098154500000000, -0.0091462600000000, 0.0052561900000000 ] - [ -0.0012821800000000, -0.0015238600000000, 0.0006965500000000 ] - [ -0.0001782600000000, -0.0022516400000000, -0.0000631900000000 ] - [ 0.0003232700000000, -0.0017627500000000, 0.0001251300000000 ] - [ 0.0001325200000000, -0.0011028100000000, 0.0001027400000000 ] - [ 0.0003509600000000, -0.0021316400000000, -0.0008280900000000 ] - [ -0.0000616900000000, -0.0010802800000000, -0.0003413400000000 ] - [ -0.0005681000000000, -0.0009824100000000, -0.0017000700000000 ] - [ 0.0000399600000000, 0.0011162600000000, -0.0004539700000000 ] - [ -0.0005423800000000, -0.0023613700000000, 0.0000974200000000 ] - [ 0.0008089600000000, -0.0008262500000000, 0.0012792700000000 ] - [ 0.0001348400000000, -0.0003413800000000, 0.0011749300000000 ] - [ 0.0003446100000000, -0.0015119500000000, -0.0014099600000000 ] - [ 0.0003847500000000, 0.0011331200000000, -0.0002373600000000 ] - [ 0.0018267800000000, 0.0014937700000000, 0.0000273500000000 ] - [ 0.0003505100000000, 0.0010881600000000, -0.0001385900000000 ] - [ 0.0006381400000000, -0.0012280300000000, 0.0001249400000000 ] - [ -0.0005673400000000, -0.0020531700000000, 0.0002575800000000 ] - [ 0.0006000900000000, -0.0010289700000000, 0.0006743200000000 ] - [ -0.0001643500000000, 0.0007256300000000, -0.0003111900000000 ] - [ 0.0015881800000000, 0.0032707600000000, -0.0000556200000000 ] - [ 0.0003952200000000, -0.0013747300000000, 0.0002062500000000 ] - [ 0.0014218000000000, 0.0042721000000000, 0.0091070300000000 ]- atom: 32 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000938100000000, -0.0020116500000000, 0.0011579200000000 ] - [ -0.0000819800000000, 0.0017943100000000, 0.0002053800000000 ] - [ 0.0002950400000000, -0.0005177600000000, 0.0002033300000000 ] - [ 0.0000450300000000, -0.0012626700000000, 0.0000359000000000 ] - [ -0.0004813200000000, 0.0009932800000000, -0.0011228400000000 ] - [ 0.0010845400000000, -0.0081666600000000, 0.0075222600000000 ] - [ -0.0000271800000000, 0.0016766100000000, -0.0003004600000000 ] - [ 0.0002978700000000, -0.0010290800000000, -0.0001237000000000 ] - [ 0.0000162000000000, -0.0009937400000000, 0.0000571200000000 ] - [ 0.0001176800000000, 0.0007808100000000, -0.0008177300000000 ] - [ 0.0000227000000000, -0.0004994700000000, 0.0003219600000000 ] - [ -0.0002545500000000, -0.0025600100000000, -0.0008248700000000 ] - [ 0.0005831900000000, 0.0001045500000000, -0.0002623800000000 ] - [ 0.0001670700000000, -0.0009096300000000, -0.0002464300000000 ] - [ 0.0003178900000000, 0.0014282500000000, 0.0009726300000000 ] - [ -0.0004226100000000, 0.0002898600000000, 0.0002995600000000 ] - [ -0.0006583400000000, -0.0077179000000000, -0.0078473700000000 ] - [ -0.0004174500000000, -0.0006669600000000, -0.0004155200000000 ] - [ -0.0061633100000000, 0.0000357200000000, -0.0042272000000000 ] - [ 0.0001082700000000, -0.0007013200000000, -0.0000355100000000 ] - [ 0.0046143700000000, -0.0000291500000000, 0.0035459600000000 ] - [ -0.0001726100000000, 0.0010628400000000, 0.0007108600000000 ] - [ -0.0001433700000000, -0.0012250100000000, 0.0002873900000000 ] - [ 0.0001307200000000, -0.0008731400000000, 0.0000870900000000 ] - [ 0.0049627500000000, -0.0052412200000000, 0.0011088700000000 ] - [ -0.0040527000000000, -0.0048130800000000, 0.0002698000000000 ] - [ -0.0007377100000000, -0.0045860000000000, 0.0012981000000000 ] - [ 0.0085642600000000, -0.0081472500000000, 0.0001554300000000 ] - [ 0.0000194600000000, 0.0029270900000000, 0.0000715500000000 ] - [ 0.0001102800000000, -0.0037459700000000, -0.0004294200000000 ] - [ 0.0004403000000000, 0.0086229800000000, 0.0009606500000000 ] - [ 0.0030000000000000, 0.1696876100000000, 0.0192672200000000 ] - [ 0.0003939700000000, 0.0003609700000000, 0.0036115600000000 ] - [ -0.0003623800000000, 0.0028374700000000, -0.0007677100000000 ] - [ -0.0001178700000000, -0.0013206000000000, -0.0003824600000000 ] - [ 0.0000786700000000, -0.0008083200000000, -0.0008491700000000 ] - [ 0.0002824700000000, -0.0019189400000000, -0.0013822900000000 ] - [ -0.0103597400000000, -0.0005299100000000, 0.0066007600000000 ] - [ -0.0082747900000000, -0.0085626000000000, -0.0005196400000000 ] - [ 0.0195923800000000, -0.0008660400000000, -0.0106506100000000 ] - [ -0.0001915800000000, -0.0042102700000000, 0.0003786500000000 ] - [ 0.0003666200000000, -0.0020967300000000, 0.0003980000000000 ] - [ 0.0000398200000000, 0.0005604300000000, -0.0001274700000000 ] - [ -0.0007948500000000, 0.0010663400000000, -0.0033712000000000 ] - [ 0.0005158300000000, -0.0042124700000000, -0.0009807800000000 ] - [ -0.0001363300000000, -0.0014825400000000, 0.0010020700000000 ] - [ -0.0000801900000000, -0.0020036000000000, 0.0001961000000000 ] - [ -0.0000557400000000, 0.0001402800000000, 0.0002321000000000 ] - [ -0.0000450200000000, -0.0014993700000000, 0.0000556500000000 ] - [ 0.0001602700000000, -0.0003207300000000, 0.0001061000000000 ] - [ -0.0006699700000000, -0.0009164500000000, 0.0001184000000000 ] - [ -0.0000147100000000, -0.0005951400000000, -0.0030004400000000 ] - [ -0.0000286300000000, -0.0039613000000000, -0.0014458900000000 ] - [ -0.0013338400000000, -0.0334412100000000, 0.0086922600000000 ] - [ 0.0000166800000000, 0.0008085000000000, 0.0002188400000000 ] - [ 0.0011055300000000, -0.0023282800000000, -0.0020990100000000 ] - [ 0.0001588000000000, 0.0014456500000000, -0.0002559900000000 ] - [ 0.0001225100000000, 0.0007172900000000, -0.0003901900000000 ] - [ -0.0001428500000000, -0.0021153900000000, -0.0000943200000000 ] - [ -0.0004061200000000, -0.0032300000000000, 0.0001679900000000 ] - [ 0.0006745200000000, -0.0007180200000000, -0.0007660200000000 ] - [ 0.0020246000000000, 0.0015272100000000, -0.0004647400000000 ] - [ -0.0000485800000000, -0.0009957400000000, 0.0000555900000000 ] - [ -0.0002788200000000, -0.0014212200000000, -0.0001053300000000 ] - [ -0.0010033700000000, -0.0005007900000000, -0.0016265500000000 ] - [ 0.0010034400000000, -0.0021360600000000, -0.0004659100000000 ] - [ 0.0002010700000000, -0.0001094800000000, 0.0026058000000000 ] - [ -0.0007396300000000, -0.0010373600000000, 0.0004511600000000 ] - [ -0.0045513200000000, 0.0071618200000000, 0.0007445500000000 ] - [ -0.0001144200000000, -0.0009199800000000, 0.0014238100000000 ] - [ -0.0001332300000000, -0.0008305600000000, 0.0034201300000000 ] - [ 0.0185569300000000, 0.0321160600000000, -0.0048158600000000 ] - [ -0.0001736800000000, -0.0000946200000000, -0.0018492900000000 ] - [ -0.0021878800000000, 0.0016637900000000, 0.0005331800000000 ] - [ 0.0010635500000000, -0.0003113500000000, 0.0009344000000000 ] - [ 0.0061976600000000, 0.0117160100000000, 0.0015571600000000 ] - [ -0.0000192200000000, 0.0013130700000000, -0.0001179700000000 ] - [ -0.0241089300000000, 0.0279569500000000, 0.0032244900000000 ] - [ -0.0000044200000000, -0.0016264300000000, 0.0000838000000000 ] - [ -0.0000377700000000, -0.0027923000000000, -0.0002759400000000 ] - [ -0.0070941000000000, -0.0079969900000000, 0.0011244700000000 ] - [ 0.0009521300000000, 0.0015401000000000, 0.0038853100000000 ] - [ 0.0002628300000000, 0.0005619500000000, -0.0007737200000000 ] - [ -0.0006042000000000, -0.0266970700000000, -0.0009252600000000 ] - [ 0.0002177200000000, 0.0030195100000000, 0.0007612800000000 ] - [ -0.0003088900000000, 0.0003780400000000, -0.0008341100000000 ] - [ 0.0031200900000000, -0.0023907400000000, -0.0014746900000000 ] - [ -0.0010394200000000, 0.0012069500000000, 0.0023277300000000 ] - [ 0.0003404400000000, -0.0013140700000000, -0.0002422200000000 ] - [ 0.0004624500000000, -0.0014937100000000, -0.0001270200000000 ] - [ -0.0001801700000000, 0.0014238800000000, 0.0022476700000000 ] - [ 0.0001382500000000, -0.0272341000000000, -0.0002650900000000 ] - [ 0.0003324200000000, 0.0008012700000000, 0.0013531600000000 ] - [ 0.0000451400000000, 0.0011728200000000, 0.0001409000000000 ] - [ -0.0000871300000000, 0.0034828000000000, 0.0008934700000000 ] - [ 0.0000171600000000, 0.0009569400000000, -0.0002191700000000 ] - [ -0.0000048900000000, 0.0037904300000000, 0.0002144900000000 ] - [ -0.0026825700000000, -0.0526553200000000, -0.0150092100000000 ] - [ -0.0011420900000000, 0.0014095900000000, -0.0032179000000000 ] - [ -0.0000703600000000, 0.0040475400000000, -0.0002889700000000 ] - [ -0.0000842900000000, 0.0007937700000000, -0.0000149300000000 ] - [ 0.0002908800000000, 0.0017131400000000, -0.0029501100000000 ] - [ 0.0012259000000000, 0.0007920300000000, -0.0013296100000000 ] - [ -0.0001624800000000, -0.0003538400000000, 0.0000706900000000 ] - [ 0.0002957600000000, 0.0007939000000000, -0.0000841100000000 ] - [ -0.0010483100000000, 0.0014206200000000, 0.0005045200000000 ] - [ -0.0007637300000000, -0.0001298800000000, -0.0018970900000000 ] - [ 0.0007187100000000, -0.0000959400000000, 0.0011675900000000 ] - [ -0.0002540300000000, 0.0010213600000000, 0.0014066300000000 ] - [ -0.0000668900000000, -0.0003289700000000, -0.0010251700000000 ] - [ -0.0016070600000000, -0.0122723300000000, -0.0017780700000000 ] - [ 0.0026077800000000, -0.0052278000000000, 0.0040299300000000 ] - [ 0.0003628600000000, 0.0014867400000000, -0.0012018200000000 ] - [ -0.0000943600000000, 0.0012041900000000, -0.0000556300000000 ] - [ -0.0004601900000000, 0.0008178600000000, 0.0003987200000000 ] - [ -0.0033109700000000, -0.0031878600000000, 0.0008738300000000 ] - [ -0.0000517000000000, 0.0014680000000000, 0.0014405000000000 ] - [ 0.0002682300000000, 0.0010494600000000, 0.0004748100000000 ] - [ -0.0002792400000000, -0.0017845000000000, -0.0001957400000000 ] - [ -0.0000069400000000, 0.0028737400000000, -0.0000710500000000 ] - [ -0.0006101800000000, 0.0027116000000000, 0.0000371300000000 ] - [ 0.0001622300000000, -0.0010034400000000, 0.0004615900000000 ] - [ 0.0008234300000000, -0.0246584700000000, -0.0011552400000000 ] - [ 0.0084923700000000, -0.0080757900000000, -0.0010233200000000 ] - [ -0.0004369100000000, -0.0015095600000000, -0.0003580100000000 ] - [ 0.0001299800000000, 0.0010411600000000, -0.0001195400000000 ] - [ -0.0047131700000000, -0.0268929300000000, 0.0013902200000000 ] - [ -0.0012398400000000, 0.0018051600000000, 0.0011369400000000 ] - [ 0.0005528200000000, 0.0041982200000000, 0.0005724600000000 ] - [ 0.0017704600000000, -0.0005909200000000, -0.0001599200000000 ] - [ -0.0002173800000000, -0.0022649600000000, 0.0006960300000000 ] - [ 0.0003231500000000, 0.0004339400000000, 0.0014951100000000 ] - [ -0.0001843700000000, 0.0010410300000000, 0.0000229100000000 ] - [ 0.0000337300000000, 0.0013842200000000, 0.0002512400000000 ] - [ -0.0100796200000000, 0.0128535000000000, -0.0017751500000000 ] - [ 0.0004586200000000, 0.0036181100000000, -0.0003223600000000 ] - [ 0.0009186200000000, -0.0011866000000000, 0.0004772200000000 ] - [ 0.0004099000000000, 0.0008986800000000, -0.0006448600000000 ] - [ 0.0000519400000000, -0.0007548400000000, -0.0001637800000000 ] - [ -0.0001273300000000, 0.0009445200000000, 0.0001100900000000 ] - [ -0.0000171800000000, -0.0019670000000000, 0.0003285700000000 ] - [ 0.0003983700000000, 0.0015061600000000, 0.0002396800000000 ] - [ -0.0001313100000000, -0.0005376100000000, -0.0006111200000000 ] - [ -0.0009314500000000, 0.0018941600000000, -0.0001069500000000 ] - [ -0.0001192100000000, 0.0017482700000000, 0.0001875400000000 ] - [ 0.0004939500000000, 0.0016761000000000, -0.0017376500000000 ] - [ 0.0000977600000000, 0.0016576200000000, -0.0003535300000000 ] - [ -0.0008455100000000, -0.0012011700000000, -0.0002117600000000 ] - [ -0.0001937900000000, 0.0006875300000000, -0.0000837600000000 ] - [ 0.0011865500000000, -0.0022300300000000, -0.0006948600000000 ] - [ 0.0004590100000000, -0.0130022000000000, 0.0057549300000000 ] - [ -0.0000940600000000, -0.0005767100000000, 0.0013479800000000 ] - [ 0.0001165900000000, -0.0028480700000000, -0.0012277000000000 ] - [ 0.0102882500000000, 0.0101056800000000, -0.0052429400000000 ] - [ 0.0007919700000000, 0.0014178300000000, -0.0004427400000000 ] - [ -0.0000936900000000, 0.0025024000000000, 0.0003955500000000 ] - [ -0.0000546600000000, 0.0009826600000000, 0.0001183500000000 ] - [ 0.0003580800000000, 0.0010345800000000, 0.0001171400000000 ] - [ -0.0000193800000000, 0.0015960900000000, 0.0002473300000000 ] - [ 0.0003368500000000, 0.0008428800000000, 0.0000097600000000 ] - [ 0.0007052300000000, 0.0009646300000000, 0.0008783200000000 ] - [ -0.0001918900000000, 0.0000529500000000, 0.0007955800000000 ] - [ 0.0003279500000000, 0.0026985000000000, -0.0002160200000000 ] - [ -0.0004196400000000, 0.0008908700000000, -0.0017075900000000 ] - [ -0.0006196000000000, 0.0004399100000000, -0.0009307200000000 ] - [ -0.0005793300000000, 0.0016494000000000, 0.0018435100000000 ] - [ -0.0005186800000000, -0.0011144100000000, 0.0010632700000000 ] - [ -0.0015610700000000, -0.0012791300000000, -0.0003594200000000 ] - [ -0.0001318700000000, -0.0014132800000000, 0.0002576500000000 ] - [ 0.0003277000000000, 0.0006424700000000, -0.0002559000000000 ] - [ -0.0004003300000000, 0.0026514900000000, -0.0001268900000000 ] - [ -0.0000518700000000, 0.0008611500000000, -0.0011455800000000 ] - [ -0.0001615100000000, -0.0005781400000000, -0.0000219900000000 ] - [ -0.0021709200000000, -0.0033320400000000, -0.0004626700000000 ] - [ -0.0000094300000000, 0.0005103300000000, -0.0001458800000000 ] - [ -0.0008627800000000, -0.0041742900000000, -0.0096565800000000 ]- atom: 32 displacement: [ -0.0035230240541542, 0.0000000000000000, 0.0093588621911988 ] forces: - [ 0.0002587200000000, -0.0005830400000000, -0.0005898200000000 ] - [ -0.0024922000000000, -0.0005432200000000, 0.0028046900000000 ] - [ 0.0001666100000000, -0.0001216300000000, 0.0002270100000000 ] - [ 0.0001007400000000, -0.0001648100000000, 0.0002086700000000 ] - [ 0.0030942200000000, 0.0008798400000000, 0.0015616600000000 ] - [ 0.0022020000000000, -0.0081577800000000, -0.0001871000000000 ] - [ -0.0019710400000000, 0.0004016000000000, 0.0026101600000000 ] - [ 0.0005091500000000, 0.0003007000000000, -0.0001436500000000 ] - [ 0.0000710100000000, -0.0001474300000000, -0.0000305100000000 ] - [ -0.0007357600000000, 0.0005285400000000, 0.0001869700000000 ] - [ -0.0001386300000000, 0.0001598200000000, 0.0000204900000000 ] - [ 0.0003720300000000, 0.0005220000000000, -0.0002098300000000 ] - [ 0.0000744800000000, 0.0000460600000000, 0.0009768700000000 ] - [ -0.0001507400000000, 0.0003118100000000, -0.0001066000000000 ] - [ 0.0031258900000000, -0.0013913900000000, 0.0016096700000000 ] - [ -0.0006613600000000, -0.0002399500000000, 0.0009656000000000 ] - [ 0.0018736000000000, 0.0081593700000000, 0.0013241800000000 ] - [ -0.0005571900000000, 0.0000201100000000, 0.0002553600000000 ] - [ 0.0037736500000000, 0.0021742200000000, -0.0025342000000000 ] - [ 0.0000234000000000, 0.0001424200000000, 0.0001580400000000 ] - [ 0.0039831600000000, -0.0022547800000000, -0.0027270300000000 ] - [ -0.0007652900000000, -0.0001488600000000, -0.0002537400000000 ] - [ -0.0002202500000000, 0.0000251400000000, -0.0002299300000000 ] - [ 0.0000428400000000, 0.0002608200000000, 0.0002657400000000 ] - [ -0.0010298400000000, 0.0011121400000000, -0.0018193300000000 ] - [ 0.0005414000000000, -0.0006227300000000, -0.0021391300000000 ] - [ -0.0003069600000000, -0.0014938800000000, -0.0001685800000000 ] - [ -0.0047418300000000, 0.0070522300000000, -0.0044506700000000 ] - [ 0.0002427000000000, 0.0009358500000000, 0.0088078600000000 ] - [ -0.0002493500000000, 0.0004374200000000, -0.0009823700000000 ] - [ -0.0103316900000000, -0.0003248800000000, -0.0044773200000000 ] - [ 0.0619426500000000, -0.0164980800000000, -0.1265920800000000 ] - [ 0.0004882600000000, -0.0064108200000000, 0.0073681600000000 ] - [ 0.0003428600000000, -0.0006978200000000, 0.0079826600000000 ] - [ -0.0009255900000000, 0.0001022200000000, 0.0025418900000000 ] - [ 0.0010222700000000, -0.0000408200000000, 0.0015609200000000 ] - [ 0.0003724500000000, 0.0011272900000000, 0.0010517300000000 ] - [ -0.0105060200000000, -0.0149434300000000, 0.0011246600000000 ] - [ -0.0031084000000000, -0.0055108800000000, -0.0035859900000000 ] - [ -0.0111665700000000, 0.0144830700000000, 0.0004486500000000 ] - [ 0.0002905100000000, 0.0006285600000000, -0.0007859100000000 ] - [ 0.0003345700000000, 0.0001371600000000, 0.0010292900000000 ] - [ -0.0011107600000000, -0.0003336700000000, 0.0031696600000000 ] - [ 0.0005622100000000, 0.0065437100000000, 0.0057733900000000 ] - [ -0.0002638100000000, 0.0015383600000000, -0.0004663500000000 ] - [ 0.0003257300000000, -0.0003976000000000, 0.0004908100000000 ] - [ 0.0000862900000000, 0.0004321300000000, 0.0007159100000000 ] - [ 0.0008351500000000, 0.0000062700000000, 0.0022916200000000 ] - [ 0.0001868900000000, -0.0012631100000000, 0.0001203500000000 ] - [ -0.0029347300000000, 0.0000692800000000, -0.0000229800000000 ] - [ -0.0000395500000000, -0.0000861500000000, -0.0003026600000000 ] - [ 0.0006008600000000, 0.0001247400000000, -0.0000725000000000 ] - [ 0.0026390300000000, 0.0006742700000000, -0.0009750600000000 ] - [ 0.0028778300000000, 0.0085733800000000, -0.0054651000000000 ] - [ -0.0000022100000000, -0.0012451600000000, 0.0005471700000000 ] - [ -0.0017552400000000, 0.0014892000000000, 0.0007266400000000 ] - [ -0.0003522800000000, 0.0012250100000000, 0.0004882000000000 ] - [ -0.0032508700000000, -0.0009608700000000, 0.0016156000000000 ] - [ -0.0009313800000000, 0.0004657600000000, -0.0002662100000000 ] - [ 0.0000646000000000, -0.0001109800000000, 0.0000430300000000 ] - [ -0.0004061100000000, 0.0002317100000000, -0.0001424900000000 ] - [ -0.0020745900000000, -0.0014639900000000, 0.0019251800000000 ] - [ 0.0000959700000000, 0.0011003000000000, 0.0002114200000000 ] - [ -0.0005224100000000, -0.0000295200000000, 0.0004357400000000 ] - [ 0.0012040400000000, 0.0008817400000000, -0.0007058900000000 ] - [ 0.0002451400000000, -0.0002360600000000, 0.0000380000000000 ] - [ 0.0000056300000000, -0.0007704200000000, 0.0005805800000000 ] - [ 0.0004314000000000, 0.0006430400000000, -0.0003083900000000 ] - [ -0.0021253700000000, 0.0175183400000000, 0.0300317900000000 ] - [ -0.0012668100000000, -0.0023123100000000, -0.0001764500000000 ] - [ 0.0007338800000000, 0.0001490700000000, -0.0003422700000000 ] - [ -0.0240185000000000, 0.0110632100000000, -0.0025823400000000 ] - [ -0.0001802900000000, 0.0002157800000000, 0.0007964300000000 ] - [ -0.0032122200000000, 0.0018104400000000, 0.0013441100000000 ] - [ 0.0023809200000000, -0.0015584900000000, -0.0010463600000000 ] - [ -0.0003884100000000, -0.0158145200000000, 0.0288379300000000 ] - [ 0.0025404200000000, -0.0002455000000000, 0.0006895100000000 ] - [ -0.0192292700000000, -0.0122369500000000, -0.0041636200000000 ] - [ 0.0002888100000000, -0.0001257500000000, 0.0001494400000000 ] - [ -0.0002748400000000, 0.0004702300000000, -0.0000453600000000 ] - [ 0.0097722300000000, -0.0025491000000000, 0.0005144600000000 ] - [ -0.0009466800000000, -0.0003970400000000, 0.0025905500000000 ] - [ 0.0018765000000000, 0.0029743900000000, -0.0011347600000000 ] - [ -0.0043577900000000, 0.0003741500000000, 0.0104077900000000 ] - [ -0.0000578200000000, -0.0001454500000000, 0.0005567500000000 ] - [ -0.0004790000000000, 0.0004566200000000, -0.0006806500000000 ] - [ 0.0042321600000000, -0.0005373600000000, -0.0020370100000000 ] - [ 0.0007525500000000, -0.0031551200000000, -0.0005920200000000 ] - [ 0.0002785300000000, -0.0005242300000000, -0.0029797000000000 ] - [ -0.0001011600000000, 0.0004902400000000, -0.0012633200000000 ] - [ 0.0003815000000000, -0.0011875200000000, -0.0003882400000000 ] - [ -0.0061558900000000, 0.0003957900000000, 0.0114101600000000 ] - [ -0.0008025600000000, -0.0001121400000000, -0.0001613200000000 ] - [ 0.0002379800000000, 0.0000911700000000, 0.0000573800000000 ] - [ -0.0007788700000000, -0.0009944900000000, 0.0004679600000000 ] - [ 0.0029207800000000, -0.0007566800000000, 0.0003129100000000 ] - [ 0.0001086700000000, -0.0001236800000000, 0.0004052400000000 ] - [ -0.0045219300000000, 0.0097058400000000, 0.0131500200000000 ] - [ -0.0010211000000000, 0.0002877300000000, 0.0032779500000000 ] - [ -0.0015459700000000, 0.0016438500000000, 0.0011903700000000 ] - [ 0.0001506700000000, -0.0000461900000000, -0.0007211600000000 ] - [ 0.0001062500000000, 0.0011865700000000, -0.0006238100000000 ] - [ 0.0008270700000000, 0.0022683000000000, 0.0013858100000000 ] - [ 0.0010044800000000, -0.0003037500000000, 0.0005583700000000 ] - [ 0.0002712900000000, -0.0008981000000000, -0.0004570600000000 ] - [ 0.0001990800000000, -0.0002990000000000, 0.0000743000000000 ] - [ -0.0004287500000000, 0.0003444500000000, -0.0004985200000000 ] - [ 0.0001375700000000, -0.0001985000000000, -0.0008923100000000 ] - [ -0.0003504000000000, -0.0005257300000000, -0.0004267700000000 ] - [ 0.0003422700000000, 0.0012795300000000, -0.0009418000000000 ] - [ 0.0030439000000000, 0.0085114400000000, 0.0234555900000000 ] - [ 0.0062060100000000, -0.0104512100000000, -0.0066757300000000 ] - [ 0.0008090600000000, 0.0016368600000000, -0.0014719800000000 ] - [ 0.0003001300000000, 0.0018608900000000, -0.0012370800000000 ] - [ -0.0001389800000000, -0.0003022000000000, 0.0005839400000000 ] - [ 0.0040014600000000, 0.0004732200000000, -0.0011638100000000 ] - [ 0.0004698900000000, -0.0011979400000000, -0.0005257900000000 ] - [ 0.0001165900000000, -0.0012463900000000, -0.0009579600000000 ] - [ 0.0003323800000000, 0.0004798200000000, -0.0017589900000000 ] - [ 0.0001281900000000, -0.0004082800000000, 0.0003888200000000 ] - [ -0.0000479200000000, 0.0000783600000000, 0.0001540000000000 ] - [ -0.0020632700000000, -0.0003347200000000, -0.0014530800000000 ] - [ 0.0002079500000000, 0.0016526200000000, 0.0090813300000000 ] - [ 0.0064953500000000, 0.0035769100000000, 0.0000933000000000 ] - [ 0.0026778300000000, 0.0001099700000000, -0.0029141700000000 ] - [ -0.0002177800000000, -0.0002751200000000, -0.0002996200000000 ] - [ -0.0124628200000000, -0.0024559000000000, 0.0105515500000000 ] - [ 0.0009765800000000, -0.0018177000000000, 0.0002692000000000 ] - [ -0.0012322800000000, -0.0018245200000000, 0.0013500100000000 ] - [ 0.0037448500000000, 0.0020026700000000, 0.0020611500000000 ] - [ 0.0006554800000000, -0.0002494400000000, 0.0022923000000000 ] - [ -0.0017687200000000, -0.0016567500000000, -0.0000941100000000 ] - [ -0.0003007700000000, -0.0004284400000000, -0.0002923900000000 ] - [ 0.0002852900000000, 0.0003938400000000, -0.0007724300000000 ] - [ 0.0010712100000000, -0.0043162400000000, 0.0018372200000000 ] - [ -0.0000224100000000, 0.0004110300000000, 0.0001414300000000 ] - [ 0.0024790600000000, -0.0004293100000000, -0.0026188300000000 ] - [ 0.0002725100000000, -0.0000620100000000, -0.0005196900000000 ] - [ -0.0020364900000000, 0.0005584300000000, -0.0021619400000000 ] - [ -0.0003692500000000, -0.0002048900000000, -0.0003326400000000 ] - [ 0.0004220200000000, -0.0011763200000000, -0.0013603000000000 ] - [ -0.0004940500000000, -0.0004766300000000, -0.0001803800000000 ] - [ 0.0003145500000000, 0.0006767000000000, -0.0008200400000000 ] - [ -0.0004184000000000, 0.0003117000000000, 0.0002823100000000 ] - [ -0.0002610700000000, 0.0005090700000000, 0.0000748000000000 ] - [ -0.0006681600000000, 0.0005986800000000, -0.0003337500000000 ] - [ -0.0002265400000000, -0.0001514700000000, 0.0005408000000000 ] - [ -0.0025189300000000, -0.0000252900000000, -0.0017107500000000 ] - [ -0.0005524600000000, -0.0001588400000000, -0.0003130800000000 ] - [ -0.0033881500000000, -0.0043599600000000, -0.0137926500000000 ] - [ 0.0017271900000000, -0.0079564300000000, 0.0267061400000000 ] - [ 0.0006160700000000, -0.0008267500000000, -0.0018368200000000 ] - [ 0.0009067400000000, 0.0004825000000000, 0.0010595800000000 ] - [ -0.0047368400000000, -0.0011862000000000, 0.0047167700000000 ] - [ 0.0000322000000000, 0.0001638900000000, 0.0000722200000000 ] - [ 0.0006084100000000, -0.0004144700000000, 0.0004356200000000 ] - [ 0.0003463900000000, 0.0000071500000000, -0.0001826200000000 ] - [ 0.0003478800000000, -0.0001085500000000, 0.0003239900000000 ] - [ 0.0000600500000000, -0.0004161500000000, -0.0001011500000000 ] - [ -0.0000935000000000, -0.0002521000000000, -0.0005164000000000 ] - [ -0.0003612300000000, -0.0005437500000000, 0.0005642600000000 ] - [ 0.0013873200000000, 0.0004631400000000, -0.0016658000000000 ] - [ -0.0000820600000000, 0.0001435600000000, 0.0001882700000000 ] - [ -0.0002167500000000, 0.0006378200000000, 0.0014560700000000 ] - [ -0.0026809000000000, 0.0025596000000000, 0.0005407900000000 ] - [ 0.0005930100000000, -0.0010031600000000, -0.0014405500000000 ] - [ 0.0006100200000000, 0.0004290800000000, -0.0027798500000000 ] - [ 0.0030476700000000, -0.0011214600000000, 0.0016864300000000 ] - [ -0.0000589500000000, -0.0010767200000000, -0.0013443100000000 ] - [ 0.0002165000000000, -0.0002894400000000, -0.0004256300000000 ] - [ 0.0003492600000000, 0.0004962900000000, 0.0003874500000000 ] - [ 0.0000396700000000, 0.0006560600000000, -0.0005793300000000 ] - [ 0.0000902000000000, -0.0005203600000000, -0.0006526300000000 ] - [ -0.0023914400000000, 0.0028724000000000, -0.0159109400000000 ] - [ 0.0004639000000000, -0.0004716300000000, -0.0003359300000000 ] - [ 0.0043500800000000, 0.0130113700000000, -0.0093394100000000 ]- atom: 32 displacement: [ 0.0035230240541542, 0.0000000000000000, -0.0093588621911988 ] forces: - [ -0.0000682200000000, 0.0003642300000000, 0.0007707900000000 ] - [ 0.0023734300000000, 0.0009960200000000, -0.0028656900000000 ] - [ 0.0004515200000000, 0.0001126100000000, -0.0003687000000000 ] - [ -0.0000089800000000, -0.0005035200000000, 0.0000707000000000 ] - [ -0.0031723400000000, -0.0015403600000000, -0.0018382100000000 ] - [ -0.0024008600000000, 0.0079628900000000, 0.0000298900000000 ] - [ 0.0017713700000000, -0.0001791500000000, -0.0027905400000000 ] - [ 0.0003629300000000, 0.0000370500000000, 0.0003625300000000 ] - [ -0.0000107000000000, 0.0000366600000000, -0.0000883900000000 ] - [ 0.0006739400000000, -0.0004178900000000, -0.0000777300000000 ] - [ 0.0002292900000000, 0.0005070700000000, 0.0002544500000000 ] - [ -0.0002385600000000, -0.0009632200000000, 0.0002680600000000 ] - [ 0.0007979600000000, -0.0003868700000000, -0.0007510900000000 ] - [ 0.0002108200000000, -0.0002026800000000, -0.0000080200000000 ] - [ -0.0031996400000000, 0.0012879600000000, -0.0014938400000000 ] - [ 0.0000408800000000, 0.0002283400000000, -0.0008248200000000 ] - [ -0.0019903400000000, -0.0085689800000000, -0.0013986200000000 ] - [ -0.0003150400000000, -0.0003583100000000, -0.0004787000000000 ] - [ -0.0046322900000000, -0.0018283600000000, 0.0023496200000000 ] - [ 0.0001088700000000, 0.0003016300000000, -0.0001068300000000 ] - [ -0.0033676500000000, 0.0022735900000000, 0.0025458700000000 ] - [ 0.0006721100000000, 0.0008166800000000, -0.0000153400000000 ] - [ -0.0003987000000000, -0.0000158800000000, 0.0003754300000000 ] - [ 0.0001472300000000, -0.0000435900000000, -0.0000760700000000 ] - [ 0.0015206200000000, -0.0014247000000000, 0.0027211400000000 ] - [ -0.0004473600000000, 0.0001529300000000, 0.0024171200000000 ] - [ -0.0000816900000000, 0.0004628600000000, 0.0008441700000000 ] - [ 0.0042386900000000, -0.0073994600000000, 0.0035472000000000 ] - [ -0.0003252300000000, -0.0004505600000000, -0.0090623100000000 ] - [ 0.0004305500000000, -0.0001224700000000, 0.0001225900000000 ] - [ 0.0101293300000000, 0.0006631400000000, 0.0053381300000000 ] - [ -0.0615092700000000, 0.0163480400000000, 0.1270547000000000 ] - [ -0.0008711500000000, 0.0073903800000000, -0.0066658400000000 ] - [ -0.0008552100000000, 0.0010314400000000, -0.0089099900000000 ] - [ 0.0008118800000000, -0.0004829300000000, -0.0026149100000000 ] - [ -0.0008403900000000, -0.0002870500000000, -0.0024154300000000 ] - [ 0.0000033800000000, -0.0009385100000000, -0.0011571700000000 ] - [ 0.0108269100000000, 0.0138607500000000, -0.0018454900000000 ] - [ 0.0030017000000000, 0.0049826300000000, 0.0033008200000000 ] - [ 0.0115778300000000, -0.0147602200000000, -0.0004607300000000 ] - [ -0.0004023900000000, -0.0002581200000000, 0.0007094100000000 ] - [ 0.0001748000000000, 0.0001848300000000, -0.0001224900000000 ] - [ 0.0012244900000000, -0.0000258400000000, -0.0030939400000000 ] - [ -0.0009486400000000, -0.0064070400000000, -0.0056854600000000 ] - [ -0.0001116900000000, -0.0017264400000000, 0.0005604500000000 ] - [ 0.0000649000000000, 0.0014277400000000, -0.0011523400000000 ] - [ -0.0000024600000000, 0.0000425800000000, -0.0004342100000000 ] - [ -0.0010172000000000, -0.0003164600000000, -0.0014361800000000 ] - [ -0.0005152200000000, 0.0007758100000000, -0.0001678300000000 ] - [ 0.0029934500000000, 0.0003139100000000, 0.0001859600000000 ] - [ 0.0004764700000000, 0.0001631200000000, -0.0003914500000000 ] - [ -0.0003073900000000, -0.0002701500000000, 0.0006014200000000 ] - [ -0.0022215900000000, -0.0000068600000000, 0.0007425700000000 ] - [ -0.0032519700000000, -0.0077690900000000, 0.0056332900000000 ] - [ 0.0003319800000000, 0.0007761900000000, -0.0004990300000000 ] - [ 0.0020532200000000, -0.0022587500000000, -0.0011765000000000 ] - [ 0.0003822700000000, -0.0006104100000000, -0.0007024000000000 ] - [ 0.0036653100000000, 0.0002796300000000, -0.0018440200000000 ] - [ 0.0008648800000000, -0.0000943400000000, 0.0001035100000000 ] - [ -0.0000913300000000, -0.0004937700000000, 0.0001710700000000 ] - [ 0.0001137500000000, -0.0000895900000000, -0.0004060300000000 ] - [ 0.0023716800000000, 0.0016071900000000, -0.0013614200000000 ] - [ -0.0001257800000000, -0.0005017700000000, 0.0000038900000000 ] - [ 0.0001087500000000, -0.0006423300000000, -0.0002057100000000 ] - [ -0.0014994100000000, -0.0010281000000000, 0.0001726200000000 ] - [ 0.0000114100000000, -0.0000249200000000, -0.0001728500000000 ] - [ -0.0002597200000000, 0.0010390000000000, -0.0004237300000000 ] - [ -0.0001410200000000, 0.0001275300000000, -0.0001540300000000 ] - [ 0.0017738700000000, -0.0168021200000000, -0.0298505800000000 ] - [ 0.0015137400000000, 0.0025622500000000, 0.0000259800000000 ] - [ -0.0011719300000000, -0.0002290600000000, 0.0010509600000000 ] - [ 0.0242861500000000, -0.0105348500000000, 0.0025129700000000 ] - [ -0.0001136600000000, -0.0009785900000000, -0.0003517900000000 ] - [ 0.0027616600000000, -0.0017287100000000, -0.0006642300000000 ] - [ -0.0019338100000000, 0.0014711500000000, 0.0003338000000000 ] - [ 0.0002128200000000, 0.0155130700000000, -0.0284373100000000 ] - [ -0.0026025900000000, -0.0001386900000000, -0.0008526700000000 ] - [ 0.0192397200000000, 0.0116759300000000, 0.0040729300000000 ] - [ -0.0002253800000000, -0.0002550300000000, 0.0000131800000000 ] - [ -0.0000583000000000, 0.0000095300000000, -0.0000027300000000 ] - [ -0.0092765700000000, 0.0033458100000000, -0.0004405100000000 ] - [ 0.0008098800000000, 0.0003825300000000, -0.0017152700000000 ] - [ -0.0024263000000000, -0.0031530300000000, 0.0016022700000000 ] - [ 0.0039391900000000, 0.0004932200000000, -0.0106511200000000 ] - [ 0.0001361600000000, 0.0000676300000000, 0.0001059100000000 ] - [ 0.0009456000000000, -0.0003818500000000, 0.0008761300000000 ] - [ -0.0037579600000000, 0.0004501600000000, 0.0017988800000000 ] - [ -0.0013028800000000, 0.0032490900000000, 0.0003706300000000 ] - [ -0.0006599100000000, 0.0004479500000000, 0.0033766200000000 ] - [ 0.0006247700000000, -0.0012843200000000, 0.0013251300000000 ] - [ -0.0001320000000000, 0.0013253900000000, 0.0006927900000000 ] - [ 0.0060510000000000, 0.0007918300000000, -0.0110443500000000 ] - [ 0.0003201700000000, 0.0006174300000000, 0.0009948700000000 ] - [ 0.0003383300000000, -0.0001196000000000, 0.0005282700000000 ] - [ 0.0006269600000000, -0.0001914500000000, -0.0001295100000000 ] - [ -0.0026893300000000, -0.0003434900000000, -0.0006798800000000 ] - [ 0.0001841300000000, 0.0008748900000000, -0.0001610500000000 ] - [ 0.0046524500000000, -0.0110828800000000, -0.0134136300000000 ] - [ 0.0006413400000000, -0.0002093100000000, -0.0029126500000000 ] - [ 0.0011350600000000, -0.0007579200000000, -0.0012437600000000 ] - [ -0.0000173400000000, 0.0000657900000000, -0.0001271600000000 ] - [ -0.0006843500000000, -0.0011528000000000, 0.0000153000000000 ] - [ -0.0002486500000000, -0.0022336400000000, -0.0007821500000000 ] - [ -0.0012279300000000, -0.0008070700000000, -0.0001906300000000 ] - [ -0.0000193400000000, -0.0001690800000000, 0.0001063700000000 ] - [ -0.0004638500000000, 0.0004134600000000, 0.0001330100000000 ] - [ -0.0000393400000000, -0.0002752500000000, 0.0003008100000000 ] - [ 0.0003458600000000, 0.0006987500000000, 0.0000610800000000 ] - [ 0.0006093800000000, 0.0004133700000000, 0.0002282500000000 ] - [ -0.0006723200000000, -0.0007409300000000, 0.0015225800000000 ] - [ -0.0028735700000000, -0.0088051600000000, -0.0212101800000000 ] - [ -0.0056842400000000, 0.0104581900000000, 0.0069420500000000 ] - [ -0.0004788500000000, -0.0010832800000000, 0.0008852100000000 ] - [ -0.0002214300000000, -0.0017705600000000, 0.0018951700000000 ] - [ -0.0003422400000000, -0.0002004800000000, 0.0002594100000000 ] - [ -0.0037408600000000, -0.0003584100000000, 0.0009415500000000 ] - [ 0.0000788000000000, 0.0012775600000000, 0.0007350600000000 ] - [ 0.0002017700000000, 0.0013565100000000, 0.0012931900000000 ] - [ -0.0006249000000000, -0.0012438400000000, 0.0015176000000000 ] - [ 0.0001886100000000, 0.0003052500000000, -0.0000549500000000 ] - [ -0.0004725800000000, 0.0007071700000000, -0.0002146600000000 ] - [ 0.0017749100000000, 0.0001171900000000, 0.0017896400000000 ] - [ -0.0002245300000000, -0.0018201500000000, -0.0094744300000000 ] - [ -0.0062313300000000, -0.0032414800000000, 0.0000171700000000 ] - [ -0.0030803300000000, -0.0009837200000000, 0.0028565700000000 ] - [ -0.0000303500000000, 0.0001389100000000, 0.0000090500000000 ] - [ 0.0117644300000000, 0.0022140800000000, -0.0111490500000000 ] - [ -0.0012258200000000, 0.0019522600000000, -0.0005728700000000 ] - [ 0.0021856700000000, 0.0019824200000000, -0.0012218200000000 ] - [ -0.0028006100000000, -0.0014413200000000, -0.0021821700000000 ] - [ -0.0011185600000000, 0.0001745800000000, -0.0024616100000000 ] - [ 0.0015142800000000, 0.0015519400000000, 0.0002883000000000 ] - [ 0.0001003000000000, 0.0001048600000000, 0.0001708000000000 ] - [ -0.0001346800000000, 0.0007927600000000, 0.0004375800000000 ] - [ -0.0019741500000000, 0.0044032900000000, -0.0019493100000000 ] - [ 0.0002752600000000, 0.0006595500000000, -0.0004914900000000 ] - [ -0.0015271300000000, 0.0002800400000000, 0.0027518100000000 ] - [ 0.0001112900000000, -0.0000128900000000, 0.0001330700000000 ] - [ 0.0022618500000000, 0.0005509100000000, 0.0017946900000000 ] - [ -0.0005815400000000, 0.0000533700000000, 0.0002059900000000 ] - [ -0.0006766900000000, 0.0000947700000000, 0.0017082500000000 ] - [ -0.0000502300000000, 0.0003949900000000, -0.0000225600000000 ] - [ -0.0003940500000000, -0.0006064800000000, 0.0001552700000000 ] - [ -0.0001505100000000, -0.0001145900000000, 0.0001767300000000 ] - [ 0.0000352500000000, 0.0005978300000000, 0.0002919400000000 ] - [ 0.0011297200000000, -0.0005137900000000, 0.0000861800000000 ] - [ -0.0000062600000000, 0.0000016300000000, -0.0001033300000000 ] - [ 0.0015759800000000, -0.0005388600000000, 0.0018333400000000 ] - [ 0.0000285800000000, -0.0006240600000000, 0.0002528600000000 ] - [ 0.0036545900000000, 0.0042114200000000, 0.0141270900000000 ] - [ -0.0019638500000000, 0.0081475200000000, -0.0292665700000000 ] - [ -0.0003816800000000, 0.0009651700000000, 0.0014102400000000 ] - [ -0.0004253500000000, -0.0009880100000000, -0.0019175400000000 ] - [ 0.0050960700000000, 0.0020348000000000, -0.0046291900000000 ] - [ -0.0004897900000000, -0.0002477900000000, 0.0001693600000000 ] - [ -0.0008950600000000, 0.0006433300000000, -0.0000998200000000 ] - [ -0.0000538500000000, -0.0007565700000000, 0.0004257300000000 ] - [ 0.0001220400000000, 0.0000388500000000, -0.0001337300000000 ] - [ 0.0002671600000000, -0.0001327000000000, -0.0004900800000000 ] - [ 0.0003831500000000, 0.0000290800000000, 0.0001819900000000 ] - [ 0.0004943800000000, 0.0005254600000000, -0.0014274100000000 ] - [ -0.0015391700000000, 0.0007371200000000, 0.0020011300000000 ] - [ -0.0001202400000000, 0.0001839200000000, -0.0003074700000000 ] - [ 0.0005987100000000, -0.0005592900000000, -0.0018226000000000 ] - [ 0.0022059600000000, -0.0024599600000000, -0.0002873600000000 ] - [ -0.0008268200000000, 0.0011533500000000, 0.0018688400000000 ] - [ -0.0007446300000000, -0.0004080400000000, 0.0036123000000000 ] - [ -0.0027551300000000, 0.0013361900000000, -0.0020215200000000 ] - [ 0.0002599800000000, 0.0007404000000000, 0.0014625600000000 ] - [ 0.0007223600000000, -0.0002788400000000, 0.0002975500000000 ] - [ -0.0012867500000000, 0.0000802800000000, -0.0002607300000000 ] - [ 0.0005249500000000, -0.0008535700000000, 0.0001109400000000 ] - [ -0.0004071500000000, 0.0006144800000000, 0.0003195600000000 ] - [ 0.0017939000000000, -0.0029134300000000, 0.0152785500000000 ] - [ -0.0000593600000000, -0.0004041100000000, 0.0003859900000000 ] - [ -0.0037694300000000, -0.0127053100000000, 0.0087810100000000 ]- atom: 37 displacement: [ 0.0099999639143206, 0.0000000000000000, -0.0000268647033593 ] forces: - [ -0.0000827500000000, -0.0001256200000000, -0.0000125500000000 ] - [ -0.0001729100000000, 0.0005455000000000, -0.0002146800000000 ] - [ -0.0043653500000000, 0.0003282900000000, 0.0005994200000000 ] - [ 0.0001918200000000, 0.0000591200000000, 0.0007521100000000 ] - [ 0.0001080200000000, -0.0022487800000000, -0.0002392600000000 ] - [ -0.0000836600000000, 0.0000661700000000, -0.0000876000000000 ] - [ -0.0001163900000000, 0.0012211700000000, -0.0002220300000000 ] - [ 0.0023384500000000, 0.0030652900000000, -0.0054060100000000 ] - [ 0.0008769800000000, 0.0015279100000000, -0.0007211400000000 ] - [ 0.0024712300000000, 0.0000188600000000, -0.0001207000000000 ] - [ 0.0004009100000000, 0.0002199800000000, 0.0001292700000000 ] - [ 0.0000803600000000, -0.0003050100000000, 0.0000558400000000 ] - [ 0.0003645100000000, -0.0002178400000000, 0.0001274400000000 ] - [ -0.0000615600000000, 0.0000261600000000, -0.0000110100000000 ] - [ 0.0000901800000000, -0.0003567100000000, 0.0003273600000000 ] - [ -0.0001938400000000, -0.0000596100000000, 0.0000643300000000 ] - [ -0.0041210200000000, -0.0006958100000000, -0.0010743300000000 ] - [ 0.0060256900000000, 0.0005936200000000, 0.0002750700000000 ] - [ -0.0004177900000000, 0.0001368600000000, -0.0000540800000000 ] - [ 0.0011364700000000, -0.0034532000000000, 0.0004555500000000 ] - [ 0.0002920600000000, -0.0001397000000000, -0.0001343900000000 ] - [ -0.0003514500000000, 0.0002766200000000, -0.0000462300000000 ] - [ -0.0001797100000000, 0.0001029300000000, 0.0008388000000000 ] - [ 0.0001682300000000, -0.0011737700000000, -0.0011193100000000 ] - [ 0.0002989100000000, -0.0002848900000000, 0.0002441400000000 ] - [ 0.0001080900000000, -0.0007018800000000, 0.0003760500000000 ] - [ -0.0005562200000000, -0.0006024800000000, -0.0013455000000000 ] - [ 0.0006771300000000, 0.0012946400000000, 0.0040325100000000 ] - [ -0.0011095900000000, -0.0006577200000000, 0.0001538400000000 ] - [ 0.0014822100000000, -0.0000975700000000, 0.0002351000000000 ] - [ 0.0004081600000000, -0.0000759600000000, 0.0003994100000000 ] - [ -0.0007265400000000, 0.0000981800000000, -0.0000707400000000 ] - [ -0.0005517600000000, 0.0003389300000000, 0.0003362900000000 ] - [ 0.0011658800000000, 0.0000203100000000, -0.0002484700000000 ] - [ -0.0002581200000000, -0.0009131200000000, -0.0001888300000000 ] - [ 0.0003400000000000, 0.0001277400000000, -0.0002590900000000 ] - [ -0.1352110700000000, -0.0061662700000000, -0.0068545300000000 ] - [ 0.0001029200000000, -0.0005615100000000, -0.0003315200000000 ] - [ 0.0008735200000000, -0.0003137900000000, -0.0070940800000000 ] - [ 0.0001258900000000, -0.0003704200000000, -0.0001832400000000 ] - [ -0.0013785100000000, -0.0003979800000000, 0.0002793500000000 ] - [ -0.0147227100000000, 0.0071732200000000, 0.0077267300000000 ] - [ 0.0018215000000000, 0.0190886800000000, -0.0114300200000000 ] - [ -0.0000013300000000, -0.0000204000000000, 0.0000358300000000 ] - [ 0.0047357600000000, -0.0055409900000000, 0.0132611200000000 ] - [ 0.0080278300000000, 0.0010199300000000, -0.0019889100000000 ] - [ 0.0086413700000000, 0.0004258800000000, 0.0001201200000000 ] - [ 0.0096316700000000, -0.0162894600000000, 0.0166338300000000 ] - [ -0.0015020800000000, -0.0001417800000000, 0.0001369200000000 ] - [ 0.0001400400000000, 0.0000430300000000, 0.0000886500000000 ] - [ -0.0004109600000000, -0.0004289800000000, 0.0004223300000000 ] - [ 0.0236468600000000, -0.0146920000000000, -0.0107023500000000 ] - [ -0.0029519900000000, 0.0005677600000000, 0.0004621900000000 ] - [ -0.0003154000000000, 0.0002174600000000, 0.0001627500000000 ] - [ 0.0040903900000000, 0.0016832500000000, 0.0002737100000000 ] - [ 0.0002299600000000, -0.0006250900000000, -0.0004947600000000 ] - [ -0.0025981900000000, -0.0005678700000000, 0.0007754700000000 ] - [ 0.0000553600000000, -0.0003277700000000, -0.0001010900000000 ] - [ 0.0022073300000000, 0.0008505600000000, 0.0000599400000000 ] - [ 0.0001852600000000, -0.0016581500000000, 0.0001804700000000 ] - [ 0.0031908200000000, -0.0015957400000000, -0.0009138400000000 ] - [ 0.0000798000000000, -0.0000066200000000, 0.0003865200000000 ] - [ 0.0010617000000000, -0.0000246700000000, 0.0000016300000000 ] - [ 0.0171545400000000, -0.0233414600000000, -0.0187893800000000 ] - [ -0.0000651000000000, -0.0000536500000000, -0.0000612600000000 ] - [ 0.0004053600000000, -0.0004102400000000, 0.0002653700000000 ] - [ -0.0012058800000000, 0.0005038300000000, -0.0019986700000000 ] - [ -0.0213937200000000, -0.0038365200000000, -0.0118233100000000 ] - [ -0.0000152100000000, 0.0003620900000000, 0.0002230800000000 ] - [ -0.0000617000000000, -0.0002988000000000, 0.0001931000000000 ] - [ 0.0019394000000000, 0.0001758200000000, 0.0033839100000000 ] - [ 0.0002488700000000, 0.0007554800000000, 0.0001609200000000 ] - [ 0.0165948400000000, 0.0103261600000000, 0.0065209500000000 ] - [ 0.0003233900000000, -0.0001646300000000, 0.0004165800000000 ] - [ 0.0001804200000000, 0.0000415900000000, -0.0004705100000000 ] - [ -0.0004827100000000, -0.0004663100000000, -0.0000158800000000 ] - [ 0.0000472600000000, -0.0005893400000000, -0.0000673700000000 ] - [ -0.0000000200000000, -0.0009273200000000, -0.0002925000000000 ] - [ 0.0193976600000000, 0.0095709800000000, 0.0032996200000000 ] - [ -0.0000328700000000, 0.0006174800000000, -0.0000671100000000 ] - [ -0.0001087200000000, -0.0000938300000000, -0.0001563400000000 ] - [ -0.0054101100000000, 0.0054379300000000, 0.0140532400000000 ] - [ -0.0000116400000000, 0.0001858400000000, 0.0002416000000000 ] - [ 0.0002020200000000, -0.0002637500000000, -0.0004451100000000 ] - [ 0.0002349400000000, -0.0003729700000000, 0.0009680400000000 ] - [ 0.0001461700000000, -0.0001325800000000, 0.0001634400000000 ] - [ -0.0001955700000000, -0.0000065200000000, -0.0001366600000000 ] - [ -0.0003570700000000, 0.0001926700000000, -0.0000514400000000 ] - [ -0.0008045000000000, 0.0001193100000000, 0.0001379400000000 ] - [ -0.0037435600000000, 0.0006018700000000, -0.0011696700000000 ] - [ -0.0059551100000000, -0.0013148600000000, -0.0062072400000000 ] - [ 0.0003471900000000, 0.0011862300000000, 0.0006647600000000 ] - [ -0.0002692200000000, 0.0001637000000000, 0.0002325500000000 ] - [ -0.0014640500000000, -0.0000780700000000, -0.0000543600000000 ] - [ 0.0023586600000000, -0.0005249900000000, -0.0009505600000000 ] - [ -0.0017741300000000, -0.0010066000000000, -0.0001170000000000 ] - [ 0.0002850300000000, 0.0003980500000000, 0.0001096200000000 ] - [ 0.0001407000000000, -0.0004674200000000, -0.0001684300000000 ] - [ -0.0004709500000000, 0.0003089900000000, -0.0025469300000000 ] - [ 0.0019265200000000, -0.0004827200000000, 0.0008096900000000 ] - [ -0.0022479600000000, 0.0003532700000000, 0.0004397200000000 ] - [ 0.0003609100000000, -0.0004160700000000, 0.0022413400000000 ] - [ 0.0002722800000000, 0.0002002800000000, 0.0001680900000000 ] - [ -0.0002250100000000, -0.0004273100000000, 0.0001783800000000 ] - [ -0.0009982000000000, 0.0001412700000000, -0.0000539300000000 ] - [ -0.0038463000000000, 0.0022957100000000, -0.0003937800000000 ] - [ -0.0005963200000000, 0.0011312300000000, -0.0047478100000000 ] - [ -0.0114244000000000, 0.0056574000000000, -0.0030938600000000 ] - [ 0.0187282500000000, -0.0037099700000000, -0.0087740000000000 ] - [ 0.0006744800000000, -0.0001612800000000, 0.0024695800000000 ] - [ 0.0003809600000000, -0.0000101300000000, 0.0004764400000000 ] - [ 0.0002077200000000, -0.0000156000000000, 0.0001497500000000 ] - [ 0.0001417000000000, 0.0010047300000000, -0.0003666800000000 ] - [ 0.0004657900000000, 0.0001437300000000, 0.0002766000000000 ] - [ -0.0027464400000000, -0.0002136200000000, 0.0003172900000000 ] - [ 0.0002028300000000, 0.0001394100000000, -0.0001004800000000 ] - [ 0.0150138200000000, 0.0067091100000000, 0.0090822200000000 ] - [ -0.0001696000000000, 0.0002684500000000, 0.0002168300000000 ] - [ -0.0031964100000000, -0.0019786100000000, 0.0006605300000000 ] - [ 0.0000248600000000, 0.0017353100000000, -0.0010907100000000 ] - [ -0.0004072200000000, 0.0004330200000000, -0.0000119700000000 ] - [ -0.0003525400000000, 0.0000092600000000, 0.0001281400000000 ] - [ -0.0000594800000000, 0.0003802100000000, -0.0001048700000000 ] - [ -0.0001083900000000, 0.0007936500000000, 0.0004037300000000 ] - [ 0.0001788100000000, -0.0003988200000000, 0.0000172600000000 ] - [ 0.0189108200000000, 0.0002340000000000, 0.0033249600000000 ] - [ 0.0001091200000000, -0.0003681600000000, -0.0003344800000000 ] - [ -0.0000892200000000, 0.0001749200000000, -0.0000042500000000 ] - [ 0.0018983100000000, 0.0000111400000000, -0.0020690300000000 ] - [ 0.0003936600000000, 0.0004049400000000, -0.0001009800000000 ] - [ -0.0006635000000000, 0.0002459000000000, -0.0000857400000000 ] - [ -0.0001939000000000, -0.0000336700000000, 0.0000243100000000 ] - [ -0.0009978900000000, -0.0004440000000000, -0.0001047200000000 ] - [ 0.0134899200000000, 0.0032178300000000, 0.0036202100000000 ] - [ -0.0004317300000000, 0.0001383100000000, -0.0000345100000000 ] - [ 0.0003916200000000, 0.0011411900000000, -0.0002065000000000 ] - [ 0.0003290300000000, -0.0001896800000000, 0.0000945700000000 ] - [ 0.0022606600000000, -0.0000852500000000, -0.0015524400000000 ] - [ -0.0000960300000000, 0.0010194600000000, -0.0003033500000000 ] - [ 0.0129265200000000, 0.0111333600000000, 0.0061269600000000 ] - [ 0.0037782700000000, -0.0001362100000000, 0.0004753400000000 ] - [ 0.0188659800000000, 0.0029996600000000, 0.0046044700000000 ] - [ -0.0042160300000000, -0.0019883400000000, 0.0008481200000000 ] - [ -0.0006475200000000, 0.0003193100000000, 0.0003332100000000 ] - [ -0.0046692100000000, -0.0077082700000000, -0.0002694200000000 ] - [ -0.0018766900000000, -0.0004478700000000, -0.0005624300000000 ] - [ 0.0045006700000000, 0.0015749100000000, 0.0025058300000000 ] - [ -0.0004119800000000, -0.0001338300000000, 0.0000672600000000 ] - [ 0.0004837100000000, -0.0011716800000000, -0.0003705400000000 ] - [ -0.0000535800000000, 0.0000074600000000, 0.0001282800000000 ] - [ 0.0001031100000000, -0.0000558900000000, -0.0001938100000000 ] - [ -0.0043955700000000, -0.0065561400000000, 0.0017255800000000 ] - [ 0.0002073200000000, -0.0001970800000000, -0.0005204400000000 ] - [ 0.0003113700000000, 0.0005503800000000, 0.0000056100000000 ] - [ 0.0004657300000000, 0.0000451300000000, 0.0004524600000000 ] - [ -0.0022059900000000, -0.0002705600000000, -0.0012499600000000 ] - [ 0.0021488100000000, 0.0001838600000000, -0.0000195000000000 ] - [ 0.0003420900000000, 0.0000501900000000, -0.0003949900000000 ] - [ 0.0001743500000000, -0.0001438600000000, -0.0004596300000000 ] - [ 0.0013591800000000, -0.0026380400000000, -0.0034983000000000 ] - [ 0.0000540400000000, 0.0000467500000000, -0.0006692100000000 ] - [ -0.0000469900000000, 0.0006925500000000, 0.0001840900000000 ] - [ -0.0004427100000000, 0.0006428200000000, -0.0001693700000000 ] - [ 0.0001447200000000, -0.0000506900000000, 0.0000229100000000 ] - [ -0.0001567300000000, 0.0000547200000000, 0.0001504900000000 ] - [ -0.0000754900000000, 0.0004794200000000, 0.0003611800000000 ] - [ 0.0001181400000000, 0.0000971000000000, 0.0002046500000000 ] - [ 0.0000485400000000, 0.0002620600000000, -0.0001329300000000 ] - [ 0.0038809000000000, 0.0016751600000000, -0.0017413200000000 ] - [ -0.0101277400000000, -0.0006885800000000, -0.0018959000000000 ] - [ -0.0019109500000000, 0.0000416700000000, 0.0010546400000000 ] - [ -0.0003030600000000, -0.0006981300000000, 0.0023607100000000 ] - [ 0.0129162600000000, -0.0000646400000000, 0.0003799800000000 ] - [ 0.0001122300000000, 0.0003362700000000, -0.0002459300000000 ] - [ -0.0111228200000000, 0.0064590500000000, 0.0048007100000000 ] - [ 0.0005926600000000, 0.0003520400000000, -0.0001491000000000 ]- atom: 37 displacement: [ -0.0099999639143206, 0.0000000000000000, 0.0000268647033593 ] forces: - [ 0.0002722300000000, -0.0000948800000000, 0.0002000400000000 ] - [ 0.0000470100000000, -0.0001052600000000, 0.0001591100000000 ] - [ 0.0049744400000000, -0.0003365300000000, -0.0007840800000000 ] - [ -0.0001015100000000, -0.0007215400000000, -0.0004702000000000 ] - [ -0.0002037700000000, 0.0015736000000000, -0.0000391300000000 ] - [ -0.0001064000000000, -0.0002803800000000, -0.0000965600000000 ] - [ -0.0000699900000000, -0.0010090800000000, 0.0000378300000000 ] - [ -0.0014746600000000, -0.0027057100000000, 0.0055878200000000 ] - [ -0.0008293800000000, -0.0016267500000000, 0.0006059800000000 ] - [ -0.0025223800000000, 0.0000793500000000, 0.0002284300000000 ] - [ -0.0003092000000000, 0.0004459700000000, 0.0001506200000000 ] - [ 0.0000481500000000, -0.0001373600000000, 0.0000000200000000 ] - [ 0.0005031700000000, -0.0001191000000000, 0.0000896700000000 ] - [ 0.0001198400000000, 0.0000770600000000, -0.0001035600000000 ] - [ -0.0001504300000000, 0.0002503300000000, -0.0002132400000000 ] - [ -0.0004237900000000, 0.0000474800000000, 0.0000812800000000 ] - [ 0.0039736900000000, 0.0002617400000000, 0.0010258900000000 ] - [ -0.0069052200000000, -0.0009302300000000, -0.0004954000000000 ] - [ -0.0004502800000000, 0.0001973000000000, -0.0001641200000000 ] - [ -0.0009977600000000, 0.0039089000000000, -0.0004022600000000 ] - [ 0.0003251000000000, 0.0001474900000000, -0.0000110800000000 ] - [ 0.0002586000000000, 0.0003873200000000, -0.0002356200000000 ] - [ -0.0004377600000000, -0.0000900900000000, -0.0006894300000000 ] - [ 0.0000257300000000, 0.0013849700000000, 0.0012987800000000 ] - [ 0.0002232900000000, -0.0000379400000000, 0.0006771200000000 ] - [ -0.0000364300000000, 0.0002247800000000, -0.0000857800000000 ] - [ 0.0001860700000000, -0.0004127000000000, 0.0020081400000000 ] - [ -0.0011959500000000, -0.0016082500000000, -0.0049427700000000 ] - [ 0.0010335400000000, 0.0011370900000000, -0.0004436000000000 ] - [ -0.0012887400000000, 0.0004182000000000, -0.0011160500000000 ] - [ -0.0005927000000000, 0.0003833300000000, 0.0004700200000000 ] - [ 0.0008419000000000, 0.0002714400000000, 0.0001575200000000 ] - [ 0.0001792300000000, 0.0006800300000000, 0.0003295600000000 ] - [ -0.0016907200000000, 0.0002849500000000, -0.0006689500000000 ] - [ 0.0001491600000000, 0.0005312800000000, 0.0000984500000000 ] - [ -0.0001601400000000, -0.0004453600000000, -0.0006150200000000 ] - [ 0.1357108700000000, 0.0073633200000000, 0.0069170000000000 ] - [ 0.0002702300000000, -0.0004696000000000, -0.0003319600000000 ] - [ -0.0009413500000000, -0.0001609600000000, 0.0067683400000000 ] - [ 0.0002729100000000, 0.0001827400000000, 0.0000973800000000 ] - [ 0.0012567500000000, 0.0007710700000000, -0.0003360700000000 ] - [ 0.0151398100000000, -0.0068913500000000, -0.0068874300000000 ] - [ -0.0016761600000000, -0.0195664200000000, 0.0115834400000000 ] - [ -0.0003975200000000, 0.0001990500000000, 0.0000498000000000 ] - [ -0.0050847100000000, 0.0053907400000000, -0.0131968700000000 ] - [ -0.0076437400000000, 0.0000103700000000, 0.0013417900000000 ] - [ -0.0085537600000000, 0.0000671900000000, 0.0001737800000000 ] - [ -0.0097680700000000, 0.0158196000000000, -0.0156150100000000 ] - [ 0.0011853700000000, -0.0003463700000000, -0.0001910900000000 ] - [ -0.0000692300000000, 0.0003503200000000, 0.0000800300000000 ] - [ 0.0008627500000000, 0.0005012600000000, -0.0011213900000000 ] - [ -0.0231540600000000, 0.0143967000000000, 0.0111242900000000 ] - [ 0.0033598600000000, 0.0001098600000000, -0.0006915500000000 ] - [ -0.0001048700000000, 0.0004405800000000, 0.0000778100000000 ] - [ -0.0037673500000000, -0.0021653400000000, -0.0002190700000000 ] - [ 0.0000721400000000, -0.0001583800000000, 0.0000371600000000 ] - [ 0.0025963400000000, 0.0012855400000000, -0.0009811900000000 ] - [ 0.0003683400000000, -0.0003372000000000, -0.0001377800000000 ] - [ -0.0022695300000000, -0.0004488900000000, -0.0002289100000000 ] - [ -0.0002100000000000, 0.0010391300000000, 0.0000371900000000 ] - [ -0.0034833800000000, 0.0017300700000000, 0.0003653500000000 ] - [ 0.0002119400000000, 0.0001385400000000, 0.0001554200000000 ] - [ -0.0010917500000000, 0.0006381000000000, 0.0002143900000000 ] - [ -0.0176012400000000, 0.0229742000000000, 0.0193059500000000 ] - [ -0.0002286100000000, -0.0000790100000000, -0.0004838700000000 ] - [ -0.0001520600000000, 0.0001568300000000, -0.0003967200000000 ] - [ 0.0009551200000000, -0.0002503700000000, 0.0021391000000000 ] - [ 0.0216462300000000, 0.0044789300000000, 0.0114720700000000 ] - [ -0.0002837200000000, 0.0004167400000000, 0.0002326600000000 ] - [ 0.0003146400000000, 0.0005553700000000, -0.0003330400000000 ] - [ -0.0023856400000000, -0.0002455200000000, -0.0026802000000000 ] - [ 0.0000680200000000, -0.0002812200000000, -0.0001067800000000 ] - [ -0.0168939900000000, -0.0111326500000000, -0.0061746400000000 ] - [ -0.0007703200000000, 0.0002296600000000, 0.0002727800000000 ] - [ 0.0002702700000000, -0.0001131900000000, -0.0002242000000000 ] - [ 0.0002278500000000, 0.0002026300000000, 0.0001604200000000 ] - [ -0.0001197200000000, 0.0001884000000000, -0.0001013400000000 ] - [ 0.0000326500000000, 0.0003082700000000, 0.0000755100000000 ] - [ -0.0192035300000000, -0.0098948800000000, -0.0030406700000000 ] - [ -0.0002869500000000, -0.0001363200000000, 0.0000143000000000 ] - [ 0.0005802500000000, 0.0008976100000000, 0.0002227100000000 ] - [ 0.0052549600000000, -0.0054285300000000, -0.0131512300000000 ] - [ -0.0005407900000000, -0.0003536900000000, 0.0002315800000000 ] - [ -0.0004731000000000, 0.0010419100000000, 0.0002023200000000 ] - [ -0.0001622700000000, 0.0002438900000000, -0.0003046100000000 ] - [ 0.0003414900000000, 0.0002057400000000, 0.0000528600000000 ] - [ 0.0006803000000000, -0.0000973300000000, -0.0001149100000000 ] - [ -0.0002052300000000, -0.0001038600000000, -0.0001555600000000 ] - [ 0.0004109700000000, -0.0001837300000000, 0.0002772200000000 ] - [ 0.0042086600000000, -0.0013930600000000, 0.0012279600000000 ] - [ 0.0061344100000000, 0.0014409300000000, 0.0064833800000000 ] - [ -0.0006234200000000, -0.0000946700000000, -0.0003140200000000 ] - [ -0.0002106900000000, 0.0003486100000000, 0.0006033000000000 ] - [ 0.0020311200000000, 0.0000448400000000, 0.0006166400000000 ] - [ -0.0025026200000000, -0.0006665200000000, 0.0012727800000000 ] - [ 0.0019859400000000, -0.0001207200000000, -0.0002496700000000 ] - [ -0.0000114800000000, 0.0003808800000000, 0.0001303200000000 ] - [ 0.0000112600000000, -0.0007071900000000, -0.0001702400000000 ] - [ 0.0000791200000000, -0.0002388900000000, 0.0029507000000000 ] - [ -0.0023008000000000, 0.0013401900000000, -0.0008665800000000 ] - [ 0.0023754800000000, -0.0003447200000000, -0.0012674700000000 ] - [ -0.0009328400000000, 0.0004423900000000, -0.0028096200000000 ] - [ 0.0002977300000000, -0.0001706300000000, 0.0004032000000000 ] - [ 0.0000052200000000, -0.0006967800000000, 0.0001897700000000 ] - [ 0.0012667900000000, -0.0012281000000000, -0.0002942000000000 ] - [ 0.0035991700000000, -0.0022127300000000, 0.0006014100000000 ] - [ 0.0001185900000000, -0.0010534700000000, 0.0045136200000000 ] - [ 0.0118635300000000, -0.0051050600000000, 0.0022476200000000 ] - [ -0.0171198400000000, 0.0027726200000000, 0.0079402800000000 ] - [ -0.0010153800000000, 0.0007063300000000, -0.0018820600000000 ] - [ -0.0007114800000000, -0.0005295500000000, 0.0001080000000000 ] - [ 0.0003565900000000, -0.0000711500000000, 0.0000576100000000 ] - [ 0.0001880500000000, -0.0004606500000000, -0.0002179100000000 ] - [ -0.0003990500000000, -0.0000099100000000, 0.0003854800000000 ] - [ 0.0022651200000000, -0.0003046400000000, 0.0005226900000000 ] - [ 0.0000332800000000, -0.0000494800000000, -0.0000912400000000 ] - [ -0.0148338600000000, -0.0070571700000000, -0.0094599300000000 ] - [ 0.0004930900000000, -0.0001289000000000, 0.0001159400000000 ] - [ 0.0029221300000000, 0.0012094300000000, -0.0009039400000000 ] - [ 0.0002929700000000, -0.0018736200000000, 0.0014141300000000 ] - [ -0.0000636100000000, 0.0003680900000000, -0.0000522700000000 ] - [ 0.0000788700000000, -0.0002471300000000, 0.0002030900000000 ] - [ -0.0002657200000000, -0.0005176700000000, -0.0002266800000000 ] - [ 0.0003264400000000, -0.0004574200000000, -0.0002846900000000 ] - [ -0.0005659200000000, -0.0004668300000000, -0.0000770100000000 ] - [ -0.0189776000000000, -0.0000494600000000, -0.0035984500000000 ] - [ -0.0001787800000000, 0.0002491200000000, -0.0003289100000000 ] - [ -0.0001409200000000, -0.0000358900000000, -0.0002767000000000 ] - [ -0.0009554100000000, 0.0001235200000000, 0.0021853200000000 ] - [ 0.0005734400000000, 0.0001862300000000, -0.0000308100000000 ] - [ 0.0001758800000000, -0.0003143200000000, -0.0001289700000000 ] - [ -0.0000402600000000, -0.0000532400000000, 0.0001678700000000 ] - [ 0.0007811500000000, 0.0001085000000000, -0.0000124200000000 ] - [ -0.0146669300000000, -0.0023246600000000, -0.0033607200000000 ] - [ -0.0005090500000000, 0.0000055000000000, -0.0000891700000000 ] - [ -0.0001168200000000, -0.0000512200000000, -0.0001454000000000 ] - [ 0.0006096000000000, 0.0000507500000000, 0.0000274900000000 ] - [ -0.0018620800000000, 0.0000126800000000, 0.0011525000000000 ] - [ 0.0003197400000000, 0.0001110400000000, -0.0000653400000000 ] - [ -0.0141787300000000, -0.0111884800000000, -0.0060983000000000 ] - [ -0.0040754300000000, -0.0009853200000000, -0.0001274500000000 ] - [ -0.0195873300000000, -0.0028900300000000, -0.0050749000000000 ] - [ 0.0041416600000000, 0.0021149600000000, -0.0015177200000000 ] - [ 0.0000941500000000, -0.0001512700000000, 0.0001356000000000 ] - [ 0.0044463000000000, 0.0087813100000000, 0.0006332300000000 ] - [ 0.0023637600000000, 0.0005548600000000, 0.0003039600000000 ] - [ -0.0047089200000000, -0.0016800800000000, -0.0021340500000000 ] - [ -0.0005526300000000, -0.0004526600000000, 0.0000651500000000 ] - [ -0.0009498500000000, 0.0003800600000000, 0.0003092300000000 ] - [ 0.0002807000000000, -0.0001414600000000, 0.0001499100000000 ] - [ 0.0001278000000000, -0.0000733500000000, -0.0002289900000000 ] - [ 0.0046142200000000, 0.0066943900000000, -0.0021202900000000 ] - [ 0.0002751900000000, -0.0003120300000000, -0.0003121000000000 ] - [ 0.0000754500000000, 0.0003181400000000, 0.0000531900000000 ] - [ -0.0009573100000000, -0.0001562100000000, -0.0001934000000000 ] - [ 0.0019201700000000, 0.0005063700000000, 0.0015779500000000 ] - [ -0.0018780100000000, -0.0009478800000000, 0.0002662300000000 ] - [ 0.0001478000000000, -0.0001222800000000, 0.0006170800000000 ] - [ 0.0001574000000000, -0.0004008700000000, -0.0001343200000000 ] - [ -0.0006342800000000, 0.0024760100000000, 0.0035213600000000 ] - [ 0.0000776200000000, -0.0000642600000000, -0.0001642000000000 ] - [ -0.0001056300000000, 0.0004901500000000, 0.0001540800000000 ] - [ 0.0002205100000000, -0.0003112200000000, 0.0000530900000000 ] - [ 0.0002492200000000, 0.0001194800000000, -0.0004397800000000 ] - [ -0.0003299600000000, 0.0000540300000000, 0.0001021100000000 ] - [ -0.0001586800000000, -0.0003416000000000, 0.0000675700000000 ] - [ -0.0002488100000000, -0.0000785700000000, 0.0006294700000000 ] - [ 0.0002255500000000, -0.0000191000000000, -0.0001985100000000 ] - [ -0.0036141100000000, -0.0020241600000000, 0.0018481600000000 ] - [ 0.0110710400000000, 0.0000867700000000, 0.0017351200000000 ] - [ 0.0009404900000000, 0.0005425400000000, -0.0009163900000000 ] - [ 0.0008524500000000, 0.0005283700000000, -0.0028416200000000 ] - [ -0.0132192700000000, 0.0001908700000000, -0.0007210400000000 ] - [ -0.0006825000000000, -0.0003621300000000, -0.0003322100000000 ] - [ 0.0114682300000000, -0.0073473100000000, -0.0047646800000000 ] - [ -0.0000384200000000, -0.0001752300000000, -0.0003252500000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000955800000000, 0.0019055200000000, -0.0005264500000000 ] - [ 0.0004367600000000, 0.0012931600000000, -0.0007962500000000 ] - [ 0.0006533100000000, -0.0053532200000000, -0.0015680400000000 ] - [ 0.0004616700000000, -0.0000054000000000, 0.0006612100000000 ] - [ -0.0007544200000000, 0.0013583400000000, 0.0005014500000000 ] - [ -0.0000500200000000, -0.0005063200000000, -0.0000813400000000 ] - [ 0.0006161400000000, 0.0019886100000000, 0.0002542000000000 ] - [ 0.0024155900000000, -0.0039722900000000, -0.0014687800000000 ] - [ 0.0027742200000000, 0.0022184400000000, -0.0005701000000000 ] - [ -0.0000557300000000, 0.0006772500000000, 0.0008520300000000 ] - [ 0.0001572900000000, 0.0010361400000000, -0.0002086600000000 ] - [ 0.0000930800000000, 0.0004110500000000, -0.0000694600000000 ] - [ 0.0004257100000000, 0.0009894100000000, 0.0002187400000000 ] - [ 0.0000031000000000, 0.0007121200000000, 0.0002888400000000 ] - [ -0.0003763300000000, 0.0004241600000000, -0.0005929400000000 ] - [ -0.0002642200000000, 0.0011101800000000, 0.0000472700000000 ] - [ -0.0004282200000000, 0.0028384400000000, 0.0050081000000000 ] - [ -0.0006073100000000, -0.0030042100000000, -0.0006993400000000 ] - [ -0.0005018200000000, 0.0009500400000000, -0.0001254800000000 ] - [ -0.0041550300000000, 0.0037451100000000, 0.0002163300000000 ] - [ 0.0003099300000000, 0.0010741400000000, -0.0000020700000000 ] - [ -0.0001091700000000, 0.0003492500000000, -0.0009492900000000 ] - [ -0.0002359000000000, -0.0012137200000000, 0.0000235100000000 ] - [ -0.0007794100000000, 0.0009030800000000, 0.0015412000000000 ] - [ 0.0006755000000000, 0.0019648000000000, -0.0002843100000000 ] - [ -0.0003746300000000, 0.0020017200000000, -0.0000961700000000 ] - [ -0.0005017900000000, -0.0046803300000000, 0.0005899200000000 ] - [ -0.0002374100000000, -0.0013307000000000, 0.0021320200000000 ] - [ -0.0010290800000000, 0.0078207800000000, -0.0013404400000000 ] - [ -0.0002276500000000, -0.0018113000000000, -0.0011271600000000 ] - [ -0.0000828300000000, 0.0021542800000000, 0.0006291000000000 ] - [ 0.0001572200000000, 0.0021931500000000, 0.0011742500000000 ] - [ -0.0002149600000000, 0.0052801700000000, 0.0001642300000000 ] - [ -0.0004379400000000, 0.0031098200000000, -0.0010841200000000 ] - [ -0.0016464700000000, 0.0039361600000000, 0.0011162600000000 ] - [ 0.0010007300000000, 0.0038246400000000, 0.0002905900000000 ] - [ -0.0067938300000000, -0.1472550700000000, -0.0039609500000000 ] - [ 0.0001781100000000, 0.0025248200000000, -0.0001958400000000 ] - [ -0.0005495900000000, -0.0017596800000000, 0.0039940600000000 ] - [ 0.0004518100000000, 0.0024989100000000, -0.0001776600000000 ] - [ -0.0004320300000000, -0.0007869900000000, -0.0071046100000000 ] - [ 0.0089252700000000, 0.0197192400000000, 0.0239311600000000 ] - [ 0.0169896800000000, 0.0006509100000000, -0.0091567300000000 ] - [ -0.0000666100000000, 0.0031040200000000, -0.0000413500000000 ] - [ -0.0056470700000000, -0.0188757500000000, -0.0048551400000000 ] - [ -0.0000987600000000, -0.0050795800000000, 0.0004308800000000 ] - [ 0.0006139300000000, 0.0000579500000000, 0.0014708000000000 ] - [ -0.0140463700000000, -0.0055428600000000, -0.0104981100000000 ] - [ -0.0003678500000000, 0.0044137500000000, -0.0001596400000000 ] - [ -0.0000386400000000, 0.0019004000000000, 0.0000546300000000 ] - [ -0.0009977100000000, -0.0020197500000000, 0.0032958100000000 ] - [ -0.0111684000000000, 0.0092249100000000, 0.0065291500000000 ] - [ -0.0000353000000000, -0.0046814900000000, -0.0006818200000000 ] - [ -0.0002392500000000, 0.0020759100000000, -0.0004115600000000 ] - [ -0.0001746800000000, -0.0016549000000000, -0.0004635500000000 ] - [ -0.0005637000000000, 0.0010088600000000, 0.0007430300000000 ] - [ -0.0031673600000000, 0.0251557400000000, -0.0026431500000000 ] - [ 0.0007629800000000, 0.0022467000000000, -0.0011228000000000 ] - [ -0.0002722900000000, -0.0028235500000000, 0.0002324100000000 ] - [ -0.0008418200000000, 0.0002561100000000, -0.0003761800000000 ] - [ 0.0000153600000000, -0.0004651600000000, -0.0010763800000000 ] - [ 0.0007573300000000, 0.0008734400000000, -0.0013367300000000 ] - [ -0.0002050100000000, 0.0021944500000000, 0.0001488300000000 ] - [ -0.0209542900000000, -0.0195878400000000, 0.0007442000000000 ] - [ 0.0007091500000000, 0.0005715600000000, -0.0002434700000000 ] - [ 0.0008387300000000, -0.0016353200000000, 0.0002563900000000 ] - [ 0.0013470200000000, -0.0038498200000000, -0.0019460700000000 ] - [ -0.0006824000000000, 0.0245711300000000, -0.0271507200000000 ] - [ -0.0007049000000000, 0.0011291700000000, 0.0002960500000000 ] - [ 0.0008909800000000, 0.0024373000000000, -0.0011427600000000 ] - [ -0.0026766100000000, -0.0013511000000000, -0.0010419800000000 ] - [ 0.0000986200000000, 0.0016000900000000, 0.0000077100000000 ] - [ 0.0122009700000000, 0.0063777800000000, 0.0077917400000000 ] - [ -0.0010308400000000, 0.0010965000000000, 0.0012442600000000 ] - [ -0.0006545200000000, 0.0011306100000000, -0.0002093800000000 ] - [ 0.0009999800000000, 0.0020726700000000, 0.0004947200000000 ] - [ -0.0003103800000000, 0.0026894800000000, -0.0001110500000000 ] - [ -0.0001245800000000, 0.0009251000000000, -0.0000272500000000 ] - [ 0.0060278500000000, -0.0023193900000000, 0.0014926600000000 ] - [ 0.0003269700000000, -0.0000919800000000, -0.0003552400000000 ] - [ 0.0002812000000000, -0.0002754500000000, -0.0003458800000000 ] - [ 0.0027383900000000, -0.0022745100000000, -0.0073037800000000 ] - [ -0.0009116900000000, -0.0021047400000000, 0.0004388200000000 ] - [ -0.0004866200000000, -0.0004689300000000, -0.0008117600000000 ] - [ -0.0006687100000000, 0.0011352000000000, 0.0011847800000000 ] - [ 0.0001711200000000, -0.0013139600000000, 0.0001388900000000 ] - [ 0.0010312900000000, -0.0015898800000000, -0.0007072700000000 ] - [ 0.0002409400000000, -0.0013290600000000, -0.0001790700000000 ] - [ 0.0000503100000000, -0.0013153900000000, -0.0003497300000000 ] - [ 0.0011981700000000, -0.0009942100000000, 0.0007970500000000 ] - [ -0.0041979500000000, 0.0010030400000000, -0.0068957800000000 ] - [ 0.0000841100000000, -0.0002463600000000, -0.0005516000000000 ] - [ -0.0006071500000000, -0.0007505700000000, -0.0001176400000000 ] - [ 0.0000015300000000, 0.0012308800000000, -0.0006110600000000 ] - [ -0.0002109300000000, 0.0043831500000000, 0.0027342900000000 ] - [ 0.0002755700000000, 0.0014801800000000, -0.0008434600000000 ] - [ -0.0006791300000000, -0.0003143500000000, 0.0009797100000000 ] - [ 0.0000630000000000, -0.0024327500000000, -0.0000510300000000 ] - [ 0.0003831100000000, 0.0005820200000000, 0.0004079500000000 ] - [ -0.0012206500000000, 0.0029292500000000, -0.0004904600000000 ] - [ 0.0001652900000000, 0.0008748400000000, 0.0000466800000000 ] - [ -0.0004860100000000, 0.0019295700000000, 0.0001702000000000 ] - [ 0.0001954400000000, -0.0013660700000000, 0.0007846400000000 ] - [ -0.0001254400000000, -0.0019164900000000, 0.0002667100000000 ] - [ 0.0008457900000000, -0.0019206300000000, -0.0006530100000000 ] - [ 0.0008902000000000, 0.0022509600000000, 0.0012752700000000 ] - [ 0.0013275400000000, 0.0017991700000000, 0.0034849700000000 ] - [ 0.0058225700000000, -0.0025792000000000, 0.0011006100000000 ] - [ -0.0053235600000000, 0.0167105000000000, 0.0046590500000000 ] - [ -0.0019385400000000, 0.0017722700000000, 0.0043266400000000 ] - [ -0.0004452600000000, -0.0022713600000000, -0.0002012500000000 ] - [ 0.0005157400000000, -0.0012553300000000, 0.0002895300000000 ] - [ 0.0003210600000000, -0.0021191200000000, 0.0004625600000000 ] - [ 0.0005873500000000, -0.0042082300000000, 0.0009459200000000 ] - [ -0.0007032100000000, 0.0000650400000000, 0.0015173900000000 ] - [ -0.0006773700000000, -0.0011226500000000, 0.0004968300000000 ] - [ 0.0067040300000000, 0.0249559700000000, 0.0111818900000000 ] - [ 0.0001984900000000, -0.0020168800000000, -0.0001180200000000 ] - [ -0.0015153700000000, -0.0014212600000000, 0.0005932000000000 ] - [ 0.0012000200000000, 0.0009626900000000, 0.0012087900000000 ] - [ -0.0005321700000000, 0.0001373500000000, 0.0000123700000000 ] - [ 0.0003471700000000, -0.0023159100000000, 0.0003342900000000 ] - [ -0.0002047600000000, -0.0013262500000000, -0.0003843100000000 ] - [ 0.0001993700000000, -0.0005265300000000, -0.0000864200000000 ] - [ -0.0012955600000000, -0.0029079700000000, -0.0000074800000000 ] - [ 0.0026230600000000, 0.0108616600000000, -0.0004759500000000 ] - [ -0.0000212300000000, -0.0014340000000000, -0.0001823900000000 ] - [ -0.0000131700000000, -0.0010836600000000, -0.0003655700000000 ] - [ 0.0015180100000000, 0.0032010700000000, -0.0008672600000000 ] - [ 0.0003636000000000, -0.0010811100000000, -0.0001488000000000 ] - [ 0.0000092900000000, -0.0009320800000000, -0.0006109300000000 ] - [ -0.0008970300000000, -0.0012360700000000, 0.0001667000000000 ] - [ -0.0001710200000000, -0.0014554100000000, -0.0003690400000000 ] - [ 0.0060149100000000, 0.0249882600000000, 0.0001726800000000 ] - [ -0.0000533000000000, -0.0012702000000000, 0.0002936100000000 ] - [ 0.0010926100000000, -0.0004432700000000, 0.0006880600000000 ] - [ 0.0008294400000000, -0.0018387300000000, 0.0005275900000000 ] - [ 0.0003155900000000, 0.0007056900000000, -0.0068760900000000 ] - [ 0.0010324800000000, -0.0020742900000000, 0.0000161300000000 ] - [ 0.0106423500000000, 0.0115104000000000, -0.0050234600000000 ] - [ -0.0037987500000000, -0.0102349100000000, 0.0016551500000000 ] - [ 0.0061011600000000, 0.0136954800000000, 0.0063851100000000 ] - [ -0.0013645300000000, 0.0029994700000000, 0.0010912100000000 ] - [ -0.0008132800000000, 0.0018379000000000, 0.0001411500000000 ] - [ -0.0041705200000000, 0.0031275100000000, -0.0020944700000000 ] - [ 0.0022315200000000, 0.0023213600000000, -0.0003370300000000 ] - [ -0.0014311800000000, -0.0078441200000000, 0.0131199600000000 ] - [ -0.0005376800000000, -0.0026819100000000, -0.0000957900000000 ] - [ -0.0011237800000000, -0.0044698300000000, -0.0007315200000000 ] - [ 0.0003931000000000, -0.0012093600000000, 0.0005611100000000 ] - [ 0.0002776200000000, -0.0006665600000000, -0.0004993100000000 ] - [ -0.0046189900000000, -0.0022592700000000, -0.0001067700000000 ] - [ 0.0002626300000000, -0.0007823800000000, 0.0001203100000000 ] - [ -0.0000433400000000, -0.0008334700000000, 0.0001028600000000 ] - [ 0.0013190000000000, 0.0024020600000000, -0.0014649700000000 ] - [ 0.0006308200000000, 0.0025661800000000, 0.0005502800000000 ] - [ 0.0010678300000000, -0.0054928000000000, -0.0009180700000000 ] - [ -0.0000826500000000, 0.0006494900000000, -0.0015053200000000 ] - [ 0.0000706500000000, 0.0001701200000000, 0.0007934300000000 ] - [ -0.0048095400000000, 0.0131593800000000, -0.0029488500000000 ] - [ -0.0000777800000000, -0.0006555000000000, -0.0003997100000000 ] - [ -0.0001515400000000, -0.0023209900000000, 0.0003614600000000 ] - [ 0.0003845300000000, -0.0003012000000000, 0.0001190300000000 ] - [ 0.0001069400000000, -0.0012548100000000, 0.0001170600000000 ] - [ 0.0006330300000000, -0.0018070200000000, -0.0002253700000000 ] - [ 0.0002323800000000, -0.0013191700000000, -0.0009173500000000 ] - [ -0.0001680300000000, -0.0013177900000000, 0.0024503500000000 ] - [ 0.0003118100000000, -0.0013236000000000, -0.0000581100000000 ] - [ 0.0061576400000000, -0.0082202700000000, 0.0008613200000000 ] - [ -0.0029730100000000, 0.0039537500000000, 0.0003955900000000 ] - [ -0.0006023100000000, 0.0024925900000000, -0.0001682100000000 ] - [ -0.0007885700000000, 0.0029986100000000, -0.0001184100000000 ] - [ -0.0002984400000000, 0.0081309400000000, -0.0010883000000000 ] - [ -0.0005869600000000, -0.0024672600000000, -0.0012546600000000 ] - [ 0.0054919600000000, 0.0038635000000000, -0.0003062600000000 ] - [ -0.0006214400000000, -0.0019622200000000, -0.0004493500000000 ]- atom: 37 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000944100000000, -0.0021201700000000, 0.0007111000000000 ] - [ -0.0005707100000000, -0.0008481900000000, 0.0007451200000000 ] - [ -0.0000375900000000, 0.0053581300000000, 0.0013836400000000 ] - [ -0.0003680300000000, -0.0006647900000000, -0.0003833200000000 ] - [ 0.0006682000000000, -0.0020244600000000, -0.0007826200000000 ] - [ -0.0001404300000000, 0.0002911600000000, -0.0001064400000000 ] - [ -0.0008110900000000, -0.0017733200000000, -0.0004428900000000 ] - [ -0.0015502900000000, 0.0042903200000000, 0.0016948800000000 ] - [ -0.0026988400000000, -0.0023159000000000, 0.0004515200000000 ] - [ -0.0000051100000000, -0.0005641100000000, -0.0007365100000000 ] - [ -0.0000653800000000, -0.0003701600000000, 0.0004854100000000 ] - [ 0.0000382600000000, -0.0008580000000000, 0.0001227300000000 ] - [ 0.0004449700000000, -0.0013278600000000, 0.0000032800000000 ] - [ 0.0000559900000000, -0.0006036500000000, -0.0004040200000000 ] - [ 0.0003190500000000, -0.0005316400000000, 0.0007109500000000 ] - [ -0.0003529300000000, -0.0011193600000000, 0.0000968700000000 ] - [ 0.0003019500000000, -0.0032916400000000, -0.0051001200000000 ] - [ -0.0002524500000000, 0.0026689100000000, 0.0004864700000000 ] - [ -0.0003687300000000, -0.0006110600000000, -0.0000950900000000 ] - [ 0.0042522400000000, -0.0032826700000000, -0.0001647200000000 ] - [ 0.0003081500000000, -0.0010636400000000, -0.0001423300000000 ] - [ 0.0000174800000000, 0.0003207100000000, 0.0006745100000000 ] - [ -0.0003805500000000, 0.0012218500000000, 0.0001198800000000 ] - [ 0.0009652800000000, -0.0006898400000000, -0.0013533600000000 ] - [ -0.0001648700000000, -0.0022926700000000, 0.0011855900000000 ] - [ 0.0004583300000000, -0.0024826900000000, 0.0003752000000000 ] - [ 0.0001081900000000, 0.0036480200000000, 0.0000735600000000 ] - [ -0.0002725700000000, 0.0010148400000000, -0.0030290800000000 ] - [ 0.0009482900000000, -0.0073629400000000, 0.0010654500000000 ] - [ 0.0004123300000000, 0.0021231800000000, 0.0002713900000000 ] - [ -0.0000999700000000, -0.0018305300000000, 0.0002296100000000 ] - [ -0.0000447200000000, -0.0018178600000000, -0.0011015800000000 ] - [ -0.0001758400000000, -0.0042527500000000, 0.0005017600000000 ] - [ -0.0000691800000000, -0.0027762500000000, 0.0001806300000000 ] - [ 0.0015237800000000, -0.0043058200000000, -0.0011866100000000 ] - [ -0.0008125200000000, -0.0041442200000000, -0.0011435400000000 ] - [ 0.0067984200000000, 0.1464628000000000, 0.0043257800000000 ] - [ 0.0002095900000000, -0.0035482200000000, -0.0004747100000000 ] - [ 0.0004649800000000, 0.0012872300000000, -0.0042668400000000 ] - [ -0.0000773200000000, -0.0026838200000000, 0.0000765700000000 ] - [ 0.0003119300000000, 0.0011457000000000, 0.0070046200000000 ] - [ -0.0083210400000000, -0.0192071000000000, -0.0227667900000000 ] - [ -0.0170209800000000, -0.0009527600000000, 0.0092950300000000 ] - [ -0.0003093000000000, -0.0029180800000000, 0.0001452700000000 ] - [ 0.0052883600000000, 0.0186584000000000, 0.0049900500000000 ] - [ 0.0004998300000000, 0.0061086100000000, -0.0011240000000000 ] - [ -0.0005203600000000, 0.0003967500000000, -0.0011854100000000 ] - [ 0.0139454100000000, 0.0052941400000000, 0.0113633200000000 ] - [ 0.0000388200000000, -0.0048818200000000, 0.0001108700000000 ] - [ 0.0001028400000000, -0.0015204500000000, 0.0001082800000000 ] - [ 0.0014294100000000, 0.0020893900000000, -0.0039834600000000 ] - [ 0.0115040900000000, -0.0093473600000000, -0.0059962200000000 ] - [ 0.0004472600000000, 0.0053532100000000, 0.0004574600000000 ] - [ -0.0001742600000000, -0.0014017800000000, 0.0006399100000000 ] - [ 0.0005059400000000, 0.0011943400000000, 0.0005130700000000 ] - [ 0.0008547900000000, -0.0017781800000000, -0.0012008200000000 ] - [ 0.0032151900000000, -0.0247554300000000, 0.0025457900000000 ] - [ -0.0003534800000000, -0.0029203100000000, 0.0008947100000000 ] - [ 0.0002099200000000, 0.0032031500000000, -0.0003939000000000 ] - [ 0.0008122400000000, -0.0008696600000000, 0.0005904900000000 ] - [ -0.0003016400000000, 0.0006035000000000, 0.0005359400000000 ] - [ -0.0004644800000000, -0.0007306000000000, 0.0018865200000000 ] - [ 0.0001763100000000, -0.0015951400000000, 0.0000658400000000 ] - [ 0.0205159900000000, 0.0186728900000000, -0.0005877000000000 ] - [ -0.0009999500000000, -0.0007150200000000, -0.0002987100000000 ] - [ -0.0005818500000000, 0.0013683100000000, -0.0004025000000000 ] - [ -0.0016102300000000, 0.0041299200000000, 0.0020883100000000 ] - [ 0.0008871200000000, -0.0235318900000000, 0.0263512600000000 ] - [ 0.0004126500000000, -0.0003578300000000, 0.0001641600000000 ] - [ -0.0006355100000000, -0.0021742900000000, 0.0009999400000000 ] - [ 0.0022464400000000, 0.0012777900000000, 0.0017420700000000 ] - [ 0.0002297700000000, -0.0011169300000000, 0.0000401300000000 ] - [ -0.0125202600000000, -0.0070958300000000, -0.0074035500000000 ] - [ 0.0005920800000000, -0.0010169900000000, -0.0005468200000000 ] - [ 0.0010934500000000, -0.0012098800000000, -0.0004914700000000 ] - [ -0.0012572700000000, -0.0023345600000000, -0.0003604100000000 ] - [ 0.0002485400000000, -0.0030712400000000, -0.0000516800000000 ] - [ 0.0001543200000000, -0.0015249400000000, -0.0001868600000000 ] - [ -0.0060206200000000, 0.0018591400000000, -0.0013012100000000 ] - [ -0.0006560700000000, 0.0005658200000000, 0.0003059800000000 ] - [ 0.0002419500000000, 0.0010577800000000, 0.0004060800000000 ] - [ -0.0028657400000000, 0.0022394100000000, 0.0081370300000000 ] - [ 0.0003462400000000, 0.0019082200000000, 0.0000252200000000 ] - [ 0.0001933400000000, 0.0012173800000000, 0.0005699500000000 ] - [ 0.0007470600000000, -0.0012052300000000, -0.0005184300000000 ] - [ 0.0002946000000000, 0.0013844900000000, 0.0000520200000000 ] - [ -0.0005702200000000, 0.0015032800000000, 0.0004632900000000 ] - [ -0.0007849000000000, 0.0014105900000000, -0.0000269700000000 ] - [ -0.0004325300000000, 0.0012355900000000, 0.0007297600000000 ] - [ -0.0006802000000000, 0.0001978200000000, -0.0007365300000000 ] - [ 0.0044110800000000, -0.0008837400000000, 0.0071829700000000 ] - [ -0.0003378600000000, 0.0013135000000000, 0.0009026000000000 ] - [ 0.0001238900000000, 0.0012539900000000, 0.0009545200000000 ] - [ 0.0005734900000000, -0.0012541000000000, 0.0012080600000000 ] - [ 0.0000625300000000, -0.0055592500000000, -0.0023998000000000 ] - [ -0.0000509000000000, -0.0025855100000000, 0.0004745800000000 ] - [ 0.0009712300000000, 0.0010711600000000, -0.0007323900000000 ] - [ 0.0000877000000000, 0.0012414800000000, -0.0002840600000000 ] - [ -0.0007669100000000, -0.0005071400000000, -0.0000289200000000 ] - [ 0.0008187300000000, -0.0020550700000000, 0.0004385000000000 ] - [ -0.0000317600000000, -0.0008494700000000, -0.0009056900000000 ] - [ -0.0000889800000000, -0.0019045700000000, -0.0007604400000000 ] - [ 0.0003824900000000, 0.0013952100000000, -0.0001918200000000 ] - [ -0.0000999900000000, 0.0008104300000000, 0.0001006700000000 ] - [ -0.0005924300000000, 0.0008586100000000, 0.0003014100000000 ] - [ -0.0011582500000000, -0.0021279600000000, -0.0010710000000000 ] - [ -0.0018028600000000, -0.0017383000000000, -0.0036826500000000 ] - [ -0.0053280500000000, 0.0030580800000000, -0.0019329300000000 ] - [ 0.0061140400000000, -0.0170993900000000, -0.0050837400000000 ] - [ 0.0016202200000000, -0.0012323300000000, -0.0037487200000000 ] - [ 0.0001164200000000, 0.0017230600000000, 0.0007964700000000 ] - [ 0.0000316600000000, 0.0011719200000000, -0.0000850500000000 ] - [ 0.0000090500000000, 0.0026648500000000, -0.0010510000000000 ] - [ -0.0005052800000000, 0.0042777000000000, -0.0002818500000000 ] - [ 0.0002160300000000, -0.0005641800000000, -0.0006781200000000 ] - [ 0.0009412500000000, 0.0012353500000000, -0.0007032500000000 ] - [ -0.0065333500000000, -0.0250810500000000, -0.0115451300000000 ] - [ 0.0001194600000000, 0.0021208300000000, 0.0004511800000000 ] - [ 0.0012226800000000, 0.0006586000000000, -0.0008391800000000 ] - [ -0.0008827800000000, -0.0010521200000000, -0.0008800500000000 ] - [ 0.0000082500000000, 0.0006524300000000, -0.0000727600000000 ] - [ -0.0006378100000000, 0.0020931600000000, -0.0000007300000000 ] - [ -0.0001131300000000, 0.0012203900000000, 0.0000509600000000 ] - [ 0.0000020000000000, 0.0008495100000000, 0.0002064400000000 ] - [ 0.0008960200000000, 0.0020360700000000, -0.0000440700000000 ] - [ -0.0023599300000000, -0.0097282700000000, -0.0000411100000000 ] - [ -0.0000580000000000, 0.0013550200000000, -0.0004793900000000 ] - [ -0.0002356700000000, 0.0012204800000000, 0.0000721500000000 ] - [ -0.0005649800000000, -0.0030507600000000, 0.0009895200000000 ] - [ 0.0005762600000000, 0.0016479200000000, 0.0000213500000000 ] - [ -0.0004770700000000, 0.0008591400000000, 0.0004201500000000 ] - [ 0.0006336400000000, 0.0011236700000000, 0.0000360100000000 ] - [ -0.0000304100000000, 0.0011353500000000, 0.0002479300000000 ] - [ -0.0060244100000000, -0.0237851000000000, -0.0003795000000000 ] - [ -0.0008975900000000, 0.0014215800000000, -0.0004191500000000 ] - [ -0.0008366400000000, 0.0015186600000000, -0.0010355800000000 ] - [ 0.0001256200000000, 0.0016848300000000, -0.0004016400000000 ] - [ 0.0000694500000000, -0.0007718400000000, 0.0064648900000000 ] - [ -0.0008131600000000, 0.0031828300000000, -0.0003834800000000 ] - [ -0.0116486100000000, -0.0112631000000000, 0.0051208200000000 ] - [ 0.0035633300000000, 0.0091918500000000, -0.0013320600000000 ] - [ -0.0068094400000000, -0.0132211500000000, -0.0070017600000000 ] - [ 0.0012808900000000, -0.0029487900000000, -0.0017496600000000 ] - [ 0.0002465000000000, -0.0016379100000000, 0.0003249000000000 ] - [ 0.0039353900000000, -0.0019725100000000, 0.0024401700000000 ] - [ -0.0017803700000000, -0.0022428300000000, 0.0000968000000000 ] - [ 0.0012239900000000, 0.0076689100000000, -0.0126413300000000 ] - [ -0.0004036300000000, 0.0021157700000000, 0.0002232900000000 ] - [ 0.0005975800000000, 0.0036736000000000, 0.0006701000000000 ] - [ -0.0001462600000000, 0.0010707800000000, -0.0002702300000000 ] - [ -0.0000447800000000, 0.0005146800000000, 0.0000649200000000 ] - [ 0.0048793000000000, 0.0023834400000000, -0.0003068800000000 ] - [ 0.0002188800000000, 0.0002780900000000, -0.0009631100000000 ] - [ 0.0004474200000000, 0.0017083400000000, -0.0000505200000000 ] - [ -0.0017717600000000, -0.0024805700000000, 0.0017068900000000 ] - [ -0.0009221500000000, -0.0023420700000000, -0.0002182000000000 ] - [ -0.0007685500000000, 0.0047251400000000, 0.0011521100000000 ] - [ 0.0005496200000000, -0.0007164900000000, 0.0016920500000000 ] - [ 0.0002568900000000, -0.0007135900000000, -0.0013756500000000 ] - [ 0.0051797500000000, -0.0132648800000000, 0.0026363100000000 ] - [ 0.0002116900000000, 0.0006386400000000, -0.0004561100000000 ] - [ 0.0000033900000000, 0.0035106200000000, -0.0000271700000000 ] - [ -0.0005837400000000, 0.0006337500000000, -0.0002400700000000 ] - [ 0.0002741500000000, 0.0013312600000000, -0.0004947600000000 ] - [ -0.0010931800000000, 0.0018914800000000, 0.0004706700000000 ] - [ -0.0004645300000000, 0.0014712200000000, 0.0013491700000000 ] - [ 0.0000338900000000, 0.0013376700000000, -0.0016045400000000 ] - [ -0.0000236400000000, 0.0015457800000000, -0.0002758900000000 ] - [ -0.0059862100000000, 0.0079243700000000, -0.0007565400000000 ] - [ 0.0039463500000000, -0.0045183600000000, -0.0005237100000000 ] - [ -0.0003371500000000, -0.0019236500000000, 0.0002959000000000 ] - [ 0.0013583000000000, -0.0032032200000000, -0.0003309400000000 ] - [ 0.0000557800000000, -0.0090856300000000, 0.0014435000000000 ] - [ 0.0000092600000000, 0.0024413800000000, 0.0006687800000000 ] - [ -0.0051194000000000, -0.0046784700000000, 0.0003788200000000 ] - [ 0.0011903700000000, 0.0021595600000000, -0.0000103100000000 ]- atom: 37 displacement: [ -0.0035230240541542, 0.0000000000000000, 0.0093588621911988 ] forces: - [ 0.0000596400000000, -0.0009856300000000, 0.0000568400000000 ] - [ -0.0002939600000000, -0.0005395200000000, 0.0005363000000000 ] - [ 0.0016803000000000, -0.0010499600000000, 0.0108000400000000 ] - [ 0.0002621700000000, 0.0000433400000000, 0.0007105000000000 ] - [ 0.0000410000000000, 0.0010392500000000, -0.0010602300000000 ] - [ -0.0001906200000000, -0.0000462000000000, 0.0011601500000000 ] - [ -0.0003968700000000, 0.0000901200000000, -0.0010075700000000 ] - [ -0.0043850400000000, -0.0026621100000000, 0.0051815500000000 ] - [ -0.0010315100000000, -0.0012277900000000, -0.0009723700000000 ] - [ -0.0005052600000000, 0.0009522800000000, -0.0000724000000000 ] - [ -0.0000476800000000, 0.0000510600000000, -0.0001572200000000 ] - [ 0.0000390900000000, -0.0002974900000000, 0.0005132600000000 ] - [ 0.0004514300000000, -0.0001569100000000, 0.0002604200000000 ] - [ 0.0000586900000000, 0.0003596000000000, 0.0005168500000000 ] - [ 0.0001487500000000, -0.0003386300000000, 0.0005284600000000 ] - [ -0.0003117500000000, 0.0000404000000000, -0.0002226500000000 ] - [ 0.0002741300000000, 0.0047040400000000, 0.0029600700000000 ] - [ -0.0026713600000000, -0.0012247400000000, -0.0031341200000000 ] - [ -0.0004041100000000, 0.0001987200000000, 0.0001852200000000 ] - [ 0.0003870400000000, 0.0009470200000000, -0.0031662700000000 ] - [ 0.0003153400000000, 0.0001358400000000, -0.0001664500000000 ] - [ 0.0001745900000000, -0.0000989600000000, 0.0011160900000000 ] - [ -0.0000467000000000, -0.0000687000000000, 0.0015977800000000 ] - [ -0.0005146700000000, 0.0020533100000000, 0.0018967800000000 ] - [ -0.0000716700000000, -0.0008409500000000, 0.0010016100000000 ] - [ 0.0003324100000000, -0.0011353500000000, 0.0007429500000000 ] - [ -0.0015921100000000, -0.0006674300000000, 0.0062143000000000 ] - [ 0.0007732600000000, 0.0016285100000000, 0.0037653900000000 ] - [ 0.0009353500000000, -0.0025418600000000, -0.0004330100000000 ] - [ 0.0003928100000000, -0.0008838900000000, 0.0022307800000000 ] - [ -0.0001834200000000, 0.0009475400000000, 0.0012857700000000 ] - [ 0.0001122500000000, 0.0014703100000000, 0.0010955200000000 ] - [ -0.0000588400000000, 0.0005459400000000, -0.0008516000000000 ] - [ -0.0006948400000000, -0.0006605400000000, -0.0014971700000000 ] - [ -0.0002837300000000, 0.0010248300000000, -0.0006119900000000 ] - [ 0.0001076500000000, 0.0003819900000000, -0.0008570300000000 ] - [ 0.0415259900000000, -0.0012188900000000, -0.1204731100000000 ] - [ 0.0002484300000000, -0.0002013200000000, -0.0007439600000000 ] - [ -0.0014118300000000, 0.0007913400000000, 0.0068435100000000 ] - [ 0.0000962200000000, 0.0001164100000000, 0.0008985900000000 ] - [ -0.0002457500000000, -0.0027808800000000, 0.0053456600000000 ] - [ 0.0117785500000000, 0.0153094200000000, -0.0061966500000000 ] - [ -0.0105275800000000, -0.0169192600000000, 0.0007951200000000 ] - [ -0.0002750200000000, 0.0002227700000000, 0.0004783800000000 ] - [ 0.0104571000000000, -0.0027593100000000, 0.0099459300000000 ] - [ -0.0035066800000000, -0.0006020000000000, 0.0041040500000000 ] - [ -0.0026737500000000, 0.0035307100000000, -0.0019330800000000 ] - [ 0.0075952300000000, -0.0024607300000000, -0.0135904400000000 ] - [ 0.0007246000000000, 0.0006311700000000, -0.0003407400000000 ] - [ 0.0000665300000000, 0.0001135400000000, 0.0001293500000000 ] - [ 0.0013646600000000, 0.0000472800000000, 0.0032699200000000 ] - [ -0.0180936000000000, 0.0113126800000000, 0.0069472600000000 ] - [ -0.0007484300000000, 0.0029167800000000, 0.0028691900000000 ] - [ -0.0002737500000000, 0.0002693500000000, 0.0001955400000000 ] - [ -0.0015761500000000, -0.0021503600000000, -0.0006841600000000 ] - [ 0.0000994400000000, 0.0001668700000000, 0.0007449000000000 ] - [ 0.0035564000000000, -0.0131840800000000, -0.0002495100000000 ] - [ 0.0000200500000000, -0.0004410100000000, -0.0001300200000000 ] - [ 0.0003597400000000, 0.0002773700000000, 0.0002651400000000 ] - [ 0.0007633900000000, -0.0021251500000000, 0.0003312600000000 ] - [ 0.0004239600000000, -0.0011157700000000, -0.0037775500000000 ] - [ 0.0001579800000000, -0.0001726900000000, 0.0015381100000000 ] - [ -0.0003974300000000, 0.0012289600000000, 0.0001301300000000 ] - [ -0.0254990300000000, 0.0112319600000000, 0.0119798700000000 ] - [ -0.0000291600000000, -0.0000837500000000, 0.0004971500000000 ] - [ 0.0002244800000000, 0.0007317800000000, 0.0025969900000000 ] - [ 0.0005923500000000, -0.0000283200000000, 0.0043119400000000 ] - [ -0.0054001000000000, -0.0187381600000000, 0.0058241400000000 ] - [ -0.0001823100000000, 0.0007069100000000, 0.0009508000000000 ] - [ 0.0000834400000000, 0.0002263100000000, -0.0007693100000000 ] - [ 0.0000096100000000, -0.0008331100000000, 0.0036359700000000 ] - [ 0.0003819300000000, 0.0013093700000000, -0.0000489400000000 ] - [ 0.0126590200000000, 0.0104564400000000, -0.0034656600000000 ] - [ -0.0004998900000000, 0.0001484300000000, -0.0003299600000000 ] - [ 0.0001927800000000, -0.0003426500000000, -0.0011749400000000 ] - [ -0.0000128600000000, 0.0007759700000000, -0.0015872800000000 ] - [ 0.0000544400000000, -0.0005332000000000, -0.0001212500000000 ] - [ -0.0004389700000000, 0.0007255300000000, 0.0001032200000000 ] - [ 0.0071368100000000, 0.0045140600000000, -0.0010051000000000 ] - [ -0.0009067000000000, -0.0004059900000000, 0.0002844800000000 ] - [ 0.0000022200000000, -0.0004270500000000, -0.0002870400000000 ] - [ 0.0041301400000000, -0.0036582700000000, -0.0073523800000000 ] - [ -0.0001656200000000, -0.0001078000000000, 0.0007090500000000 ] - [ -0.0004655700000000, -0.0008374600000000, -0.0008177100000000 ] - [ 0.0008561300000000, 0.0002577500000000, -0.0015912900000000 ] - [ 0.0003241100000000, 0.0001639800000000, 0.0009108100000000 ] - [ 0.0003655500000000, -0.0001491100000000, 0.0001700300000000 ] - [ -0.0002218000000000, -0.0001540100000000, -0.0005413900000000 ] - [ -0.0000746000000000, -0.0003024700000000, 0.0013199200000000 ] - [ 0.0014309700000000, 0.0002875100000000, 0.0007414700000000 ] - [ -0.0042156400000000, -0.0029119800000000, -0.0030075900000000 ] - [ 0.0000251900000000, -0.0006597500000000, -0.0008437600000000 ] - [ -0.0004063900000000, 0.0000298800000000, 0.0000469300000000 ] - [ 0.0006603700000000, -0.0006625900000000, -0.0021067300000000 ] - [ -0.0001433200000000, 0.0000849200000000, -0.0045064900000000 ] - [ 0.0001948100000000, -0.0006931500000000, -0.0012712600000000 ] - [ 0.0007967800000000, 0.0011835000000000, -0.0004598800000000 ] - [ 0.0001358200000000, -0.0008050500000000, -0.0004796800000000 ] - [ -0.0000754400000000, 0.0005006800000000, -0.0033646600000000 ] - [ 0.0015119200000000, -0.0000198000000000, -0.0028888500000000 ] - [ 0.0002459800000000, 0.0002130800000000, 0.0035744200000000 ] - [ -0.0006428800000000, 0.0004380200000000, -0.0050900500000000 ] - [ 0.0003226500000000, 0.0001368700000000, 0.0008145000000000 ] - [ -0.0001431100000000, -0.0004495100000000, 0.0000515000000000 ] - [ 0.0004934100000000, -0.0019222000000000, 0.0001710000000000 ] - [ -0.0029354300000000, 0.0013829100000000, 0.0015844100000000 ] - [ -0.0026651600000000, 0.0012909900000000, -0.0012355900000000 ] - [ 0.0092740600000000, -0.0045006700000000, 0.0054463500000000 ] - [ -0.0095951200000000, 0.0026993900000000, 0.0169855100000000 ] - [ 0.0006845400000000, 0.0008669600000000, -0.0027617400000000 ] - [ -0.0002817000000000, -0.0018576200000000, 0.0009096000000000 ] - [ 0.0003351000000000, -0.0000254100000000, -0.0003580400000000 ] - [ 0.0001708600000000, 0.0001277600000000, 0.0005276100000000 ] - [ -0.0000772800000000, -0.0010074700000000, 0.0006652600000000 ] - [ 0.0007810700000000, 0.0008033000000000, 0.0010057700000000 ] - [ 0.0003325200000000, 0.0001751500000000, -0.0007637200000000 ] - [ 0.0019712700000000, 0.0076191600000000, 0.0214201900000000 ] - [ 0.0002365000000000, -0.0007361400000000, 0.0001875900000000 ] - [ 0.0017705900000000, 0.0017543600000000, 0.0002251900000000 ] - [ -0.0009139000000000, 0.0021713200000000, -0.0014819700000000 ] - [ 0.0002300000000000, 0.0008043500000000, -0.0005453600000000 ] - [ -0.0002641700000000, 0.0000346000000000, 0.0002372700000000 ] - [ -0.0000752300000000, -0.0009208300000000, -0.0003970400000000 ] - [ 0.0005198700000000, -0.0006550800000000, -0.0006529100000000 ] - [ -0.0000071600000000, 0.0001049900000000, 0.0003160100000000 ] - [ -0.0031792800000000, 0.0022105500000000, 0.0166398000000000 ] - [ 0.0000057100000000, -0.0009322400000000, -0.0002411900000000 ] - [ -0.0001665000000000, -0.0000163300000000, -0.0009419500000000 ] - [ -0.0003079500000000, -0.0012801100000000, -0.0022060100000000 ] - [ 0.0004672300000000, 0.0002987800000000, -0.0001403500000000 ] - [ -0.0000193800000000, -0.0004776200000000, 0.0001575100000000 ] - [ -0.0000633300000000, -0.0000590200000000, -0.0002466200000000 ] - [ 0.0002318800000000, -0.0011535100000000, -0.0000729900000000 ] - [ -0.0059558400000000, 0.0018208400000000, 0.0099112400000000 ] - [ -0.0003916800000000, 0.0002150300000000, -0.0002767600000000 ] - [ -0.0002780600000000, 0.0017984900000000, -0.0006933500000000 ] - [ 0.0006189900000000, 0.0001147000000000, 0.0001968900000000 ] - [ -0.0008836100000000, -0.0015360800000000, -0.0026829800000000 ] - [ -0.0002888000000000, 0.0009547400000000, 0.0000282700000000 ] - [ -0.0019792500000000, -0.0086672200000000, 0.0033836900000000 ] - [ 0.0004090600000000, 0.0059113200000000, 0.0000090900000000 ] - [ -0.0023101000000000, 0.0009819100000000, 0.0096241700000000 ] - [ 0.0027859100000000, 0.0022042500000000, -0.0006612300000000 ] - [ -0.0001356800000000, -0.0001769000000000, -0.0019587600000000 ] - [ -0.0021257300000000, -0.0027885800000000, 0.0014301400000000 ] - [ 0.0011206400000000, 0.0008043800000000, -0.0019172200000000 ] - [ 0.0019550600000000, 0.0036721200000000, -0.0033593300000000 ] - [ -0.0005069800000000, -0.0000454400000000, 0.0002693700000000 ] - [ -0.0009531200000000, -0.0013879000000000, 0.0009855500000000 ] - [ 0.0000109500000000, -0.0000315800000000, -0.0003364900000000 ] - [ 0.0001154200000000, -0.0002845300000000, -0.0011669900000000 ] - [ -0.0030987000000000, -0.0038011200000000, 0.0096882600000000 ] - [ 0.0001375300000000, -0.0002644200000000, -0.0013219100000000 ] - [ 0.0002005800000000, 0.0005981900000000, -0.0000597300000000 ] - [ 0.0004336300000000, -0.0003311600000000, -0.0027007700000000 ] - [ -0.0013083800000000, 0.0003236500000000, -0.0011738900000000 ] - [ -0.0003731200000000, -0.0029543100000000, 0.0012339900000000 ] - [ -0.0007018400000000, -0.0000383400000000, -0.0027842900000000 ] - [ 0.0002030600000000, -0.0008993500000000, -0.0028011500000000 ] - [ -0.0067327600000000, 0.0000201500000000, 0.0078332300000000 ] - [ 0.0000384100000000, 0.0000706100000000, -0.0013154600000000 ] - [ -0.0000022100000000, 0.0004603100000000, 0.0000572700000000 ] - [ -0.0007437800000000, 0.0010620900000000, -0.0002678600000000 ] - [ 0.0002971500000000, 0.0005133400000000, 0.0001917800000000 ] - [ -0.0004145500000000, 0.0002906400000000, 0.0006439900000000 ] - [ -0.0000550100000000, -0.0007873800000000, -0.0004032100000000 ] - [ -0.0001599600000000, 0.0005606100000000, -0.0007728700000000 ] - [ 0.0000723500000000, 0.0001028200000000, -0.0003498400000000 ] - [ -0.0053745800000000, 0.0044827300000000, 0.0018074400000000 ] - [ -0.0031882900000000, 0.0002809000000000, 0.0006421800000000 ] - [ -0.0005033100000000, 0.0006450000000000, -0.0016789300000000 ] - [ 0.0008721300000000, 0.0006588700000000, -0.0036622500000000 ] - [ -0.0048222800000000, 0.0005167400000000, 0.0104297100000000 ] - [ -0.0004034000000000, 0.0001071000000000, 0.0013289700000000 ] - [ 0.0120695200000000, -0.0049754600000000, -0.0043740800000000 ] - [ 0.0002134800000000, -0.0003125400000000, 0.0003191600000000 ]- atom: 37 displacement: [ 0.0035230240541542, 0.0000000000000000, -0.0093588621911988 ] forces: - [ 0.0001300200000000, 0.0007662100000000, 0.0001307900000000 ] - [ 0.0001669200000000, 0.0009743200000000, -0.0005931000000000 ] - [ -0.0010354800000000, 0.0010302800000000, -0.0108361300000000 ] - [ -0.0001702300000000, -0.0007072200000000, -0.0004328700000000 ] - [ -0.0001332700000000, -0.0017029300000000, 0.0007806700000000 ] - [ -0.0000008500000000, -0.0001697300000000, -0.0013451000000000 ] - [ 0.0002073000000000, 0.0001228700000000, 0.0008211700000000 ] - [ 0.0052998100000000, 0.0030256000000000, -0.0050011800000000 ] - [ 0.0010800000000000, 0.0011195200000000, 0.0008617600000000 ] - [ 0.0004477000000000, -0.0008482500000000, 0.0001860300000000 ] - [ 0.0001387900000000, 0.0006126900000000, 0.0004379200000000 ] - [ 0.0000872600000000, -0.0001407400000000, -0.0004552700000000 ] - [ 0.0004159100000000, -0.0001797500000000, -0.0000441300000000 ] - [ 0.0000001300000000, -0.0002546000000000, -0.0006304000000000 ] - [ -0.0002067900000000, 0.0002333500000000, -0.0004152200000000 ] - [ -0.0003054600000000, -0.0000512800000000, 0.0003680600000000 ] - [ -0.0004038900000000, -0.0051736200000000, -0.0030266100000000 ] - [ 0.0018004600000000, 0.0008893600000000, 0.0029122800000000 ] - [ -0.0004631600000000, 0.0001357900000000, -0.0004022000000000 ] - [ -0.0002476500000000, -0.0005173200000000, 0.0032123400000000 ] - [ 0.0003017600000000, -0.0001274900000000, 0.0000210900000000 ] - [ -0.0002646200000000, 0.0007594700000000, -0.0013931500000000 ] - [ -0.0005716700000000, 0.0000802700000000, -0.0014516000000000 ] - [ 0.0007014900000000, -0.0018306800000000, -0.0017088600000000 ] - [ 0.0005949100000000, 0.0005203700000000, -0.0000778200000000 ] - [ -0.0002618600000000, 0.0006599600000000, -0.0004520300000000 ] - [ 0.0012185400000000, -0.0003497300000000, -0.0055421600000000 ] - [ -0.0013019900000000, -0.0019483400000000, -0.0046720600000000 ] - [ -0.0010029300000000, 0.0030087300000000, 0.0001427300000000 ] - [ -0.0002003300000000, 0.0012013900000000, -0.0030940800000000 ] - [ -0.0000021800000000, -0.0006376000000000, -0.0004119400000000 ] - [ 0.0000042100000000, -0.0010997000000000, -0.0010073600000000 ] - [ -0.0003129400000000, 0.0004741700000000, 0.0015149000000000 ] - [ 0.0001679700000000, 0.0009770700000000, 0.0005762600000000 ] - [ 0.0001691600000000, -0.0014020500000000, 0.0005198900000000 ] - [ 0.0000755700000000, -0.0007007700000000, -0.0000179100000000 ] - [ -0.0403757900000000, 0.0017652400000000, 0.1203031500000000 ] - [ 0.0001232000000000, -0.0008273000000000, 0.0000812800000000 ] - [ 0.0013481800000000, -0.0012719600000000, -0.0071244800000000 ] - [ 0.0003020400000000, -0.0003017200000000, -0.0009828300000000 ] - [ 0.0001250500000000, 0.0031760100000000, -0.0054105000000000 ] - [ -0.0111891200000000, -0.0149803400000000, 0.0070000500000000 ] - [ 0.0105864700000000, 0.0164565900000000, -0.0007211400000000 ] - [ -0.0001249600000000, -0.0000430000000000, -0.0003938100000000 ] - [ -0.0108974400000000, 0.0026089600000000, -0.0098340300000000 ] - [ 0.0038537700000000, 0.0016268100000000, -0.0047712000000000 ] - [ 0.0027188700000000, -0.0030507100000000, 0.0022135900000000 ] - [ -0.0078098000000000, 0.0021959500000000, 0.0144187900000000 ] - [ -0.0010354300000000, -0.0011145900000000, 0.0002853500000000 ] - [ 0.0000042900000000, 0.0002811000000000, 0.0000395700000000 ] - [ -0.0009002900000000, 0.0000327100000000, -0.0039626700000000 ] - [ 0.0184491500000000, -0.0114779800000000, -0.0063829200000000 ] - [ 0.0011590200000000, -0.0022729100000000, -0.0031231300000000 ] - [ -0.0001466900000000, 0.0003901300000000, 0.0000446000000000 ] - [ 0.0018848900000000, 0.0016698100000000, 0.0007365500000000 ] - [ 0.0002013500000000, -0.0009481400000000, -0.0012004300000000 ] - [ -0.0035202100000000, 0.0137541500000000, 0.0000414800000000 ] - [ 0.0004001900000000, -0.0002236000000000, -0.0001085200000000 ] - [ -0.0004215000000000, 0.0001185800000000, -0.0004312400000000 ] - [ -0.0007909600000000, 0.0015090800000000, -0.0001129300000000 ] - [ -0.0007101500000000, 0.0012444200000000, 0.0032348800000000 ] - [ 0.0001344600000000, 0.0003040600000000, -0.0009920500000000 ] - [ 0.0003624000000000, -0.0006163100000000, 0.0000863100000000 ] - [ 0.0248307800000000, -0.0117502000000000, -0.0116384500000000 ] - [ -0.0002640500000000, -0.0000487100000000, -0.0010431400000000 ] - [ 0.0000236800000000, -0.0009820900000000, -0.0027390000000000 ] - [ -0.0008455800000000, 0.0002846000000000, -0.0041595200000000 ] - [ 0.0056672100000000, 0.0196259400000000, -0.0061758200000000 ] - [ -0.0001183600000000, 0.0000725500000000, -0.0004961000000000 ] - [ 0.0001692500000000, 0.0000306400000000, 0.0006292600000000 ] - [ -0.0004581900000000, 0.0007646900000000, -0.0029399600000000 ] - [ -0.0000673200000000, -0.0008346500000000, 0.0001035700000000 ] - [ -0.0129501400000000, -0.0112129800000000, 0.0038879700000000 ] - [ 0.0000499600000000, -0.0000804800000000, 0.0010217700000000 ] - [ 0.0002592600000000, 0.0002704600000000, 0.0004806400000000 ] - [ -0.0002417100000000, -0.0010375100000000, 0.0017290100000000 ] - [ -0.0001253100000000, 0.0001334800000000, -0.0000475700000000 ] - [ 0.0004721700000000, -0.0013426500000000, -0.0003191700000000 ] - [ -0.0071057300000000, -0.0049203400000000, 0.0011721600000000 ] - [ 0.0005890700000000, 0.0008911900000000, -0.0003360000000000 ] - [ 0.0004715400000000, 0.0012301900000000, 0.0003509500000000 ] - [ -0.0042637900000000, 0.0036378700000000, 0.0081661300000000 ] - [ -0.0003862000000000, -0.0000600500000000, -0.0002351600000000 ] - [ 0.0001967600000000, 0.0016174200000000, 0.0005744800000000 ] - [ -0.0007865500000000, -0.0003919400000000, 0.0022537900000000 ] - [ 0.0001630000000000, -0.0000897100000000, -0.0006946400000000 ] - [ 0.0001220000000000, 0.0000429400000000, -0.0004225500000000 ] - [ -0.0003396600000000, 0.0002412400000000, 0.0003342600000000 ] - [ -0.0003179000000000, 0.0002335100000000, -0.0009046800000000 ] - [ -0.0009509500000000, -0.0010915500000000, -0.0006741400000000 ] - [ 0.0044161900000000, 0.0030375800000000, 0.0032680800000000 ] - [ -0.0003043200000000, 0.0017501900000000, 0.0011914400000000 ] - [ -0.0000753700000000, 0.0004821300000000, 0.0007892700000000 ] - [ -0.0000841300000000, 0.0006312000000000, 0.0026819000000000 ] - [ 0.0000103600000000, -0.0012816100000000, 0.0048711700000000 ] - [ 0.0000206300000000, -0.0004317600000000, 0.0008995400000000 ] - [ -0.0005260500000000, -0.0004077000000000, 0.0006994900000000 ] - [ 0.0000162400000000, -0.0003706300000000, 0.0001404100000000 ] - [ -0.0003162300000000, -0.0004309200000000, 0.0037745600000000 ] - [ -0.0018993400000000, 0.0008891600000000, 0.0028340400000000 ] - [ -0.0001134700000000, -0.0001958400000000, -0.0044031400000000 ] - [ 0.0000708300000000, -0.0004082700000000, 0.0045075900000000 ] - [ 0.0002475100000000, -0.0001078500000000, -0.0002437600000000 ] - [ -0.0000769200000000, -0.0006761700000000, 0.0003160500000000 ] - [ -0.0002167500000000, 0.0008363000000000, -0.0005168700000000 ] - [ 0.0026861900000000, -0.0012920400000000, -0.0013934700000000 ] - [ 0.0021668600000000, -0.0012163900000000, 0.0010282900000000 ] - [ -0.0087738000000000, 0.0050025200000000, -0.0062813800000000 ] - [ 0.0107576800000000, -0.0033530300000000, -0.0175680400000000 ] - [ -0.0010108100000000, -0.0003174700000000, 0.0033411700000000 ] - [ -0.0000507800000000, 0.0013177900000000, -0.0003252200000000 ] - [ 0.0002315600000000, -0.0000619100000000, 0.0005652300000000 ] - [ 0.0001597400000000, 0.0004150000000000, -0.0011107700000000 ] - [ 0.0001432900000000, 0.0011368400000000, -0.0000017100000000 ] - [ -0.0012680600000000, -0.0013183000000000, -0.0001749200000000 ] - [ -0.0000956000000000, -0.0000853000000000, 0.0005704700000000 ] - [ -0.0018073400000000, -0.0078273500000000, -0.0214927100000000 ] - [ 0.0000891700000000, 0.0008769200000000, 0.0001453100000000 ] - [ -0.0020336900000000, -0.0025268500000000, -0.0004674400000000 ] - [ 0.0012389100000000, -0.0023135800000000, 0.0018050100000000 ] - [ -0.0007033400000000, -0.0000044800000000, 0.0004785900000000 ] - [ -0.0000104900000000, -0.0002727800000000, 0.0000945100000000 ] - [ -0.0002505800000000, 0.0007814500000000, 0.0000647800000000 ] - [ -0.0003007800000000, 0.0009897100000000, 0.0007686300000000 ] - [ -0.0003784400000000, -0.0009686900000000, -0.0003747900000000 ] - [ 0.0029813900000000, -0.0021305000000000, -0.0169921000000000 ] - [ -0.0000745000000000, 0.0008121400000000, -0.0004226800000000 ] - [ -0.0000638000000000, 0.0001540300000000, 0.0006592800000000 ] - [ 0.0012642600000000, 0.0014283400000000, 0.0023269300000000 ] - [ 0.0004995200000000, 0.0002911700000000, 0.0000081000000000 ] - [ -0.0004676900000000, 0.0004060500000000, -0.0003748000000000 ] - [ -0.0001716700000000, -0.0000280200000000, 0.0004390500000000 ] - [ -0.0004463500000000, 0.0008229100000000, -0.0000428600000000 ] - [ 0.0053402600000000, -0.0007672600000000, -0.0098707800000000 ] - [ -0.0005489200000000, -0.0000720000000000, 0.0001526100000000 ] - [ 0.0005557800000000, -0.0007108200000000, 0.0003413800000000 ] - [ 0.0003234700000000, -0.0002559900000000, -0.0000737100000000 ] - [ 0.0012678800000000, 0.0014569300000000, 0.0022810500000000 ] - [ 0.0005078600000000, 0.0001754000000000, -0.0003958100000000 ] - [ 0.0007576100000000, 0.0087928900000000, -0.0031329200000000 ] - [ -0.0006918600000000, -0.0069931000000000, 0.0003374200000000 ] - [ 0.0015859500000000, -0.0008287900000000, -0.0101143700000000 ] - [ -0.0028463300000000, -0.0020781400000000, -0.0000003100000000 ] - [ -0.0004118700000000, 0.0003414000000000, 0.0024345000000000 ] - [ 0.0019207300000000, 0.0039240400000000, -0.0010549800000000 ] - [ -0.0006307600000000, -0.0006986400000000, 0.0016651800000000 ] - [ -0.0021703700000000, -0.0037764100000000, 0.0037082800000000 ] - [ -0.0004589500000000, -0.0005405600000000, -0.0001366800000000 ] - [ 0.0004799200000000, 0.0005926200000000, -0.0010449800000000 ] - [ 0.0002168400000000, -0.0001043300000000, 0.0006168500000000 ] - [ 0.0001160300000000, 0.0001558500000000, 0.0007441000000000 ] - [ 0.0033262500000000, 0.0039330600000000, -0.0100885700000000 ] - [ 0.0003448300000000, -0.0002447600000000, 0.0004870400000000 ] - [ 0.0001869600000000, 0.0002696800000000, 0.0001180200000000 ] - [ -0.0009251900000000, 0.0002103700000000, 0.0029468600000000 ] - [ 0.0010250800000000, -0.0000869500000000, 0.0014989900000000 ] - [ 0.0006346800000000, 0.0021775100000000, -0.0009852200000000 ] - [ 0.0011865900000000, -0.0000353800000000, 0.0029978900000000 ] - [ 0.0001294000000000, 0.0003556700000000, 0.0022127500000000 ] - [ 0.0070916800000000, -0.0002347600000000, -0.0080333300000000 ] - [ 0.0000926900000000, -0.0000890200000000, 0.0004830400000000 ] - [ -0.0001490800000000, 0.0007211200000000, 0.0002812900000000 ] - [ 0.0005234200000000, -0.0007303400000000, 0.0001493600000000 ] - [ 0.0000966500000000, -0.0004440500000000, -0.0006104300000000 ] - [ -0.0000732800000000, -0.0001818200000000, -0.0003910200000000 ] - [ -0.0001782300000000, 0.0009208000000000, 0.0008310100000000 ] - [ 0.0000285900000000, -0.0005395200000000, 0.0016024300000000 ] - [ 0.0002014900000000, 0.0001386900000000, 0.0000177100000000 ] - [ 0.0055827500000000, -0.0048093200000000, -0.0016929300000000 ] - [ 0.0041789600000000, -0.0008743100000000, -0.0007735000000000 ] - [ -0.0004700100000000, -0.0000565300000000, 0.0018108100000000 ] - [ -0.0003075100000000, -0.0008264400000000, 0.0031793900000000 ] - [ 0.0045047800000000, -0.0006598200000000, -0.0105895500000000 ] - [ -0.0001680800000000, -0.0001326200000000, -0.0019026900000000 ] - [ -0.0116444300000000, 0.0040952900000000, 0.0044176500000000 ] - [ 0.0003409200000000, 0.0004879300000000, -0.0007925900000000 ]- atom: 49 displacement: [ 0.0099999639143206, 0.0000000000000000, -0.0000268647033593 ] forces: - [ -0.0013125800000000, 0.0001850700000000, -0.0000798500000000 ] - [ -0.0000287200000000, 0.0000015900000000, -0.0001325600000000 ] - [ 0.0000567500000000, -0.0000075900000000, -0.0000787200000000 ] - [ 0.0013501800000000, -0.0017755800000000, 0.0026928900000000 ] - [ -0.0001575000000000, -0.0003747400000000, -0.0001700900000000 ] - [ -0.0000703800000000, -0.0001759600000000, -0.0000867500000000 ] - [ 0.0000251600000000, -0.0001584800000000, -0.0000294300000000 ] - [ 0.0003672700000000, -0.0002007200000000, -0.0001350000000000 ] - [ 0.0028063400000000, -0.0031303900000000, -0.0044867300000000 ] - [ 0.0000045400000000, -0.0000126300000000, 0.0000643600000000 ] - [ 0.0016874800000000, 0.0004606900000000, 0.0000279100000000 ] - [ 0.0007730000000000, -0.0001779500000000, 0.0000397600000000 ] - [ -0.0013505900000000, -0.0005972900000000, -0.0012167100000000 ] - [ -0.0016045400000000, 0.0000255400000000, -0.0000117700000000 ] - [ -0.0000649800000000, -0.0000521700000000, 0.0000859000000000 ] - [ 0.0011137400000000, 0.0001228900000000, -0.0000482100000000 ] - [ -0.0000913800000000, -0.0003488200000000, -0.0000188400000000 ] - [ -0.0002022300000000, -0.0002304500000000, -0.0000976300000000 ] - [ -0.0004081800000000, 0.0005707200000000, 0.0001976300000000 ] - [ 0.0028556800000000, 0.0031135200000000, 0.0024216000000000 ] - [ 0.0001686100000000, 0.0004652300000000, -0.0002979900000000 ] - [ -0.0000797300000000, 0.0002655800000000, -0.0001542100000000 ] - [ -0.0002941700000000, -0.0001551700000000, 0.0001632700000000 ] - [ 0.0016911400000000, 0.0023571500000000, -0.0022318200000000 ] - [ 0.0003229600000000, 0.0003068200000000, -0.0021551600000000 ] - [ -0.0000114100000000, 0.0001249200000000, 0.0028726300000000 ] - [ -0.0000973100000000, -0.0005160600000000, -0.0000365800000000 ] - [ -0.0002156300000000, -0.0004017600000000, -0.0003677900000000 ] - [ -0.0012477100000000, -0.0002677900000000, -0.0005820300000000 ] - [ 0.0003240300000000, 0.0000137400000000, -0.0007329800000000 ] - [ -0.0000653900000000, 0.0001997800000000, 0.0003204300000000 ] - [ -0.0000043400000000, 0.0000702200000000, 0.0003794900000000 ] - [ -0.0057155000000000, -0.0041847600000000, 0.0061628400000000 ] - [ 0.0007413900000000, 0.0004755000000000, -0.0005157900000000 ] - [ 0.0427425800000000, -0.0184292100000000, -0.0095231800000000 ] - [ 0.0226851800000000, 0.0211064100000000, 0.0056985200000000 ] - [ -0.0011696800000000, -0.0001011000000000, 0.0003781800000000 ] - [ 0.0006866500000000, -0.0013428500000000, 0.0011209000000000 ] - [ -0.0000736100000000, -0.0004701100000000, -0.0002389400000000 ] - [ 0.0003019000000000, -0.0005922400000000, -0.0008117000000000 ] - [ -0.0001964300000000, 0.0000423000000000, -0.0002565600000000 ] - [ -0.0341450800000000, -0.0129710400000000, 0.0041306900000000 ] - [ 0.0001394700000000, -0.0000645200000000, -0.0000594000000000 ] - [ 0.0037577900000000, 0.0004461000000000, -0.0003086200000000 ] - [ -0.0000836600000000, -0.0001679000000000, 0.0003335300000000 ] - [ 0.0010942300000000, 0.0003890100000000, -0.0003484100000000 ] - [ 0.0051910500000000, -0.0009429000000000, 0.0002688000000000 ] - [ -0.0001995800000000, -0.0009284100000000, 0.0003999000000000 ] - [ -0.5032217300000000, 0.0700589700000000, 0.0190233900000000 ] - [ 0.0001268100000000, 0.0005654600000000, 0.0000456100000000 ] - [ -0.0003309100000000, -0.0003157200000000, -0.0002827400000000 ] - [ 0.0002417200000000, -0.0001901200000000, 0.0001706100000000 ] - [ 0.0001923300000000, 0.0001789500000000, -0.0001634800000000 ] - [ -0.0003635400000000, 0.0006077500000000, 0.0001005000000000 ] - [ 0.0003194400000000, -0.0003746300000000, 0.0000066700000000 ] - [ 0.0009954100000000, -0.0040104100000000, -0.0042157800000000 ] - [ -0.0001445900000000, 0.0000496400000000, -0.0001008600000000 ] - [ 0.0010817700000000, -0.0026325500000000, 0.0007104700000000 ] - [ -0.0000117000000000, 0.0000095700000000, -0.0000839100000000 ] - [ -0.0000190100000000, -0.0002891100000000, 0.0003266600000000 ] - [ 0.0010220900000000, -0.0004331800000000, -0.0001248400000000 ] - [ -0.0001598600000000, -0.0000687100000000, 0.0000914700000000 ] - [ 0.0070141800000000, 0.0009787300000000, -0.0005900100000000 ] - [ 0.0013274200000000, 0.0008144700000000, 0.0002934000000000 ] - [ 0.0036896600000000, 0.0008832300000000, 0.0033565100000000 ] - [ 0.0006429100000000, -0.0004678400000000, 0.0001193000000000 ] - [ -0.0001485700000000, 0.0000667100000000, -0.0000483800000000 ] - [ -0.0022876200000000, 0.0002492800000000, -0.0003203000000000 ] - [ 0.0002673300000000, 0.0002623200000000, 0.0003814000000000 ] - [ 0.0001710800000000, -0.0027266000000000, 0.0045034700000000 ] - [ -0.0002735500000000, -0.0001345300000000, 0.0004578300000000 ] - [ 0.0002584400000000, 0.0000101000000000, 0.0000365500000000 ] - [ -0.0001586400000000, -0.0004874200000000, 0.0004086900000000 ] - [ 0.0002335600000000, -0.0001536500000000, 0.0002813900000000 ] - [ -0.0020484800000000, 0.0023740600000000, -0.0057733500000000 ] - [ -0.0004780800000000, -0.0008102400000000, 0.0004387100000000 ] - [ -0.0015816900000000, 0.0010478600000000, -0.0001039300000000 ] - [ -0.0000131400000000, -0.0003952900000000, -0.0000920500000000 ] - [ -0.0004104400000000, -0.0031759800000000, -0.0000098500000000 ] - [ -0.0002006100000000, 0.0001449200000000, -0.0002872100000000 ] - [ 0.0002210800000000, 0.0005103900000000, 0.0000149500000000 ] - [ -0.0000798900000000, 0.0001129400000000, 0.0005472500000000 ] - [ -0.0008809400000000, 0.0016209700000000, -0.0013026900000000 ] - [ -0.0001860100000000, 0.0005471500000000, -0.0001593900000000 ] - [ 0.0000276700000000, 0.0001189300000000, 0.0005273100000000 ] - [ -0.0025974600000000, -0.0035229100000000, 0.0053092700000000 ] - [ -0.0003626200000000, 0.0002919000000000, -0.0000711100000000 ] - [ -0.0019904700000000, 0.0016954200000000, 0.0006845000000000 ] - [ -0.0004238100000000, -0.0000269700000000, 0.0003240600000000 ] - [ 0.0001593100000000, -0.0002964900000000, 0.0000192600000000 ] - [ 0.0001082400000000, 0.0001640100000000, 0.0000735400000000 ] - [ -0.0000777400000000, 0.0006535100000000, 0.0001521900000000 ] - [ -0.0018955800000000, -0.0043500700000000, -0.0069517400000000 ] - [ -0.0005707000000000, 0.0003492700000000, 0.0000374600000000 ] - [ -0.0000138700000000, -0.0004013900000000, 0.0001634600000000 ] - [ 0.0001065800000000, -0.0004020900000000, -0.0001801500000000 ] - [ 0.0001724700000000, 0.0003829000000000, 0.0004756300000000 ] - [ 0.0000091100000000, -0.0007748800000000, -0.0001670000000000 ] - [ -0.0001630800000000, 0.0001263100000000, 0.0000754100000000 ] - [ -0.0002386900000000, 0.0005389300000000, 0.0000241600000000 ] - [ -0.0016383700000000, 0.0002022100000000, -0.0003167800000000 ] - [ -0.0002726100000000, 0.0000800300000000, -0.0001960300000000 ] - [ -0.0002406800000000, 0.0003055500000000, -0.0029979000000000 ] - [ -0.0002340800000000, -0.0008401500000000, 0.0001965100000000 ] - [ -0.0066044600000000, -0.0010640100000000, 0.0005754100000000 ] - [ -0.0010366700000000, 0.0002456500000000, 0.0000065200000000 ] - [ -0.0001768600000000, 0.0001507600000000, -0.0001686500000000 ] - [ 0.0002045700000000, 0.0003701400000000, -0.0003557800000000 ] - [ 0.0002277200000000, 0.0001434300000000, -0.0000424100000000 ] - [ -0.0001577900000000, 0.0003763200000000, 0.0003808200000000 ] - [ 0.0000515100000000, 0.0001591000000000, -0.0000702900000000 ] - [ -0.0001380900000000, 0.0002346700000000, 0.0000896000000000 ] - [ -0.0036528600000000, 0.0029113800000000, -0.0046887400000000 ] - [ 0.0734908300000000, -0.0555484600000000, 0.0012006400000000 ] - [ -0.0013743600000000, 0.0004830400000000, 0.0010473500000000 ] - [ 0.0002879800000000, 0.0003282500000000, 0.0001377000000000 ] - [ 0.0003297900000000, 0.0000948000000000, 0.0000605400000000 ] - [ -0.0063077300000000, -0.0002077400000000, 0.0005927300000000 ] - [ -0.0003794200000000, -0.0002386600000000, -0.0000994100000000 ] - [ 0.0001638400000000, 0.0000099300000000, 0.0000758200000000 ] - [ -0.0002372300000000, 0.0004005600000000, 0.0002369200000000 ] - [ -0.0008162600000000, -0.0032945800000000, 0.0003056100000000 ] - [ -0.0001207500000000, 0.0000545500000000, -0.0000641100000000 ] - [ 0.0001037500000000, 0.0002560100000000, 0.0000823800000000 ] - [ -0.0000370700000000, 0.0009700200000000, -0.0000427500000000 ] - [ 0.0025146900000000, 0.0018575600000000, 0.0005426600000000 ] - [ -0.0001117400000000, 0.0003063000000000, -0.0006432300000000 ] - [ 0.0003990400000000, 0.0007466600000000, 0.0022344300000000 ] - [ 0.0005321700000000, 0.0002119000000000, 0.0000521400000000 ] - [ 0.0002400700000000, 0.0000794200000000, -0.0004734700000000 ] - [ -0.0004533800000000, -0.0000500500000000, -0.0001373200000000 ] - [ -0.0035129300000000, -0.0019171300000000, -0.0010258900000000 ] - [ -0.0080869100000000, 0.0004728000000000, -0.0007943800000000 ] - [ -0.0002242000000000, -0.0002841200000000, -0.0005822300000000 ] - [ -0.0002876800000000, -0.0001791200000000, 0.0003779000000000 ] - [ 0.0001722100000000, 0.0004858000000000, -0.0004314800000000 ] - [ -0.0011292200000000, 0.0010235600000000, -0.0000952800000000 ] - [ 0.0027323900000000, -0.0002544500000000, -0.0009930800000000 ] - [ 0.0007076200000000, -0.0002019600000000, -0.0001514500000000 ] - [ 0.0021224800000000, -0.0030515600000000, 0.0004388500000000 ] - [ 0.0000437700000000, -0.0002477600000000, 0.0001946100000000 ] - [ 0.0013293000000000, -0.0001136600000000, -0.0003871000000000 ] - [ -0.0002334200000000, 0.0001618400000000, -0.0002764200000000 ] - [ -0.0006759200000000, 0.0003585600000000, 0.0001766300000000 ] - [ 0.0002371400000000, 0.0052842800000000, -0.0005718600000000 ] - [ 0.0001579300000000, 0.0001485600000000, -0.0001845000000000 ] - [ 0.0011932300000000, 0.0002972900000000, 0.0007282000000000 ] - [ 0.0031446300000000, -0.0008700800000000, 0.0007334800000000 ] - [ 0.2708621000000000, -0.0624745600000000, -0.0078916200000000 ] - [ -0.0002767200000000, -0.0002454600000000, 0.0000313300000000 ] - [ 0.0000008600000000, -0.0000261300000000, -0.0002877200000000 ] - [ 0.0001006800000000, 0.0001856400000000, -0.0003398200000000 ] - [ 0.0004708900000000, -0.0002457800000000, -0.0003084400000000 ] - [ 0.0003193800000000, 0.0001509100000000, -0.0004875200000000 ] - [ 0.0005548600000000, -0.0000516600000000, 0.0001641100000000 ] - [ -0.0001681600000000, 0.0002466600000000, 0.0001301400000000 ] - [ 0.1353744500000000, 0.0628862900000000, -0.0111172800000000 ] - [ 0.0006031300000000, 0.0003576400000000, 0.0001595600000000 ] - [ -0.0002978200000000, -0.0001165100000000, -0.0004571000000000 ] - [ 0.0010872200000000, 0.0010022100000000, -0.0000803600000000 ] - [ -0.0005799400000000, 0.0003139000000000, -0.0042266800000000 ] - [ -0.0010459500000000, 0.0048280400000000, 0.0006573100000000 ] - [ -0.0001945100000000, 0.0000970900000000, -0.0002594900000000 ] - [ 0.0003475600000000, -0.0001412800000000, 0.0029588400000000 ] - [ 0.0040020900000000, -0.0039731000000000, 0.0002038000000000 ] - [ -0.0021392900000000, 0.0024312800000000, 0.0071057000000000 ] - [ 0.0001367800000000, 0.0001650200000000, 0.0005955000000000 ] - [ 0.0001770400000000, -0.0000836600000000, 0.0001854100000000 ] - [ 0.0002921900000000, 0.0001020900000000, 0.0000945700000000 ] - [ -0.0004757900000000, 0.0010409600000000, -0.0001484100000000 ] - [ -0.0004691700000000, 0.0004235900000000, 0.0001658600000000 ] - [ 0.0001473100000000, -0.0001096600000000, -0.0001162500000000 ] - [ 0.0000175900000000, 0.0002590100000000, -0.0002139700000000 ] - [ 0.0004629500000000, 0.0011905600000000, -0.0002881000000000 ] - [ -0.0010289300000000, -0.0008219200000000, 0.0000790100000000 ] - [ 0.0004208300000000, 0.0008232800000000, -0.0016833400000000 ]- atom: 49 displacement: [ -0.0099999639143206, 0.0000000000000000, 0.0000268647033593 ] forces: - [ 0.0015000800000000, -0.0004033400000000, 0.0002786200000000 ] - [ -0.0001017900000000, 0.0004417000000000, 0.0000782900000000 ] - [ 0.0005613700000000, -0.0000016400000000, -0.0000639900000000 ] - [ -0.0012546900000000, 0.0011016600000000, -0.0024053500000000 ] - [ 0.0000639100000000, -0.0002932300000000, -0.0001078200000000 ] - [ -0.0001195300000000, -0.0000423700000000, -0.0001001600000000 ] - [ -0.0002130700000000, 0.0003752000000000, -0.0001574800000000 ] - [ 0.0005024300000000, 0.0005386600000000, 0.0003549700000000 ] - [ -0.0027297800000000, 0.0030003100000000, 0.0043391600000000 ] - [ -0.0000646300000000, 0.0001216700000000, 0.0000525500000000 ] - [ -0.0015935200000000, 0.0002054500000000, 0.0002459900000000 ] - [ -0.0006393300000000, -0.0002668200000000, 0.0000158600000000 ] - [ 0.0022177100000000, 0.0002443500000000, 0.0014212800000000 ] - [ 0.0016608400000000, 0.0000840500000000, -0.0001123400000000 ] - [ 0.0000041600000000, -0.0000570900000000, 0.0000313100000000 ] - [ -0.0017278900000000, -0.0001275400000000, 0.0001891700000000 ] - [ -0.0000404100000000, -0.0000964000000000, -0.0000345000000000 ] - [ -0.0006673600000000, -0.0001094500000000, -0.0001230100000000 ] - [ -0.0004628400000000, -0.0002295500000000, -0.0004168500000000 ] - [ -0.0027278900000000, -0.0026829700000000, -0.0023722900000000 ] - [ 0.0004485600000000, -0.0004538700000000, 0.0001560000000000 ] - [ -0.0000123500000000, 0.0004013200000000, -0.0001234300000000 ] - [ -0.0003251800000000, 0.0001641400000000, -0.0000202700000000 ] - [ -0.0015014300000000, -0.0021433200000000, 0.0024175300000000 ] - [ 0.0001840800000000, -0.0006315300000000, 0.0030534300000000 ] - [ 0.0000972300000000, -0.0006014200000000, -0.0025831700000000 ] - [ -0.0002927600000000, -0.0005101600000000, 0.0007033100000000 ] - [ -0.0002928300000000, 0.0000749000000000, -0.0005355200000000 ] - [ 0.0011525700000000, 0.0007391500000000, 0.0002937900000000 ] - [ -0.0001410800000000, 0.0003037800000000, -0.0001276800000000 ] - [ -0.0001174100000000, 0.0001200400000000, 0.0005361000000000 ] - [ 0.0001178900000000, 0.0002997500000000, -0.0002992200000000 ] - [ 0.0052947500000000, 0.0051519900000000, -0.0054579300000000 ] - [ -0.0012468500000000, -0.0001457300000000, -0.0003892100000000 ] - [ -0.0434426800000000, 0.0183071300000000, 0.0096129000000000 ] - [ -0.0223008600000000, -0.0212737700000000, -0.0064880200000000 ] - [ 0.0015396700000000, 0.0002873100000000, -0.0004764300000000 ] - [ -0.0002887900000000, 0.0003187000000000, -0.0017820000000000 ] - [ -0.0000118400000000, -0.0000086600000000, -0.0000429700000000 ] - [ 0.0000752100000000, 0.0004100200000000, 0.0007110800000000 ] - [ 0.0000841400000000, 0.0003271300000000, 0.0001840400000000 ] - [ 0.0344821400000000, 0.0134510700000000, -0.0032490100000000 ] - [ -0.0000247600000000, -0.0003054300000000, 0.0001341500000000 ] - [ -0.0041206200000000, -0.0002500100000000, 0.0004119900000000 ] - [ -0.0002886600000000, -0.0000187000000000, -0.0002319600000000 ] - [ -0.0006999100000000, 0.0006351000000000, -0.0003184900000000 ] - [ -0.0050968400000000, 0.0014083900000000, 0.0000132000000000 ] - [ 0.0000157500000000, 0.0006054400000000, 0.0004568300000000 ] - [ 0.4904872500000000, -0.0587096800000000, -0.0197478300000000 ] - [ -0.0000637700000000, -0.0001818300000000, 0.0001168800000000 ] - [ 0.0007666700000000, 0.0003924700000000, -0.0004163500000000 ] - [ 0.0000507700000000, 0.0000464900000000, 0.0003735100000000 ] - [ 0.0002211000000000, 0.0004939900000000, -0.0000656300000000 ] - [ -0.0000502500000000, 0.0000670700000000, 0.0001297100000000 ] - [ 0.0000119900000000, -0.0001050200000000, 0.0000412500000000 ] - [ -0.0007018500000000, 0.0032432200000000, 0.0037586500000000 ] - [ 0.0001720600000000, 0.0005538800000000, -0.0001137300000000 ] - [ -0.0006458400000000, 0.0019619100000000, -0.0009486900000000 ] - [ -0.0000520700000000, 0.0003704700000000, -0.0000787000000000 ] - [ -0.0000069300000000, -0.0003172800000000, -0.0001119800000000 ] - [ -0.0013109500000000, 0.0005739200000000, -0.0004226200000000 ] - [ 0.0004504000000000, 0.0002103900000000, 0.0004506800000000 ] - [ -0.0070311400000000, -0.0003754100000000, 0.0008063200000000 ] - [ -0.0017319500000000, -0.0014854000000000, -0.0000636900000000 ] - [ -0.0039622400000000, -0.0010230400000000, -0.0038844600000000 ] - [ -0.0003841200000000, 0.0002053000000000, -0.0002555700000000 ] - [ -0.0001074000000000, 0.0001941700000000, 0.0001868600000000 ] - [ 0.0025739900000000, 0.0005288800000000, -0.0001392200000000 ] - [ -0.0005577000000000, 0.0005086500000000, 0.0000798500000000 ] - [ 0.0001052500000000, 0.0030201900000000, -0.0046512600000000 ] - [ -0.0001639900000000, 0.0000557400000000, 0.0002415600000000 ] - [ 0.0000727300000000, 0.0004682800000000, 0.0000116800000000 ] - [ -0.0001323200000000, -0.0002828300000000, 0.0000511400000000 ] - [ -0.0006700200000000, 0.0002313700000000, 0.0004151600000000 ] - [ 0.0024505200000000, -0.0024317500000000, 0.0050358000000000 ] - [ 0.0002205300000000, 0.0005431900000000, -0.0002933800000000 ] - [ 0.0015061400000000, -0.0014233800000000, -0.0000596300000000 ] - [ 0.0000413400000000, -0.0002105700000000, -0.0001223700000000 ] - [ 0.0004736800000000, 0.0027804700000000, 0.0001726700000000 ] - [ -0.0001318000000000, 0.0003333300000000, 0.0002384700000000 ] - [ 0.0002991000000000, 0.0002775500000000, 0.0000454500000000 ] - [ -0.0000535300000000, -0.0001304500000000, 0.0003056200000000 ] - [ 0.0002869600000000, -0.0018271300000000, 0.0017517900000000 ] - [ -0.0001078800000000, 0.0002087800000000, -0.0000846300000000 ] - [ 0.0000513800000000, -0.0001966100000000, 0.0001360600000000 ] - [ 0.0030532800000000, 0.0035714200000000, -0.0050785200000000 ] - [ 0.0008197800000000, -0.0003783800000000, -0.0001731400000000 ] - [ 0.0014431900000000, -0.0016142600000000, -0.0008920200000000 ] - [ 0.0000399100000000, -0.0000510500000000, 0.0000588000000000 ] - [ 0.0003611900000000, -0.0004907700000000, 0.0000410800000000 ] - [ 0.0001382800000000, -0.0000267000000000, 0.0002170700000000 ] - [ -0.0001749300000000, 0.0004193500000000, 0.0001975900000000 ] - [ 0.0014110700000000, 0.0048259500000000, 0.0077447900000000 ] - [ 0.0011445000000000, -0.0003751600000000, 0.0005479000000000 ] - [ -0.0001371700000000, -0.0007889900000000, 0.0001710100000000 ] - [ 0.0001191300000000, -0.0007034000000000, -0.0001868000000000 ] - [ 0.0001207800000000, 0.0003733000000000, -0.0002319400000000 ] - [ 0.0001417400000000, -0.0004168300000000, -0.0001692500000000 ] - [ -0.0002196400000000, -0.0000487500000000, 0.0003051200000000 ] - [ -0.0001654300000000, 0.0003371100000000, -0.0000751200000000 ] - [ 0.0017688200000000, -0.0001812000000000, -0.0005323700000000 ] - [ -0.0003043000000000, -0.0000505700000000, -0.0003926300000000 ] - [ 0.0008125400000000, -0.0002846700000000, 0.0035884100000000 ] - [ 0.0000087800000000, -0.0002688300000000, 0.0001709300000000 ] - [ 0.0068511600000000, 0.0000054500000000, -0.0009271900000000 ] - [ 0.0007697600000000, -0.0001307800000000, 0.0001986100000000 ] - [ -0.0002906300000000, -0.0000791700000000, -0.0000232300000000 ] - [ 0.0002772100000000, 0.0001337700000000, -0.0004825000000000 ] - [ 0.0000361000000000, -0.0002556300000000, -0.0001609200000000 ] - [ -0.0001702400000000, 0.0001732600000000, 0.0002090100000000 ] - [ -0.0003782500000000, -0.0007051200000000, 0.0006550600000000 ] - [ 0.0006822600000000, -0.0003184500000000, 0.0001149900000000 ] - [ 0.0039863000000000, -0.0023831500000000, 0.0041239800000000 ] - [ -0.0729954700000000, 0.0562591700000000, -0.0005366100000000 ] - [ 0.0008918900000000, -0.0009845200000000, -0.0002045700000000 ] - [ -0.0000264300000000, -0.0002142200000000, -0.0003383700000000 ] - [ 0.0002155200000000, -0.0000116700000000, 0.0001445200000000 ] - [ 0.0066188700000000, 0.0003065200000000, -0.0002628500000000 ] - [ 0.0000843700000000, -0.0005163400000000, -0.0001442800000000 ] - [ 0.0001522500000000, -0.0001112300000000, 0.0002571200000000 ] - [ -0.0002825200000000, 0.0003872900000000, -0.0002964400000000 ] - [ 0.0005276100000000, 0.0030529400000000, 0.0000292500000000 ] - [ -0.0001962400000000, -0.0001571800000000, -0.0002697500000000 ] - [ 0.0001000600000000, 0.0000722900000000, 0.0000385000000000 ] - [ -0.0003790700000000, -0.0018327600000000, -0.0000019500000000 ] - [ -0.0027529400000000, -0.0019939900000000, -0.0008328300000000 ] - [ 0.0000313300000000, -0.0003831200000000, -0.0000210500000000 ] - [ -0.0006482500000000, -0.0006126300000000, -0.0025264900000000 ] - [ 0.0004193900000000, -0.0000586400000000, 0.0000741500000000 ] - [ 0.0006996800000000, 0.0004865700000000, 0.0003445800000000 ] - [ -0.0000156000000000, -0.0000213400000000, -0.0000548200000000 ] - [ 0.0032414200000000, 0.0017975500000000, 0.0012206800000000 ] - [ 0.0078814300000000, -0.0007898400000000, 0.0006790400000000 ] - [ 0.0003718900000000, 0.0014710600000000, 0.0002453600000000 ] - [ -0.0006616700000000, 0.0003304600000000, -0.0005049300000000 ] - [ 0.0000795400000000, 0.0005868500000000, 0.0000791800000000 ] - [ 0.0020737800000000, -0.0011777800000000, 0.0002241200000000 ] - [ -0.0023431600000000, 0.0001748200000000, 0.0006080300000000 ] - [ -0.0004770800000000, 0.0013029400000000, -0.0002147600000000 ] - [ -0.0030597400000000, 0.0028791200000000, -0.0005645900000000 ] - [ -0.0002958600000000, -0.0008220800000000, 0.0001562600000000 ] - [ -0.0018731800000000, 0.0000308200000000, 0.0001812600000000 ] - [ 0.0001533200000000, -0.0000827100000000, -0.0003859600000000 ] - [ 0.0001065600000000, -0.0001605000000000, 0.0002848600000000 ] - [ -0.0004663500000000, -0.0041700400000000, 0.0009401500000000 ] - [ 0.0003015000000000, -0.0000620900000000, -0.0000608200000000 ] - [ -0.0014223600000000, -0.0004510000000000, -0.0002968600000000 ] - [ -0.0040655800000000, 0.0002923100000000, -0.0006019700000000 ] - [ -0.2534134300000000, 0.0549979000000000, 0.0072752100000000 ] - [ 0.0005223700000000, 0.0001064100000000, 0.0002588900000000 ] - [ 0.0002309800000000, -0.0001229700000000, -0.0001470500000000 ] - [ 0.0001309500000000, -0.0000366100000000, -0.0000934400000000 ] - [ 0.0000123000000000, -0.0002576800000000, -0.0005291700000000 ] - [ 0.0000831600000000, 0.0007233300000000, 0.0005357700000000 ] - [ -0.0010125900000000, -0.0000339700000000, 0.0000811100000000 ] - [ -0.0001224700000000, -0.0000239300000000, 0.0002041400000000 ] - [ -0.1405168500000000, -0.0697860200000000, 0.0124423700000000 ] - [ -0.0001309500000000, -0.0004267000000000, 0.0000347100000000 ] - [ 0.0006239800000000, -0.0004306100000000, -0.0001332000000000 ] - [ -0.0007937500000000, -0.0012158100000000, -0.0002526100000000 ] - [ 0.0007111400000000, -0.0003299400000000, 0.0033560000000000 ] - [ 0.0008711500000000, -0.0036558400000000, -0.0003190700000000 ] - [ -0.0000091700000000, 0.0002317200000000, 0.0001395000000000 ] - [ 0.0000432700000000, 0.0002156500000000, -0.0033287800000000 ] - [ -0.0044104500000000, 0.0040394300000000, 0.0000338000000000 ] - [ 0.0018987300000000, -0.0022874200000000, -0.0066867900000000 ] - [ -0.0002692500000000, -0.0001446800000000, 0.0002586000000000 ] - [ 0.0001133500000000, 0.0003036700000000, -0.0005191200000000 ] - [ -0.0000871900000000, -0.0004282000000000, 0.0000265000000000 ] - [ 0.0014127900000000, -0.0016038800000000, 0.0000196900000000 ] - [ -0.0004697400000000, 0.0001448800000000, -0.0000376100000000 ] - [ 0.0004185100000000, -0.0000863800000000, -0.0003455900000000 ] - [ -0.0003333500000000, -0.0001562800000000, -0.0001193700000000 ] - [ -0.0010351900000000, -0.0012032600000000, -0.0003019600000000 ] - [ 0.0014258400000000, -0.0000523900000000, -0.0000278300000000 ] - [ 0.0001407100000000, -0.0006199500000000, 0.0012076000000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000855600000000, -0.0024349300000000, -0.0007805600000000 ] - [ -0.0002412400000000, 0.0011861300000000, 0.0002023200000000 ] - [ 0.0002899100000000, 0.0012224000000000, -0.0003640000000000 ] - [ -0.0009988300000000, -0.0009985000000000, -0.0009928800000000 ] - [ 0.0002988200000000, 0.0005976000000000, -0.0002238600000000 ] - [ -0.0001093100000000, 0.0005531100000000, -0.0001731300000000 ] - [ -0.0004438700000000, 0.0012569400000000, -0.0002273000000000 ] - [ 0.0002092600000000, 0.0006073000000000, 0.0005900700000000 ] - [ -0.0019685400000000, -0.0003723000000000, 0.0020490500000000 ] - [ 0.0000132300000000, 0.0007879100000000, 0.0000629400000000 ] - [ -0.0001610200000000, -0.0007339900000000, 0.0003228000000000 ] - [ -0.0000361000000000, -0.0010861000000000, -0.0000246000000000 ] - [ 0.0004339400000000, 0.0030126600000000, 0.0058465600000000 ] - [ 0.0000848400000000, -0.0018500500000000, -0.0008454700000000 ] - [ 0.0000612100000000, 0.0006856500000000, 0.0001953300000000 ] - [ -0.0009756600000000, -0.0004286100000000, 0.0000951400000000 ] - [ -0.0001236600000000, 0.0006981200000000, 0.0000632400000000 ] - [ -0.0003442500000000, 0.0004621300000000, 0.0000723600000000 ] - [ -0.0003375200000000, 0.0000972600000000, -0.0000647300000000 ] - [ 0.0031693800000000, 0.0011893100000000, 0.0024712100000000 ] - [ 0.0008643100000000, 0.0002121300000000, -0.0007638600000000 ] - [ -0.0000759600000000, 0.0010887500000000, -0.0001375900000000 ] - [ -0.0004850600000000, 0.0003555700000000, -0.0001479000000000 ] - [ 0.0023016800000000, 0.0010465900000000, -0.0024626100000000 ] - [ 0.0003160600000000, -0.0023672100000000, -0.0001728200000000 ] - [ 0.0000127900000000, -0.0025379900000000, -0.0009475500000000 ] - [ 0.0005703100000000, 0.0008241600000000, -0.0007514800000000 ] - [ -0.0003492200000000, 0.0016952300000000, -0.0004279000000000 ] - [ 0.0004280300000000, 0.0050843600000000, 0.0011292900000000 ] - [ 0.0001570900000000, -0.0004815900000000, -0.0010286900000000 ] - [ -0.0001237300000000, 0.0010388400000000, 0.0005794000000000 ] - [ 0.0001016700000000, 0.0014470000000000, -0.0010420300000000 ] - [ 0.0038843300000000, 0.0283178300000000, -0.0184091100000000 ] - [ -0.0001510300000000, 0.0023750600000000, -0.0001715500000000 ] - [ -0.0190591800000000, -0.0322799600000000, 0.0043171800000000 ] - [ 0.0070472200000000, -0.0127171900000000, -0.0004745900000000 ] - [ 0.0002789000000000, 0.0047441400000000, 0.0009139000000000 ] - [ -0.0014337500000000, 0.0004782400000000, -0.0033944600000000 ] - [ 0.0000463700000000, 0.0015789400000000, -0.0001771900000000 ] - [ -0.0002013300000000, -0.0004256300000000, 0.0004946100000000 ] - [ 0.0001503900000000, -0.0008668400000000, 0.0011267800000000 ] - [ -0.0157165900000000, 0.0427077900000000, -0.0073962300000000 ] - [ 0.0000346900000000, 0.0028460900000000, -0.0002228700000000 ] - [ -0.0020996400000000, -0.0013334100000000, 0.0013792600000000 ] - [ 0.0003458400000000, 0.0012655500000000, 0.0014009400000000 ] - [ 0.0004429300000000, 0.0024189100000000, -0.0010931600000000 ] - [ -0.0006471500000000, -0.0004848100000000, -0.0002147900000000 ] - [ -0.0002698400000000, 0.0031325600000000, 0.0004416000000000 ] - [ 0.0700059500000000, -0.4794974800000000, 0.0250878000000000 ] - [ -0.0000839500000000, -0.0007177500000000, 0.0001234800000000 ] - [ 0.0010634200000000, 0.0018110800000000, -0.0056841000000000 ] - [ -0.0007461100000000, 0.0007309300000000, 0.0008922700000000 ] - [ 0.0002574000000000, 0.0011890300000000, 0.0001108000000000 ] - [ 0.0000693100000000, 0.0000266400000000, -0.0001995200000000 ] - [ 0.0003074500000000, 0.0014939300000000, 0.0001484500000000 ] - [ 0.0000475800000000, -0.0009617100000000, -0.0002277900000000 ] - [ -0.0000152400000000, 0.0028065900000000, -0.0000909800000000 ] - [ -0.0033616000000000, 0.0019473600000000, 0.0003115300000000 ] - [ -0.0000257700000000, 0.0012516400000000, -0.0001163200000000 ] - [ -0.0000367500000000, -0.0016439500000000, 0.0001770700000000 ] - [ 0.0000307300000000, 0.0001434300000000, 0.0006995400000000 ] - [ 0.0006906800000000, 0.0005006900000000, 0.0013959400000000 ] - [ -0.0009784200000000, -0.0040906600000000, 0.0002687500000000 ] - [ 0.0028396000000000, 0.0027840500000000, 0.0005965600000000 ] - [ -0.0000743600000000, 0.0002412500000000, 0.0004840500000000 ] - [ 0.0001485900000000, -0.0003168400000000, -0.0010069100000000 ] - [ -0.0006498200000000, 0.0013982700000000, 0.0001799200000000 ] - [ 0.0019804200000000, 0.0004737700000000, 0.0040270700000000 ] - [ -0.0003363200000000, 0.0009291900000000, 0.0007546500000000 ] - [ -0.0047678000000000, -0.0057995400000000, -0.0021501200000000 ] - [ 0.0002467900000000, 0.0005886300000000, -0.0001796100000000 ] - [ -0.0000575100000000, 0.0016157200000000, -0.0000681100000000 ] - [ 0.0006997600000000, 0.0007122300000000, -0.0001094500000000 ] - [ -0.0009207100000000, 0.0005457600000000, 0.0003244900000000 ] - [ 0.0074144300000000, -0.0051775500000000, -0.0002732700000000 ] - [ 0.0004339200000000, 0.0020630400000000, -0.0021313200000000 ] - [ 0.0053377300000000, 0.0014581700000000, 0.0001050500000000 ] - [ 0.0000628100000000, 0.0008350600000000, -0.0001350300000000 ] - [ -0.0013289000000000, 0.0021801900000000, -0.0000676300000000 ] - [ -0.0000776600000000, -0.0009580100000000, -0.0001167900000000 ] - [ 0.0003496000000000, -0.0006304500000000, 0.0000427300000000 ] - [ 0.0000826500000000, -0.0007430100000000, -0.0000804200000000 ] - [ 0.0066188600000000, -0.0000093000000000, 0.0065597500000000 ] - [ 0.0000084900000000, -0.0009255000000000, 0.0000009800000000 ] - [ 0.0001344600000000, 0.0007727200000000, 0.0004854800000000 ] - [ -0.0008266800000000, 0.0035668000000000, -0.0030529200000000 ] - [ 0.0011476400000000, -0.0007652800000000, -0.0000562800000000 ] - [ -0.0004677800000000, 0.0009645600000000, -0.0003926400000000 ] - [ -0.0000726600000000, -0.0006499000000000, 0.0001703700000000 ] - [ 0.0003322900000000, -0.0018128600000000, 0.0000023100000000 ] - [ -0.0001719000000000, -0.0007563800000000, -0.0000152600000000 ] - [ -0.0002551000000000, -0.0006271400000000, 0.0002381100000000 ] - [ -0.0028037400000000, 0.0035941600000000, 0.0005490600000000 ] - [ 0.0004322400000000, -0.0001845200000000, 0.0011468800000000 ] - [ -0.0000793000000000, -0.0011569500000000, -0.0003760100000000 ] - [ 0.0001389700000000, -0.0014394600000000, -0.0001859800000000 ] - [ 0.0003122300000000, 0.0018278400000000, 0.0001374700000000 ] - [ 0.0000064500000000, -0.0005610500000000, -0.0000170400000000 ] - [ -0.0003183400000000, -0.0006460800000000, 0.0006259900000000 ] - [ -0.0000731500000000, -0.0002785800000000, 0.0001048300000000 ] - [ -0.0001511600000000, -0.0000580600000000, -0.0011834400000000 ] - [ -0.0001485900000000, -0.0008363700000000, -0.0000737000000000 ] - [ 0.0015870800000000, 0.0020031400000000, 0.0025355300000000 ] - [ -0.0000467700000000, 0.0003218400000000, 0.0003493300000000 ] - [ -0.0009090700000000, 0.0042810800000000, 0.0001169800000000 ] - [ -0.0002666400000000, -0.0003462700000000, -0.0005401500000000 ] - [ -0.0001832900000000, -0.0008229300000000, 0.0000954400000000 ] - [ 0.0005322400000000, -0.0006308100000000, -0.0005102900000000 ] - [ 0.0011346300000000, -0.0015048700000000, -0.0006327300000000 ] - [ -0.0000247200000000, -0.0008770300000000, 0.0000451200000000 ] - [ -0.0006048600000000, -0.0021526700000000, 0.0019830900000000 ] - [ 0.0005070600000000, -0.0002676900000000, -0.0002596800000000 ] - [ 0.0017100300000000, 0.0058138700000000, -0.0011087200000000 ] - [ -0.0553446200000000, 0.2412537400000000, -0.0089407600000000 ] - [ -0.0001831700000000, 0.0000952000000000, -0.0002955700000000 ] - [ 0.0003186400000000, -0.0005427800000000, -0.0010506600000000 ] - [ -0.0004546200000000, -0.0013209000000000, -0.0004170100000000 ] - [ 0.0021791500000000, 0.0029059800000000, 0.0001944800000000 ] - [ -0.0002539200000000, -0.0021077000000000, -0.0002319000000000 ] - [ 0.0000481600000000, 0.0008520300000000, 0.0000022800000000 ] - [ -0.0005120800000000, 0.0015314600000000, 0.0002029400000000 ] - [ -0.0020619100000000, 0.0018365600000000, -0.0003406600000000 ] - [ -0.0002424600000000, -0.0008885000000000, -0.0000781000000000 ] - [ 0.0001480700000000, -0.0008917300000000, 0.0000314200000000 ] - [ 0.0016895200000000, -0.0037775200000000, -0.0012180800000000 ] - [ -0.0001315900000000, -0.0037163000000000, -0.0048267800000000 ] - [ 0.0002016600000000, -0.0014146200000000, 0.0003304300000000 ] - [ -0.0001245300000000, 0.0009933300000000, -0.0004175400000000 ] - [ 0.0002032600000000, -0.0007236900000000, -0.0000783500000000 ] - [ 0.0008817600000000, 0.0007105800000000, 0.0003164300000000 ] - [ -0.0000766000000000, -0.0005061000000000, 0.0002952100000000 ] - [ 0.0002558300000000, 0.0007060000000000, 0.0002158800000000 ] - [ 0.0011052000000000, 0.0021799300000000, 0.0003863800000000 ] - [ -0.0007006000000000, -0.0025496600000000, -0.0005886100000000 ] - [ -0.0007866700000000, 0.0006813500000000, 0.0001617400000000 ] - [ -0.0000327400000000, 0.0020367900000000, -0.0002337700000000 ] - [ 0.0028354400000000, -0.0017048400000000, -0.0000287500000000 ] - [ 0.0004525300000000, -0.0028934100000000, 0.0074677600000000 ] - [ -0.0017475800000000, -0.0015839500000000, -0.0002856700000000 ] - [ -0.0037132800000000, -0.0047286200000000, -0.0002690600000000 ] - [ 0.0000936900000000, -0.0029227500000000, 0.0001876500000000 ] - [ -0.0014647300000000, -0.0013496700000000, -0.0016670600000000 ] - [ -0.0002018400000000, -0.0017348700000000, -0.0005102000000000 ] - [ -0.0003996000000000, -0.0001443400000000, 0.0005810500000000 ] - [ 0.0037596300000000, -0.0009295800000000, 0.0001171000000000 ] - [ -0.0003327100000000, -0.0008444600000000, 0.0002906000000000 ] - [ -0.0002096800000000, 0.0008007400000000, -0.0026757500000000 ] - [ -0.0072837200000000, -0.0048240500000000, -0.0014656300000000 ] - [ -0.0607833400000000, 0.0830191800000000, 0.0018086600000000 ] - [ 0.0001741700000000, -0.0004849000000000, -0.0002884700000000 ] - [ 0.0001933600000000, -0.0007627300000000, -0.0004217400000000 ] - [ -0.0000654200000000, -0.0011526800000000, 0.0000572400000000 ] - [ -0.0001610300000000, -0.0007047200000000, -0.0010334400000000 ] - [ 0.0001990100000000, 0.0010950200000000, 0.0007058900000000 ] - [ -0.0017763500000000, -0.0016970900000000, 0.0019818500000000 ] - [ -0.0003123300000000, -0.0005631700000000, 0.0001050800000000 ] - [ 0.0656004700000000, 0.1270801400000000, -0.0097682200000000 ] - [ 0.0009160000000000, 0.0000380100000000, 0.0029815600000000 ] - [ 0.0002251300000000, 0.0003035700000000, 0.0001486300000000 ] - [ 0.0010934000000000, -0.0029338500000000, -0.0003213400000000 ] - [ 0.0000716500000000, 0.0005204900000000, -0.0008014100000000 ] - [ 0.0054242600000000, 0.0006055300000000, -0.0013851200000000 ] - [ 0.0000818100000000, 0.0015107400000000, 0.0000331900000000 ] - [ -0.0012672800000000, 0.0023333200000000, 0.0014364900000000 ] - [ -0.0087996900000000, 0.0024029700000000, 0.0057221700000000 ] - [ 0.0001809400000000, 0.0045198000000000, -0.0001148800000000 ] - [ -0.0001088400000000, -0.0010611900000000, -0.0007033900000000 ] - [ 0.0000159800000000, 0.0004995500000000, -0.0001485700000000 ] - [ -0.0001176400000000, -0.0024268000000000, 0.0000177100000000 ] - [ 0.0016189600000000, -0.0018153900000000, 0.0001570500000000 ] - [ -0.0003115700000000, -0.0003941500000000, 0.0002461900000000 ] - [ 0.0005376600000000, -0.0012410500000000, 0.0000342400000000 ] - [ 0.0000458900000000, -0.0025087100000000, 0.0000597400000000 ] - [ -0.0012109400000000, -0.0041744000000000, 0.0006495800000000 ] - [ -0.0013882200000000, -0.0013316100000000, 0.0004101200000000 ] - [ 0.0009269100000000, -0.0018006000000000, 0.0028140300000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001059900000000, 0.0022055100000000, 0.0009796400000000 ] - [ 0.0001047100000000, -0.0007360500000000, -0.0002534000000000 ] - [ 0.0003287100000000, -0.0012303900000000, 0.0002230700000000 ] - [ 0.0010863400000000, 0.0003336600000000, 0.0012601400000000 ] - [ -0.0003895800000000, -0.0012665500000000, -0.0000524600000000 ] - [ -0.0000810300000000, -0.0007737900000000, -0.0000159700000000 ] - [ 0.0002532900000000, -0.0010340300000000, 0.0000374900000000 ] - [ 0.0006653900000000, -0.0002632000000000, -0.0003662800000000 ] - [ 0.0020280500000000, 0.0002677200000000, -0.0021679500000000 ] - [ -0.0000743600000000, -0.0006716600000000, 0.0000569100000000 ] - [ 0.0002503500000000, 0.0014024500000000, -0.0000460600000000 ] - [ 0.0001710300000000, 0.0006358200000000, 0.0000753600000000 ] - [ 0.0004356900000000, -0.0033325000000000, -0.0055825700000000 ] - [ -0.0000218500000000, 0.0019637900000000, 0.0007160600000000 ] - [ -0.0001219900000000, -0.0007995900000000, -0.0000741400000000 ] - [ 0.0003546500000000, 0.0004166300000000, 0.0000460300000000 ] - [ -0.0000123900000000, -0.0011455300000000, -0.0001149500000000 ] - [ -0.0005294000000000, -0.0008024600000000, -0.0002967400000000 ] - [ -0.0005359500000000, 0.0002433900000000, -0.0001590700000000 ] - [ -0.0030422500000000, -0.0007420900000000, -0.0024208100000000 ] - [ -0.0002441300000000, -0.0002031800000000, 0.0006213100000000 ] - [ -0.0000156600000000, -0.0004169700000000, -0.0001372500000000 ] - [ -0.0001339500000000, -0.0003448200000000, 0.0002892000000000 ] - [ -0.0021159900000000, -0.0008233300000000, 0.0026485400000000 ] - [ 0.0001775000000000, 0.0020314400000000, 0.0010648600000000 ] - [ 0.0000877800000000, 0.0020509400000000, 0.0012174400000000 ] - [ -0.0009790600000000, -0.0018461000000000, 0.0014215900000000 ] - [ -0.0001451300000000, -0.0020226500000000, -0.0004614300000000 ] - [ -0.0005359400000000, -0.0045893700000000, -0.0014047400000000 ] - [ 0.0000208400000000, 0.0008077900000000, 0.0001875200000000 ] - [ -0.0000549400000000, -0.0007142900000000, 0.0002655700000000 ] - [ 0.0000073700000000, -0.0010795500000000, 0.0011040100000000 ] - [ -0.0043256300000000, -0.0270998200000000, 0.0189658400000000 ] - [ -0.0003397100000000, -0.0020416900000000, -0.0007174500000000 ] - [ 0.0190814400000000, 0.0317303300000000, -0.0044053600000000 ] - [ -0.0068496600000000, 0.0122872600000000, -0.0003587500000000 ] - [ 0.0000695300000000, -0.0045547300000000, -0.0010304600000000 ] - [ 0.0018393500000000, -0.0015036600000000, 0.0027156700000000 ] - [ -0.0001460600000000, -0.0020580900000000, -0.0000971600000000 ] - [ 0.0005498800000000, 0.0002348300000000, -0.0006089300000000 ] - [ -0.0002591100000000, 0.0012351300000000, -0.0011899900000000 ] - [ 0.0163717400000000, -0.0430187500000000, 0.0084422600000000 ] - [ 0.0000736200000000, -0.0032090000000000, 0.0002872300000000 ] - [ 0.0017416000000000, 0.0015136400000000, -0.0012572800000000 ] - [ -0.0006984100000000, -0.0014489500000000, -0.0012836400000000 ] - [ -0.0000329400000000, -0.0013870400000000, 0.0004234200000000 ] - [ 0.0007490100000000, 0.0009812000000000, 0.0004879100000000 ] - [ 0.0000921200000000, -0.0034543400000000, 0.0004016600000000 ] - [ -0.0588956000000000, 0.4672087000000000, -0.0251336400000000 ] - [ 0.0001403400000000, 0.0010782700000000, 0.0000339900000000 ] - [ -0.0006416900000000, -0.0017259800000000, 0.0049839400000000 ] - [ 0.0010374100000000, -0.0008839700000000, -0.0003489800000000 ] - [ 0.0001497800000000, -0.0005013600000000, -0.0003292200000000 ] - [ -0.0004760300000000, 0.0006562600000000, 0.0004187200000000 ] - [ 0.0000392500000000, -0.0019723200000000, -0.0001061500000000 ] - [ 0.0002313700000000, 0.0002025600000000, -0.0002318400000000 ] - [ 0.0000387000000000, -0.0022065700000000, -0.0001216500000000 ] - [ 0.0037694100000000, -0.0026285500000000, -0.0005346500000000 ] - [ -0.0000304800000000, -0.0008850900000000, -0.0000404500000000 ] - [ 0.0000130900000000, 0.0010474800000000, 0.0000356900000000 ] - [ -0.0003239600000000, 0.0000119000000000, -0.0012412000000000 ] - [ -0.0003970900000000, -0.0003464300000000, -0.0008468200000000 ] - [ 0.0009409800000000, 0.0046707200000000, -0.0000535300000000 ] - [ -0.0032525500000000, -0.0034618700000000, -0.0003753600000000 ] - [ -0.0002211800000000, -0.0003914800000000, -0.0010313500000000 ] - [ 0.0001098700000000, 0.0000556800000000, 0.0008692300000000 ] - [ 0.0003899800000000, -0.0011324400000000, -0.0000427400000000 ] - [ -0.0017055700000000, 0.0002934800000000, -0.0045021200000000 ] - [ 0.0000553300000000, -0.0001703800000000, -0.0002912000000000 ] - [ 0.0050151600000000, 0.0060472200000000, 0.0020063000000000 ] - [ -0.0006685100000000, -0.0006747100000000, 0.0008844400000000 ] - [ 0.0004033300000000, -0.0011329300000000, 0.0001102300000000 ] - [ -0.0009805400000000, -0.0014690300000000, 0.0005702800000000 ] - [ 0.0004968600000000, -0.0004589500000000, 0.0003783100000000 ] - [ -0.0069648400000000, 0.0050659900000000, -0.0004248500000000 ] - [ -0.0006937400000000, -0.0023258700000000, 0.0022629800000000 ] - [ -0.0053541700000000, -0.0018163700000000, -0.0002604600000000 ] - [ -0.0000388000000000, -0.0014303000000000, -0.0000776400000000 ] - [ 0.0013854700000000, -0.0025457300000000, 0.0002246600000000 ] - [ -0.0002680800000000, 0.0014395200000000, 0.0000747900000000 ] - [ 0.0002204800000000, 0.0014007900000000, 0.0000127800000000 ] - [ -0.0002180900000000, 0.0007249200000000, 0.0009562700000000 ] - [ -0.0071810300000000, -0.0002189400000000, -0.0060939100000000 ] - [ -0.0003258600000000, 0.0016547700000000, -0.0002445800000000 ] - [ -0.0000442000000000, -0.0008044300000000, 0.0001768900000000 ] - [ 0.0012768300000000, -0.0034762800000000, 0.0032049800000000 ] - [ -0.0007162400000000, 0.0006997900000000, -0.0001797900000000 ] - [ -0.0000583700000000, -0.0008846500000000, 0.0001877300000000 ] - [ -0.0003021700000000, 0.0005631400000000, 0.0001791400000000 ] - [ 0.0002373800000000, 0.0010391400000000, 0.0000529800000000 ] - [ 0.0004382400000000, 0.0008903300000000, 0.0003196900000000 ] - [ 0.0000285900000000, 0.0016833500000000, 0.0001142400000000 ] - [ 0.0023151800000000, -0.0030696400000000, 0.0003078700000000 ] - [ 0.0001504100000000, 0.0001510500000000, -0.0005398700000000 ] - [ -0.0000705900000000, -0.0000463900000000, 0.0007081100000000 ] - [ 0.0000927100000000, 0.0003495900000000, -0.0001800100000000 ] - [ 0.0000061200000000, -0.0010961200000000, 0.0001060300000000 ] - [ 0.0001435400000000, -0.0006384200000000, -0.0003150500000000 ] - [ -0.0000562000000000, 0.0007314200000000, -0.0002781500000000 ] - [ -0.0003472000000000, 0.0011619900000000, -0.0001472500000000 ] - [ 0.0002871100000000, 0.0000724400000000, 0.0003085500000000 ] - [ -0.0004338500000000, 0.0008647400000000, -0.0005324800000000 ] - [ -0.0010011400000000, -0.0019683400000000, -0.0019231900000000 ] - [ -0.0001847700000000, -0.0014070800000000, 0.0000168300000000 ] - [ 0.0011324400000000, -0.0053209200000000, -0.0004699300000000 ] - [ -0.0000209700000000, 0.0004789200000000, 0.0007522200000000 ] - [ -0.0002681600000000, 0.0008930700000000, -0.0002646800000000 ] - [ -0.0000494500000000, 0.0011251800000000, -0.0003327100000000 ] - [ -0.0008441100000000, 0.0013683600000000, 0.0004191700000000 ] - [ -0.0002982400000000, 0.0014294900000000, 0.0005475100000000 ] - [ 0.0002812600000000, 0.0015956300000000, -0.0013858100000000 ] - [ 0.0000192200000000, 0.0001927700000000, 0.0004629800000000 ] - [ -0.0013849800000000, -0.0052486700000000, 0.0005175600000000 ] - [ 0.0491473500000000, -0.2244640100000000, 0.0084761200000000 ] - [ -0.0002977700000000, -0.0005926200000000, 0.0011354900000000 ] - [ -0.0000271900000000, 0.0006767900000000, 0.0008320400000000 ] - [ 0.0009803800000000, 0.0013953100000000, 0.0006218300000000 ] - [ -0.0018497600000000, -0.0028337500000000, 0.0001398400000000 ] - [ -0.0000640500000000, 0.0013742300000000, -0.0000124400000000 ] - [ 0.0002597200000000, -0.0009147800000000, 0.0003323900000000 ] - [ -0.0000587700000000, -0.0007593800000000, -0.0002583700000000 ] - [ 0.0017460700000000, -0.0020283200000000, 0.0006742400000000 ] - [ -0.0000654600000000, 0.0008255900000000, -0.0002567300000000 ] - [ 0.0000375300000000, 0.0012146700000000, 0.0000926300000000 ] - [ -0.0021084200000000, 0.0028947400000000, 0.0011780900000000 ] - [ -0.0001354500000000, 0.0035867000000000, 0.0045399800000000 ] - [ -0.0002918200000000, 0.0013825200000000, -0.0009917700000000 ] - [ -0.0001405200000000, -0.0008544800000000, 0.0001121200000000 ] - [ 0.0007563800000000, 0.0008840700000000, 0.0002080700000000 ] - [ 0.0000310100000000, -0.0001619100000000, -0.0004393900000000 ] - [ -0.0003741300000000, 0.0004341800000000, -0.0004623700000000 ] - [ -0.0005383000000000, -0.0008356900000000, -0.0000004100000000 ] - [ -0.0012660900000000, -0.0024993600000000, -0.0005034500000000 ] - [ 0.0008520000000000, 0.0037486600000000, 0.0002561600000000 ] - [ -0.0001746500000000, -0.0005161000000000, -0.0002925400000000 ] - [ 0.0002588000000000, -0.0009780800000000, -0.0001191100000000 ] - [ -0.0018709200000000, 0.0015389500000000, 0.0001585400000000 ] - [ -0.0000771000000000, 0.0028055500000000, -0.0078324800000000 ] - [ 0.0019677300000000, 0.0026584900000000, -0.0000804500000000 ] - [ 0.0027677200000000, 0.0045545900000000, 0.0001352600000000 ] - [ -0.0003189400000000, 0.0018612600000000, 0.0001650900000000 ] - [ 0.0009418700000000, 0.0012708400000000, 0.0014646800000000 ] - [ 0.0001112000000000, 0.0017625600000000, -0.0001528400000000 ] - [ -0.0001810000000000, 0.0003626700000000, -0.0001295500000000 ] - [ -0.0040067700000000, 0.0020167800000000, 0.0002494200000000 ] - [ 0.0007617500000000, 0.0009076600000000, -0.0005274100000000 ] - [ -0.0000245400000000, -0.0009736900000000, 0.0031188500000000 ] - [ 0.0063238500000000, 0.0042354800000000, 0.0015865500000000 ] - [ 0.0607593800000000, -0.0832082000000000, -0.0018622000000000 ] - [ 0.0000913900000000, 0.0003499900000000, 0.0005904800000000 ] - [ 0.0000396300000000, 0.0005966100000000, -0.0000218400000000 ] - [ 0.0002984400000000, 0.0013164500000000, -0.0004992100000000 ] - [ 0.0006424400000000, 0.0002085100000000, 0.0001868500000000 ] - [ 0.0002220700000000, -0.0002070100000000, -0.0006623300000000 ] - [ 0.0013478400000000, 0.0016306000000000, -0.0017451000000000 ] - [ 0.0000088100000000, 0.0007660800000000, 0.0002312100000000 ] - [ -0.0712384600000000, -0.1326621900000000, 0.0110348800000000 ] - [ -0.0004662100000000, -0.0001098200000000, -0.0028156400000000 ] - [ 0.0000993100000000, -0.0008591800000000, -0.0007412700000000 ] - [ -0.0007916100000000, 0.0027307300000000, -0.0000154400000000 ] - [ 0.0000651500000000, -0.0005381100000000, -0.0000688400000000 ] - [ -0.0055709300000000, 0.0005887700000000, 0.0017273100000000 ] - [ -0.0002668900000000, -0.0011855500000000, -0.0001574700000000 ] - [ 0.0016371600000000, -0.0022387000000000, -0.0017845000000000 ] - [ 0.0083423000000000, -0.0023301000000000, -0.0054568000000000 ] - [ -0.0004151500000000, -0.0043444000000000, 0.0005524100000000 ] - [ -0.0000257500000000, 0.0010749200000000, 0.0015739700000000 ] - [ 0.0002869600000000, -0.0002924900000000, -0.0001888700000000 ] - [ 0.0003031300000000, 0.0020985700000000, 0.0001067300000000 ] - [ -0.0007098800000000, 0.0012689700000000, -0.0002811600000000 ] - [ -0.0006007700000000, 0.0009390800000000, -0.0001223500000000 ] - [ 0.0000438700000000, 0.0010177600000000, -0.0004853700000000 ] - [ -0.0003530700000000, 0.0025680400000000, -0.0003944200000000 ] - [ 0.0006277000000000, 0.0041418900000000, -0.0012490300000000 ] - [ 0.0018109200000000, 0.0004411500000000, -0.0003679700000000 ] - [ -0.0003477400000000, 0.0020216800000000, -0.0032618200000000 ]- atom: 49 displacement: [ -0.0035230240541542, 0.0000000000000000, 0.0093588621911988 ] forces: - [ 0.0007333800000000, -0.0003281800000000, 0.0019251700000000 ] - [ -0.0000666600000000, 0.0002508300000000, -0.0000350300000000 ] - [ 0.0004116500000000, -0.0001535400000000, -0.0000823300000000 ] - [ -0.0000836100000000, 0.0000269600000000, -0.0009503200000000 ] - [ -0.0000149500000000, -0.0003951300000000, -0.0001311600000000 ] - [ -0.0001046200000000, -0.0001158400000000, -0.0000802100000000 ] - [ -0.0001196700000000, 0.0001091300000000, -0.0001117200000000 ] - [ 0.0004029100000000, 0.0003393800000000, 0.0002099300000000 ] - [ -0.0021996500000000, 0.0018893000000000, 0.0020476100000000 ] - [ -0.0000460000000000, 0.0000241100000000, 0.0000611800000000 ] - [ -0.0005920400000000, 0.0004357600000000, 0.0002337200000000 ] - [ -0.0002010700000000, -0.0002672200000000, 0.0002095400000000 ] - [ 0.0006403700000000, 0.0020963900000000, 0.0009803400000000 ] - [ 0.0006113600000000, -0.0001110800000000, 0.0013662900000000 ] - [ -0.0000213000000000, -0.0000823200000000, 0.0000249700000000 ] - [ -0.0008416000000000, -0.0000966100000000, 0.0000719100000000 ] - [ -0.0000520400000000, -0.0002212100000000, -0.0000297700000000 ] - [ -0.0005375900000000, -0.0001949600000000, -0.0001324900000000 ] - [ -0.0004307100000000, 0.0001269700000000, -0.0001316200000000 ] - [ -0.0005725500000000, -0.0003876700000000, -0.0010180700000000 ] - [ 0.0002648100000000, -0.0003494400000000, 0.0001982000000000 ] - [ -0.0000310400000000, 0.0003164500000000, -0.0001292600000000 ] - [ -0.0002634800000000, 0.0000155700000000, 0.0000820000000000 ] - [ -0.0009534000000000, -0.0011480100000000, 0.0011427000000000 ] - [ -0.0000582400000000, -0.0002391800000000, 0.0024409300000000 ] - [ 0.0002196000000000, -0.0002686600000000, 0.0000015900000000 ] - [ -0.0004138300000000, -0.0006418800000000, 0.0006621400000000 ] - [ -0.0002419800000000, -0.0001800200000000, -0.0004509100000000 ] - [ 0.0003262200000000, 0.0000462700000000, -0.0000841600000000 ] - [ -0.0000033700000000, 0.0002243300000000, -0.0000454300000000 ] - [ -0.0001206600000000, 0.0001141200000000, 0.0006083200000000 ] - [ 0.0000859400000000, 0.0001514400000000, 0.0000733300000000 ] - [ 0.0027255400000000, -0.0031887000000000, 0.0002733300000000 ] - [ -0.0006472900000000, -0.0001413200000000, -0.0005642800000000 ] - [ -0.0212967700000000, 0.0108348600000000, -0.0015605200000000 ] - [ -0.0067424400000000, -0.0079105600000000, -0.0052183800000000 ] - [ 0.0008230600000000, 0.0000335400000000, -0.0004470100000000 ] - [ 0.0001721700000000, -0.0003993300000000, -0.0005203300000000 ] - [ -0.0000539600000000, -0.0002583900000000, -0.0000525400000000 ] - [ 0.0001180200000000, 0.0004033700000000, 0.0005192200000000 ] - [ 0.0000649900000000, 0.0004133100000000, 0.0005814800000000 ] - [ 0.0159710300000000, -0.0011198600000000, -0.0048908900000000 ] - [ 0.0000295000000000, -0.0004593300000000, 0.0000567500000000 ] - [ -0.0013542700000000, 0.0004261600000000, -0.0004600100000000 ] - [ -0.0001062200000000, -0.0000786100000000, -0.0000807000000000 ] - [ -0.0001973100000000, 0.0004249000000000, -0.0002945400000000 ] - [ -0.0020626900000000, 0.0008309600000000, 0.0001347000000000 ] - [ -0.0000386400000000, -0.0000651700000000, 0.0003907700000000 ] - [ 0.1922426500000000, 0.0019189500000000, -0.1524394700000000 ] - [ -0.0000228500000000, 0.0001822600000000, 0.0001522200000000 ] - [ 0.0001821100000000, -0.0001361600000000, 0.0005075600000000 ] - [ 0.0001319500000000, -0.0000505600000000, 0.0002848700000000 ] - [ 0.0001836800000000, 0.0004477100000000, -0.0000624000000000 ] - [ -0.0001453700000000, 0.0000954500000000, 0.0002812500000000 ] - [ 0.0000932500000000, -0.0003097200000000, 0.0000195600000000 ] - [ -0.0004111600000000, 0.0022087300000000, 0.0023842500000000 ] - [ 0.0000706200000000, 0.0002491900000000, -0.0001110400000000 ] - [ 0.0003305600000000, 0.0003050900000000, -0.0004759100000000 ] - [ -0.0000411900000000, 0.0001771800000000, -0.0000733300000000 ] - [ 0.0001883200000000, -0.0001802300000000, 0.0000346000000000 ] - [ -0.0006559000000000, 0.0002740900000000, -0.0004204400000000 ] - [ 0.0002709000000000, 0.0001505900000000, 0.0002411900000000 ] - [ -0.0028588800000000, 0.0001736700000000, 0.0002856200000000 ] - [ -0.0011431200000000, -0.0010808600000000, -0.0000084800000000 ] - [ -0.0003102800000000, 0.0002772500000000, -0.0001501600000000 ] - [ -0.0000474900000000, -0.0000017500000000, -0.0000806600000000 ] - [ -0.0000827400000000, 0.0000558900000000, 0.0001101300000000 ] - [ 0.0014096600000000, 0.0012236800000000, -0.0008336100000000 ] - [ -0.0003525900000000, 0.0004695800000000, 0.0001606500000000 ] - [ 0.0007406300000000, 0.0009761900000000, -0.0012336300000000 ] - [ -0.0002300600000000, -0.0000454600000000, 0.0003437400000000 ] - [ 0.0001425500000000, 0.0002363000000000, 0.0000357700000000 ] - [ -0.0001591200000000, -0.0003954900000000, 0.0001767100000000 ] - [ -0.0003241400000000, 0.0000450600000000, 0.0003676200000000 ] - [ -0.0013040400000000, 0.0000412900000000, 0.0020714300000000 ] - [ -0.0000968300000000, -0.0000887200000000, -0.0000929100000000 ] - [ 0.0002679600000000, -0.0008103100000000, -0.0001609400000000 ] - [ 0.0000181200000000, -0.0003330800000000, -0.0001089200000000 ] - [ 0.0003044500000000, 0.0008574000000000, 0.0000671600000000 ] - [ -0.0003977600000000, 0.0003583300000000, 0.0001249500000000 ] - [ 0.0002536400000000, 0.0004160700000000, 0.0000174700000000 ] - [ -0.0000590600000000, -0.0000227700000000, 0.0003784900000000 ] - [ -0.0003489400000000, -0.0006801600000000, 0.0010605500000000 ] - [ -0.0001355200000000, 0.0003976600000000, -0.0001267800000000 ] - [ 0.0001482800000000, -0.0001857700000000, 0.0001655700000000 ] - [ 0.0018288000000000, 0.0006473100000000, -0.0008737300000000 ] - [ 0.0003824000000000, -0.0000816300000000, -0.0001725200000000 ] - [ 0.0007301000000000, -0.0012865200000000, -0.0005456400000000 ] - [ -0.0001191400000000, 0.0000299600000000, 0.0001824000000000 ] - [ 0.0002815800000000, -0.0003386400000000, 0.0000528900000000 ] - [ 0.0001221200000000, 0.0000708700000000, 0.0001643000000000 ] - [ -0.0001392200000000, 0.0005590600000000, 0.0001681200000000 ] - [ -0.0019727900000000, 0.0013963200000000, 0.0025345300000000 ] - [ 0.0005749400000000, -0.0001337500000000, 0.0003589400000000 ] - [ -0.0001204000000000, -0.0007673800000000, 0.0001230100000000 ] - [ 0.0001096600000000, -0.0005480500000000, -0.0001936200000000 ] - [ 0.0002850900000000, 0.0002559700000000, -0.0002404700000000 ] - [ 0.0001220400000000, -0.0004588700000000, -0.0002891300000000 ] - [ -0.0002000500000000, 0.0000458700000000, 0.0001986000000000 ] - [ -0.0001428600000000, 0.0004178400000000, -0.0001015800000000 ] - [ 0.0008344400000000, -0.0000657600000000, -0.0004126500000000 ] - [ -0.0002930900000000, 0.0000592200000000, -0.0003611100000000 ] - [ 0.0003395600000000, -0.0001098600000000, 0.0011162500000000 ] - [ 0.0000003700000000, -0.0005564400000000, -0.0000382300000000 ] - [ 0.0029856700000000, -0.0006715500000000, -0.0004980000000000 ] - [ 0.0002303700000000, 0.0000423500000000, 0.0002064200000000 ] - [ -0.0002762800000000, 0.0000520000000000, -0.0000674600000000 ] - [ 0.0002527400000000, 0.0002596400000000, -0.0004248600000000 ] - [ 0.0000546800000000, -0.0000835400000000, -0.0000805900000000 ] - [ -0.0001737900000000, 0.0003143200000000, 0.0002913700000000 ] - [ -0.0002154700000000, -0.0002743600000000, 0.0003314300000000 ] - [ 0.0004544700000000, -0.0002587400000000, 0.0001499500000000 ] - [ 0.0010119800000000, -0.0009289400000000, 0.0018002700000000 ] - [ -0.0237503900000000, 0.0080851100000000, 0.0478385100000000 ] - [ 0.0002213200000000, -0.0005753200000000, 0.0002129500000000 ] - [ 0.0000156000000000, -0.0001032000000000, -0.0001557200000000 ] - [ 0.0002672400000000, 0.0000601000000000, 0.0001439800000000 ] - [ 0.0026222800000000, 0.0000689200000000, 0.0002367100000000 ] - [ -0.0000418100000000, -0.0003113200000000, -0.0001060900000000 ] - [ 0.0000604900000000, -0.0001695300000000, 0.0001712400000000 ] - [ -0.0000542400000000, 0.0003646000000000, -0.0003232400000000 ] - [ 0.0003465100000000, 0.0011823700000000, 0.0003127300000000 ] - [ -0.0001680700000000, -0.0000779100000000, -0.0002868700000000 ] - [ 0.0001082400000000, 0.0001879600000000, 0.0000364500000000 ] - [ -0.0004923800000000, -0.0004800700000000, 0.0000832600000000 ] - [ -0.0011791700000000, -0.0009541700000000, 0.0001926300000000 ] - [ -0.0000241300000000, -0.0000827000000000, -0.0003080800000000 ] - [ -0.0002761400000000, -0.0005111200000000, -0.0017595300000000 ] - [ 0.0004386200000000, 0.0000219600000000, 0.0000502500000000 ] - [ 0.0005256600000000, 0.0003150200000000, -0.0000308200000000 ] - [ -0.0001421800000000, 0.0000358600000000, -0.0001637000000000 ] - [ -0.0000259900000000, -0.0001012500000000, 0.0005795100000000 ] - [ 0.0036082800000000, -0.0004340300000000, 0.0003253400000000 ] - [ 0.0002463900000000, 0.0012097800000000, 0.0000984800000000 ] - [ -0.0004588300000000, 0.0002331900000000, -0.0005470800000000 ] - [ -0.0001048500000000, 0.0004498700000000, -0.0003036400000000 ] - [ 0.0008474100000000, -0.0003608900000000, 0.0001893800000000 ] - [ -0.0007897200000000, 0.0009327700000000, -0.0004970500000000 ] - [ -0.0000088600000000, 0.0010420700000000, -0.0001841200000000 ] - [ -0.0012757900000000, 0.0016387100000000, -0.0004814800000000 ] - [ -0.0002071200000000, -0.0004854700000000, 0.0001769000000000 ] - [ -0.0011862600000000, -0.0001420300000000, 0.0002270300000000 ] - [ 0.0000524100000000, 0.0001321000000000, -0.0003308800000000 ] - [ -0.0001222500000000, 0.0000078400000000, 0.0002254800000000 ] - [ -0.0005036100000000, -0.0013367400000000, 0.0004969700000000 ] - [ 0.0003010800000000, 0.0000725600000000, -0.0001238200000000 ] - [ -0.0006185700000000, -0.0011185300000000, -0.0002572600000000 ] - [ -0.0012526400000000, 0.0003243600000000, 0.0001955100000000 ] - [ -0.0969972200000000, 0.0213030000000000, 0.0523609500000000 ] - [ 0.0002716500000000, -0.0000569600000000, 0.0002904400000000 ] - [ 0.0001686000000000, -0.0000814700000000, -0.0002248300000000 ] - [ 0.0001225700000000, 0.0001048200000000, -0.0001594500000000 ] - [ 0.0001815100000000, -0.0002654100000000, -0.0004508100000000 ] - [ 0.0000555000000000, 0.0005808400000000, -0.0000514100000000 ] - [ -0.0001363200000000, 0.0002267000000000, -0.0001925700000000 ] - [ -0.0001486900000000, 0.0001287900000000, 0.0001509600000000 ] - [ -0.0608334800000000, -0.0347020200000000, 0.0562566400000000 ] - [ 0.0000152700000000, -0.0000616000000000, -0.0003787000000000 ] - [ 0.0002934000000000, -0.0003061900000000, -0.0003980400000000 ] - [ -0.0003005700000000, -0.0003841000000000, -0.0000867100000000 ] - [ 0.0000257900000000, -0.0002019300000000, -0.0001055100000000 ] - [ -0.0008364000000000, -0.0009998600000000, 0.0004884600000000 ] - [ -0.0001956100000000, 0.0001299500000000, -0.0000849300000000 ] - [ 0.0006861200000000, -0.0002299400000000, -0.0021661800000000 ] - [ -0.0002778200000000, 0.0027113400000000, -0.0006864200000000 ] - [ 0.0021161300000000, -0.0014956400000000, -0.0030932300000000 ] - [ -0.0001460400000000, -0.0000389100000000, 0.0005002000000000 ] - [ 0.0001733600000000, 0.0001318000000000, -0.0004317700000000 ] - [ 0.0000479700000000, -0.0001263900000000, 0.0000503800000000 ] - [ 0.0007923600000000, -0.0007344100000000, -0.0000299400000000 ] - [ -0.0004750200000000, 0.0002951000000000, -0.0000234300000000 ] - [ 0.0003347100000000, 0.0000058900000000, -0.0002947400000000 ] - [ -0.0002445600000000, 0.0001295900000000, -0.0001288900000000 ] - [ -0.0006114700000000, -0.0006084600000000, -0.0003403300000000 ] - [ 0.0008222300000000, -0.0002184400000000, -0.0000438100000000 ] - [ 0.0001864600000000, 0.0001078400000000, 0.0002737000000000 ]- atom: 49 displacement: [ 0.0035230240541542, 0.0000000000000000, -0.0093588621911988 ] forces: - [ -0.0005525600000000, 0.0001174300000000, -0.0017634400000000 ] - [ -0.0000607400000000, 0.0001884800000000, -0.0000220800000000 ] - [ 0.0002060500000000, 0.0001441400000000, -0.0000650900000000 ] - [ 0.0001784100000000, -0.0006941700000000, 0.0012222100000000 ] - [ -0.0000778800000000, -0.0002686400000000, -0.0001475100000000 ] - [ -0.0000855100000000, -0.0000974100000000, -0.0001054800000000 ] - [ -0.0000693100000000, 0.0001035400000000, -0.0000724700000000 ] - [ 0.0004649700000000, -0.0000060100000000, 0.0000083500000000 ] - [ 0.0022840900000000, -0.0020182400000000, -0.0021707100000000 ] - [ -0.0000125300000000, 0.0000802600000000, 0.0000530500000000 ] - [ 0.0006893500000000, 0.0002275200000000, 0.0000477300000000 ] - [ 0.0003260900000000, -0.0001738300000000, -0.0001532800000000 ] - [ 0.0002303200000000, -0.0024010200000000, -0.0007644900000000 ] - [ -0.0005478600000000, 0.0002093100000000, -0.0014595300000000 ] - [ -0.0000373900000000, -0.0000213300000000, 0.0000876300000000 ] - [ 0.0002279700000000, 0.0000876300000000, 0.0000747800000000 ] - [ -0.0000758500000000, -0.0002180800000000, -0.0000247800000000 ] - [ -0.0003298800000000, -0.0001402300000000, -0.0000838800000000 ] - [ -0.0004372800000000, 0.0002108800000000, -0.0000860500000000 ] - [ 0.0006978200000000, 0.0008277200000000, 0.0010815200000000 ] - [ 0.0003537100000000, 0.0003640900000000, -0.0003440500000000 ] - [ -0.0000610000000000, 0.0003483100000000, -0.0001510600000000 ] - [ -0.0003543200000000, -0.0000066700000000, 0.0000617400000000 ] - [ 0.0011333600000000, 0.0013455300000000, -0.0009641900000000 ] - [ 0.0005842800000000, -0.0000819700000000, -0.0015231300000000 ] - [ -0.0001502700000000, -0.0002036600000000, 0.0002967000000000 ] - [ 0.0000405000000000, -0.0003883700000000, -0.0000007500000000 ] - [ -0.0002823200000000, -0.0001402100000000, -0.0004682500000000 ] - [ -0.0003981100000000, 0.0004208200000000, -0.0002074000000000 ] - [ 0.0001911200000000, 0.0000839200000000, -0.0008237800000000 ] - [ -0.0000638100000000, 0.0002032300000000, 0.0002635700000000 ] - [ 0.0000296800000000, 0.0002265900000000, 0.0000170700000000 ] - [ -0.0031447800000000, 0.0042081000000000, 0.0004665600000000 ] - [ 0.0001219300000000, 0.0004603400000000, -0.0003556700000000 ] - [ 0.0210539500000000, -0.0111625100000000, 0.0013056700000000 ] - [ 0.0068993400000000, 0.0075695400000000, 0.0043619900000000 ] - [ -0.0004288600000000, 0.0001542000000000, 0.0003700700000000 ] - [ 0.0002013300000000, -0.0006266000000000, -0.0001333300000000 ] - [ -0.0000159400000000, -0.0002149000000000, -0.0002348100000000 ] - [ 0.0002802100000000, -0.0005733700000000, -0.0006043500000000 ] - [ -0.0001856300000000, -0.0000452700000000, -0.0006747500000000 ] - [ -0.0154709000000000, 0.0015457100000000, 0.0057601100000000 ] - [ 0.0000880400000000, 0.0000883900000000, 0.0000293100000000 ] - [ 0.0009556800000000, -0.0002368300000000, 0.0005286600000000 ] - [ -0.0002920400000000, -0.0001067200000000, 0.0001710800000000 ] - [ 0.0005696200000000, 0.0006020400000000, -0.0003741900000000 ] - [ 0.0021298800000000, -0.0003513900000000, 0.0001551600000000 ] - [ -0.0001480800000000, -0.0002447800000000, 0.0004799900000000 ] - [ -0.1931161100000000, 0.0003479300000000, 0.1520310400000000 ] - [ 0.0000972100000000, 0.0002171300000000, 0.0000170600000000 ] - [ 0.0002663900000000, 0.0002052600000000, -0.0011986200000000 ] - [ 0.0001617800000000, -0.0000824000000000, 0.0002614200000000 ] - [ 0.0002357700000000, 0.0002118500000000, -0.0001772700000000 ] - [ -0.0002796200000000, 0.0005714100000000, -0.0000427300000000 ] - [ 0.0002231500000000, -0.0001657100000000, 0.0000343300000000 ] - [ 0.0007073300000000, -0.0029528600000000, -0.0028067500000000 ] - [ -0.0000381300000000, 0.0003636700000000, -0.0001054200000000 ] - [ 0.0001027000000000, -0.0009713400000000, 0.0002337600000000 ] - [ -0.0000295200000000, 0.0002176900000000, -0.0000948000000000 ] - [ -0.0002214200000000, -0.0004361900000000, 0.0001824100000000 ] - [ 0.0003668600000000, -0.0001416800000000, -0.0001153200000000 ] - [ 0.0000248700000000, -0.0000153100000000, 0.0002986100000000 ] - [ 0.0028230100000000, 0.0004278400000000, -0.0000671000000000 ] - [ 0.0007352200000000, 0.0004282700000000, 0.0002483300000000 ] - [ 0.0000368100000000, -0.0004030000000000, -0.0003728500000000 ] - [ 0.0002997900000000, -0.0002600800000000, -0.0000675200000000 ] - [ -0.0001715000000000, 0.0002044100000000, 0.0000302900000000 ] - [ -0.0011182300000000, -0.0004563500000000, 0.0003931800000000 ] - [ 0.0000488800000000, 0.0003126200000000, 0.0002935300000000 ] - [ -0.0004817600000000, -0.0007125200000000, 0.0011092400000000 ] - [ -0.0002194900000000, -0.0000229300000000, 0.0003485900000000 ] - [ 0.0001735300000000, 0.0002406000000000, 0.0000182000000000 ] - [ -0.0001405800000000, -0.0003847200000000, 0.0002800100000000 ] - [ -0.0001241100000000, 0.0000236500000000, 0.0003281400000000 ] - [ 0.0017863000000000, -0.0001189600000000, -0.0027790800000000 ] - [ -0.0001580000000000, -0.0001727400000000, 0.0002375800000000 ] - [ -0.0003459700000000, 0.0004117800000000, -0.0000073200000000 ] - [ 0.0000147600000000, -0.0002766500000000, -0.0001073100000000 ] - [ -0.0002339500000000, -0.0012468400000000, 0.0001010200000000 ] - [ 0.0000799500000000, 0.0001118000000000, -0.0001790900000000 ] - [ 0.0002198800000000, 0.0003857900000000, 0.0000477100000000 ] - [ -0.0000719400000000, 0.0000037800000000, 0.0004510100000000 ] - [ -0.0002143900000000, 0.0005145600000000, -0.0006135200000000 ] - [ -0.0001359700000000, 0.0003787600000000, -0.0001160900000000 ] - [ -0.0000795900000000, 0.0000694200000000, 0.0004997200000000 ] - [ -0.0013651500000000, -0.0005846600000000, 0.0010785300000000 ] - [ 0.0001040800000000, -0.0000246300000000, -0.0000810900000000 ] - [ -0.0012780500000000, 0.0013518000000000, 0.0003362400000000 ] - [ -0.0002726800000000, -0.0000995500000000, 0.0002282200000000 ] - [ 0.0001922400000000, -0.0004643800000000, 0.0000129700000000 ] - [ 0.0001062200000000, 0.0000676200000000, 0.0001142100000000 ] - [ -0.0001382300000000, 0.0005255800000000, 0.0001794800000000 ] - [ 0.0014536600000000, -0.0008958000000000, -0.0017123500000000 ] - [ -0.0000041100000000, 0.0001062700000000, 0.0002205500000000 ] - [ -0.0000302100000000, -0.0004093100000000, 0.0002149500000000 ] - [ 0.0001092100000000, -0.0005758100000000, -0.0001742900000000 ] - [ -0.0000157300000000, 0.0005269200000000, 0.0004851200000000 ] - [ 0.0000312400000000, -0.0007251300000000, -0.0000502600000000 ] - [ -0.0001914900000000, 0.0000217500000000, 0.0002163600000000 ] - [ -0.0002456100000000, 0.0004496100000000, 0.0000429900000000 ] - [ -0.0007077400000000, 0.0000842800000000, -0.0004273900000000 ] - [ -0.0002773500000000, -0.0000309800000000, -0.0002098200000000 ] - [ 0.0002275300000000, 0.0001344800000000, -0.0005579000000000 ] - [ -0.0002232900000000, -0.0005725100000000, 0.0004046500000000 ] - [ -0.0027171100000000, -0.0004112200000000, 0.0001567600000000 ] - [ -0.0004716000000000, 0.0000482100000000, -0.0000162200000000 ] - [ -0.0002080900000000, 0.0000185200000000, -0.0001450300000000 ] - [ 0.0002287500000000, 0.0002505400000000, -0.0004120300000000 ] - [ 0.0001837400000000, -0.0000067700000000, -0.0001149700000000 ] - [ -0.0001585400000000, 0.0002275400000000, 0.0002959500000000 ] - [ -0.0001162600000000, -0.0002681400000000, 0.0002523400000000 ] - [ 0.0001143200000000, 0.0001647000000000, 0.0000604000000000 ] - [ -0.0006905300000000, 0.0014712800000000, -0.0023955100000000 ] - [ 0.0242658400000000, -0.0092029000000000, -0.0472465200000000 ] - [ -0.0007063000000000, 0.0000674900000000, 0.0006215900000000 ] - [ 0.0002177600000000, 0.0001885100000000, -0.0000351800000000 ] - [ 0.0002975600000000, 0.0000294800000000, 0.0000605100000000 ] - [ -0.0022999300000000, 0.0000787800000000, 0.0000984400000000 ] - [ -0.0002302300000000, -0.0004659500000000, -0.0001365700000000 ] - [ 0.0002659900000000, 0.0000321400000000, 0.0001597300000000 ] - [ -0.0004198400000000, 0.0004426200000000, 0.0002563200000000 ] - [ -0.0006137900000000, -0.0014157800000000, 0.0000176800000000 ] - [ -0.0001578900000000, -0.0000670000000000, -0.0000456800000000 ] - [ 0.0001107900000000, 0.0001421600000000, 0.0000805400000000 ] - [ 0.0001009100000000, -0.0003761100000000, -0.0001409700000000 ] - [ 0.0009522600000000, 0.0008212200000000, -0.0004915200000000 ] - [ -0.0000450400000000, -0.0000383000000000, -0.0003569900000000 ] - [ 0.0000438100000000, 0.0006397700000000, 0.0014637000000000 ] - [ 0.0005059200000000, 0.0001228800000000, 0.0000728000000000 ] - [ 0.0004372300000000, 0.0002698200000000, -0.0001034100000000 ] - [ -0.0003457100000000, -0.0001088100000000, -0.0000541300000000 ] - [ -0.0002274800000000, 0.0000018400000000, -0.0003821400000000 ] - [ -0.0037997700000000, 0.0001070200000000, -0.0004365200000000 ] - [ -0.0000978000000000, -0.0000401400000000, -0.0004410500000000 ] - [ -0.0004789700000000, -0.0000951500000000, 0.0004252500000000 ] - [ 0.0003860200000000, 0.0006389700000000, -0.0000442200000000 ] - [ 0.0000916900000000, 0.0002173900000000, -0.0000648900000000 ] - [ 0.0011742400000000, -0.0009871700000000, 0.0000935300000000 ] - [ 0.0002307500000000, 0.0000902700000000, -0.0001832600000000 ] - [ 0.0003282400000000, -0.0018095300000000, 0.0003629400000000 ] - [ -0.0000700300000000, -0.0006002300000000, 0.0001715800000000 ] - [ 0.0006286400000000, 0.0000564200000000, -0.0004408900000000 ] - [ -0.0001211700000000, -0.0000098500000000, -0.0003321000000000 ] - [ -0.0004301300000000, 0.0001654700000000, 0.0002510200000000 ] - [ 0.0002954700000000, 0.0024459300000000, -0.0001311400000000 ] - [ 0.0001850400000000, 0.0000320900000000, -0.0001260600000000 ] - [ 0.0003898400000000, 0.0010005900000000, 0.0006841000000000 ] - [ 0.0003028300000000, -0.0008996100000000, -0.0000619200000000 ] - [ 0.0978086500000000, -0.0225699400000000, -0.0513623200000000 ] - [ -0.0000419800000000, -0.0000822000000000, -0.0000065900000000 ] - [ 0.0000639300000000, -0.0000517700000000, -0.0001990500000000 ] - [ 0.0001093900000000, 0.0000275200000000, -0.0002666100000000 ] - [ 0.0003005300000000, -0.0002464600000000, -0.0003829200000000 ] - [ 0.0003361800000000, 0.0002826700000000, 0.0001086100000000 ] - [ -0.0003497300000000, -0.0003302800000000, 0.0004451200000000 ] - [ -0.0001285600000000, 0.0001114700000000, 0.0001795800000000 ] - [ 0.0601147600000000, 0.0328272900000000, -0.0564905400000000 ] - [ 0.0004728200000000, -0.0000067800000000, 0.0005963500000000 ] - [ 0.0000393200000000, -0.0002308900000000, -0.0001815300000000 ] - [ 0.0005780800000000, 0.0001381800000000, -0.0002450700000000 ] - [ 0.0001019100000000, 0.0001829400000000, -0.0007360600000000 ] - [ 0.0006752200000000, 0.0021843600000000, -0.0001330700000000 ] - [ -0.0000217600000000, 0.0002035000000000, -0.0000335900000000 ] - [ -0.0003005200000000, 0.0002990700000000, 0.0017607400000000 ] - [ -0.0002104400000000, -0.0026484100000000, 0.0009351000000000 ] - [ -0.0023104600000000, 0.0016071700000000, 0.0034948500000000 ] - [ 0.0000142100000000, 0.0000570300000000, 0.0003357300000000 ] - [ 0.0000991800000000, 0.0001041200000000, 0.0001005700000000 ] - [ 0.0001711200000000, -0.0002057800000000, 0.0000663100000000 ] - [ 0.0001750500000000, 0.0001420000000000, -0.0001012700000000 ] - [ -0.0004887800000000, 0.0002929100000000, 0.0001555800000000 ] - [ 0.0002189800000000, -0.0001776900000000, -0.0001758900000000 ] - [ -0.0000802400000000, 0.0000085700000000, -0.0002031300000000 ] - [ 0.0000409600000000, 0.0005852300000000, -0.0002373200000000 ] - [ -0.0004398800000000, -0.0006504900000000, 0.0001070400000000 ] - [ 0.0003672800000000, 0.0000686400000000, -0.0007569300000000 ]- atom: 50 displacement: [ 0.0099999639143206, 0.0000000000000000, -0.0000268647033593 ] forces: - [ 0.0015714200000000, -0.0000622900000000, 0.0000769000000000 ] - [ 0.0001030500000000, -0.0001770500000000, 0.0005104900000000 ] - [ 0.0002754800000000, -0.0000304700000000, -0.0000495700000000 ] - [ 0.0000341000000000, -0.0007046100000000, -0.0000760700000000 ] - [ -0.0000157900000000, -0.0006469600000000, -0.0004879600000000 ] - [ 0.0001270800000000, -0.0001780500000000, -0.0000964000000000 ] - [ 0.0001528700000000, 0.0005475000000000, 0.0004269100000000 ] - [ 0.0004469700000000, 0.0001916800000000, 0.0000630300000000 ] - [ 0.0000119200000000, 0.0002752500000000, -0.0002571000000000 ] - [ -0.0003128000000000, 0.0000663500000000, 0.0000138800000000 ] - [ -0.0012993100000000, 0.0000602600000000, 0.0002787500000000 ] - [ 0.0015068800000000, -0.0001132000000000, -0.0000577700000000 ] - [ -0.0004699200000000, 0.0000236600000000, 0.0007001100000000 ] - [ -0.0012296500000000, 0.0002134200000000, -0.0001201000000000 ] - [ -0.0000566300000000, 0.0001541000000000, -0.0002010100000000 ] - [ -0.0014191900000000, -0.0001371200000000, 0.0007291100000000 ] - [ 0.0001605700000000, -0.0002430400000000, -0.0000614400000000 ] - [ -0.0004696600000000, -0.0001955700000000, -0.0000892000000000 ] - [ 0.0038472800000000, 0.0021070500000000, -0.0040610100000000 ] - [ 0.0001165800000000, -0.0000921000000000, 0.0001793800000000 ] - [ 0.0052216800000000, -0.0018340700000000, -0.0046826600000000 ] - [ -0.0003178700000000, 0.0001825500000000, -0.0001109900000000 ] - [ -0.0002901600000000, -0.0000712400000000, 0.0000126700000000 ] - [ 0.0001096800000000, 0.0003588100000000, 0.0002483300000000 ] - [ 0.0120769800000000, 0.0273621100000000, -0.0000388700000000 ] - [ 0.0167684500000000, -0.0305722300000000, -0.0005276100000000 ] - [ -0.0001865500000000, -0.0004186900000000, 0.0004556800000000 ] - [ -0.0005493000000000, 0.0004144200000000, -0.0005960800000000 ] - [ -0.0000985100000000, 0.0002852200000000, 0.0006316700000000 ] - [ -0.0009041300000000, -0.0001898400000000, -0.0006694900000000 ] - [ -0.0263346500000000, -0.0050687200000000, 0.0002045300000000 ] - [ 0.0055670300000000, 0.0000631600000000, -0.0010635600000000 ] - [ 0.0026403200000000, 0.0001761500000000, 0.0009156300000000 ] - [ -0.0003395100000000, 0.0001826700000000, 0.0001392700000000 ] - [ 0.0003283000000000, -0.0002018500000000, 0.0028607600000000 ] - [ 0.0003077900000000, -0.0001756900000000, -0.0022600100000000 ] - [ 0.0002803600000000, 0.0000286100000000, 0.0000140300000000 ] - [ 0.0214437300000000, 0.0053744300000000, 0.0158790100000000 ] - [ -0.0002978500000000, -0.0011623600000000, -0.0002960300000000 ] - [ 0.0194680400000000, -0.0060874100000000, 0.0148077300000000 ] - [ 0.0017482900000000, 0.0000756800000000, -0.0003085900000000 ] - [ 0.0002407800000000, 0.0001275600000000, 0.0004423600000000 ] - [ 0.0001348700000000, -0.0002220200000000, 0.0003330600000000 ] - [ 0.0020661200000000, 0.0003380600000000, 0.0013181100000000 ] - [ -0.0000923200000000, -0.0003746800000000, 0.0001857200000000 ] - [ 0.0003064200000000, 0.0004486800000000, -0.0002947000000000 ] - [ 0.0000338800000000, 0.0001665700000000, 0.0001730000000000 ] - [ -0.0001160200000000, -0.0002247700000000, 0.0003615300000000 ] - [ -0.0000738200000000, -0.0003538900000000, -0.0000476200000000 ] - [ -0.4899186700000000, 0.0015323800000000, -0.0153126700000000 ] - [ -0.0000612300000000, -0.0000091700000000, -0.0004169600000000 ] - [ 0.0001774000000000, -0.0001402900000000, 0.0000535600000000 ] - [ 0.0005379500000000, 0.0002721600000000, -0.0002029100000000 ] - [ 0.0088795500000000, 0.0004646500000000, -0.0017016000000000 ] - [ 0.0001897000000000, -0.0002421000000000, 0.0000207600000000 ] - [ 0.0025087400000000, 0.0003511600000000, 0.0042836800000000 ] - [ 0.0000504200000000, 0.0002365700000000, -0.0001017600000000 ] - [ 0.0002040600000000, -0.0005315300000000, 0.0004606100000000 ] - [ -0.0002330600000000, 0.0000726600000000, -0.0000937200000000 ] - [ -0.0004707400000000, -0.0020596600000000, 0.0001590200000000 ] - [ -0.0003423800000000, 0.0001004100000000, -0.0002842000000000 ] - [ -0.0064268200000000, -0.0031186700000000, 0.0001408700000000 ] - [ 0.0000816500000000, 0.0003209900000000, 0.0001543300000000 ] - [ -0.0002001900000000, -0.0003669300000000, 0.0001430500000000 ] - [ 0.0000435200000000, 0.0007426900000000, -0.0050186100000000 ] - [ 0.0002390200000000, -0.0002862300000000, -0.0000841100000000 ] - [ -0.0000391200000000, 0.0000019200000000, 0.0001494400000000 ] - [ 0.0002670300000000, 0.0004161200000000, -0.0001880500000000 ] - [ 0.0023084900000000, -0.0008817600000000, -0.0000214400000000 ] - [ 0.0011028800000000, -0.0001185300000000, 0.0053643400000000 ] - [ -0.0002031200000000, -0.0000035300000000, 0.0001889500000000 ] - [ -0.0013698000000000, 0.0055827600000000, -0.0002334100000000 ] - [ -0.0000638800000000, -0.0003199700000000, 0.0002670300000000 ] - [ -0.0075832500000000, 0.0038536500000000, -0.0010172000000000 ] - [ 0.0006092900000000, -0.0009005800000000, -0.0042377400000000 ] - [ 0.0015745600000000, 0.0018148800000000, 0.0002735900000000 ] - [ -0.0001583800000000, -0.0000729600000000, -0.0002890800000000 ] - [ -0.0011207500000000, -0.0049043200000000, -0.0002403300000000 ] - [ 0.0000079900000000, -0.0002275600000000, 0.0000754400000000 ] - [ -0.0006028500000000, 0.0015979700000000, 0.0001019100000000 ] - [ 0.0029544000000000, -0.0004736300000000, 0.0007188600000000 ] - [ -0.0000758900000000, 0.0001394300000000, 0.0007019600000000 ] - [ -0.0023264600000000, -0.0003138000000000, -0.0028961400000000 ] - [ -0.0006663600000000, -0.0015536800000000, 0.0002358400000000 ] - [ -0.0001739100000000, -0.0008286300000000, 0.0002890400000000 ] - [ 0.0009988300000000, 0.0001154400000000, 0.0020126300000000 ] - [ 0.0042530900000000, -0.0050505800000000, -0.0057071300000000 ] - [ -0.0029070000000000, -0.0003652100000000, -0.0024664500000000 ] - [ 0.0014089700000000, -0.0010207000000000, -0.0001503900000000 ] - [ 0.0002864700000000, -0.0004081100000000, 0.0000243000000000 ] - [ 0.0001655300000000, 0.0000144300000000, 0.0000675400000000 ] - [ -0.0010184700000000, 0.0024968500000000, 0.0004857800000000 ] - [ 0.0005589200000000, 0.0002900100000000, 0.0023392200000000 ] - [ 0.0002145900000000, 0.0000714400000000, 0.0003112100000000 ] - [ -0.0002463300000000, -0.0005309100000000, 0.0001981000000000 ] - [ 0.0004906600000000, -0.0004387500000000, -0.0001609200000000 ] - [ -0.0016532800000000, -0.0019744700000000, -0.0000775100000000 ] - [ -0.0042820100000000, -0.0003987400000000, 0.0007097300000000 ] - [ -0.0001688300000000, -0.0000394100000000, 0.0004066200000000 ] - [ -0.0004671000000000, 0.0006227800000000, 0.0000257700000000 ] - [ 0.0001962400000000, 0.0000481500000000, -0.0004712400000000 ] - [ -0.0002719800000000, 0.0001725700000000, -0.0004245300000000 ] - [ -0.0026585700000000, 0.0037990000000000, -0.0061640200000000 ] - [ 0.0635556600000000, -0.0014169600000000, -0.0004825200000000 ] - [ 0.0000166400000000, -0.0005210100000000, -0.0005066600000000 ] - [ 0.0000223700000000, 0.0001269100000000, 0.0000530900000000 ] - [ -0.0001682800000000, 0.0000479000000000, -0.0000055500000000 ] - [ 0.0002902800000000, 0.0002758300000000, -0.0003317600000000 ] - [ 0.0000627100000000, -0.0000122500000000, -0.0000351800000000 ] - [ -0.0001706200000000, 0.0004495200000000, 0.0001765600000000 ] - [ -0.0015347200000000, -0.0006827100000000, 0.0008714400000000 ] - [ -0.0026957300000000, 0.0023762600000000, -0.0023164400000000 ] - [ 0.0005003200000000, 0.0017246900000000, -0.0035784000000000 ] - [ -0.0001906800000000, 0.0001927800000000, -0.0000168800000000 ] - [ 0.0000425800000000, -0.0002776900000000, 0.0004694800000000 ] - [ 0.0046614800000000, 0.0058151500000000, -0.0062925800000000 ] - [ 0.0001593400000000, 0.0000387300000000, 0.0000582100000000 ] - [ -0.0000199700000000, -0.0000786500000000, -0.0001280800000000 ] - [ -0.0002154000000000, -0.0003673800000000, -0.0002803200000000 ] - [ 0.0000515600000000, 0.0010323800000000, 0.0001363800000000 ] - [ 0.0009682000000000, -0.0008345900000000, -0.0000134900000000 ] - [ -0.0001199700000000, -0.0002315500000000, 0.0002469000000000 ] - [ -0.0032178200000000, 0.0065288500000000, -0.0006284800000000 ] - [ 0.0014830100000000, 0.0004132600000000, 0.0002255700000000 ] - [ -0.0003236000000000, -0.0005159000000000, -0.0004826600000000 ] - [ -0.0002305000000000, -0.0000999600000000, -0.0001874000000000 ] - [ -0.0041600200000000, -0.0062089200000000, -0.0000242600000000 ] - [ -0.0030920600000000, -0.0044159100000000, -0.0059332300000000 ] - [ 0.0002628400000000, -0.0000324400000000, 0.0001023600000000 ] - [ 0.2003478200000000, 0.0827418400000000, 0.0050356000000000 ] - [ 0.0045891000000000, 0.0019622500000000, 0.0037403500000000 ] - [ -0.0017271600000000, -0.0005345800000000, 0.0018543700000000 ] - [ -0.0001746900000000, -0.0001394700000000, 0.0001712900000000 ] - [ 0.0000657500000000, 0.0006274700000000, -0.0002075800000000 ] - [ -0.0084461400000000, -0.0005081200000000, 0.0001015000000000 ] - [ -0.0019614700000000, 0.0033747800000000, -0.0004514600000000 ] - [ 0.0004036100000000, -0.0000000400000000, -0.0004229600000000 ] - [ 0.0003364000000000, -0.0000390000000000, -0.0001864100000000 ] - [ 0.0002564200000000, 0.0004777200000000, -0.0002376000000000 ] - [ -0.0004875500000000, -0.0000626200000000, -0.0001224100000000 ] - [ -0.0002070500000000, -0.0004876700000000, -0.0000154100000000 ] - [ -0.0004171000000000, -0.0000200600000000, -0.0001428100000000 ] - [ -0.0000604500000000, 0.0000245100000000, -0.0003492500000000 ] - [ -0.0004505700000000, 0.0002138100000000, 0.0001762600000000 ] - [ -0.0000951400000000, 0.0005797600000000, 0.0002366000000000 ] - [ 0.0001572500000000, 0.0000392100000000, -0.0000772400000000 ] - [ -0.0004443400000000, -0.0000846400000000, 0.0002319100000000 ] - [ -0.0004644300000000, -0.0003383100000000, 0.0001283100000000 ] - [ -0.0003646000000000, -0.0003259700000000, 0.0002605200000000 ] - [ -0.0011712700000000, -0.0000562100000000, -0.0001912200000000 ] - [ -0.0011096000000000, 0.0001751400000000, 0.0003794700000000 ] - [ 0.0001149400000000, -0.0000543900000000, -0.0003375700000000 ] - [ 0.0048658500000000, -0.0020688800000000, 0.0014088800000000 ] - [ -0.0085561700000000, 0.0007813200000000, 0.0015319800000000 ] - [ 0.0000016000000000, -0.0000081100000000, 0.0000767200000000 ] - [ 0.0000394000000000, 0.0002005200000000, 0.0001996100000000 ] - [ 0.0000938600000000, -0.0003287700000000, -0.0001718900000000 ] - [ 0.0004915200000000, 0.0000269600000000, 0.0002366900000000 ] - [ -0.0001859600000000, -0.0001742200000000, -0.0001958200000000 ] - [ 0.0001653800000000, -0.0000644900000000, -0.0001690100000000 ] - [ -0.0016919800000000, 0.0025271600000000, 0.0048303300000000 ] - [ -0.0000960900000000, 0.0006607600000000, -0.0006520600000000 ] - [ 0.0014471000000000, 0.0017246700000000, -0.0000875700000000 ] - [ -0.0010439800000000, -0.0023872400000000, 0.0038709900000000 ] - [ -0.0020773200000000, 0.0002679900000000, 0.0017606500000000 ] - [ -0.0001708700000000, -0.0013182400000000, -0.0032489600000000 ] - [ 0.0014987600000000, 0.0010130900000000, -0.0009239300000000 ] - [ 0.1995267300000000, -0.0763650600000000, 0.0060502300000000 ] - [ 0.0000788700000000, -0.0000927300000000, 0.0000622400000000 ] - [ 0.0004635900000000, -0.0002352700000000, -0.0000682000000000 ] - [ -0.0002436400000000, 0.0003702900000000, 0.0001020800000000 ] - [ 0.0001699600000000, -0.0000064700000000, -0.0003027200000000 ] - [ -0.0001756200000000, 0.0000892700000000, -0.0001907100000000 ] - [ -0.0010612800000000, -0.0004583300000000, -0.0009331200000000 ] - [ 0.0001792000000000, -0.0004192000000000, -0.0000373400000000 ] - [ -0.0051690300000000, -0.0018634700000000, -0.0017283600000000 ]- atom: 50 displacement: [ -0.0099999639143206, 0.0000000000000000, 0.0000268647033593 ] forces: - [ -0.0013814000000000, -0.0001595800000000, 0.0001125200000000 ] - [ -0.0002355900000000, 0.0006215800000000, -0.0005652200000000 ] - [ 0.0003428300000000, 0.0000222100000000, -0.0000939300000000 ] - [ 0.0000555100000000, 0.0000368400000000, 0.0003548000000000 ] - [ -0.0000772300000000, -0.0000190900000000, 0.0002113800000000 ] - [ -0.0003172300000000, -0.0000389400000000, -0.0000908200000000 ] - [ -0.0003419900000000, -0.0003289900000000, -0.0006136100000000 ] - [ 0.0004247000000000, 0.0001487400000000, 0.0001574800000000 ] - [ 0.0000507200000000, -0.0003845000000000, 0.0001386200000000 ] - [ 0.0002525500000000, 0.0000456200000000, 0.0001038800000000 ] - [ 0.0013875900000000, 0.0006220000000000, -0.0000221200000000 ] - [ -0.0013761000000000, -0.0003337100000000, 0.0001102600000000 ] - [ 0.0013424000000000, -0.0003662400000000, -0.0004751700000000 ] - [ 0.0012923400000000, -0.0000905200000000, 0.0000233500000000 ] - [ -0.0000025900000000, -0.0002621000000000, 0.0003169800000000 ] - [ 0.0007990400000000, 0.0001234000000000, -0.0005903400000000 ] - [ -0.0002923800000000, -0.0001996200000000, 0.0000073500000000 ] - [ -0.0004015200000000, -0.0001419400000000, -0.0001319400000000 ] - [ -0.0046951100000000, -0.0017539700000000, 0.0038219000000000 ] - [ 0.0000138000000000, 0.0005360700000000, -0.0001262900000000 ] - [ -0.0046288700000000, 0.0018615900000000, 0.0045658300000000 ] - [ 0.0002257800000000, 0.0004875300000000, -0.0001672100000000 ] - [ -0.0003290400000000, 0.0000825000000000, 0.0001315300000000 ] - [ 0.0000814300000000, -0.0001406900000000, -0.0000601400000000 ] - [ -0.0115670900000000, -0.0279854200000000, 0.0009426900000000 ] - [ -0.0166087500000000, 0.0297431400000000, 0.0008079600000000 ] - [ -0.0002019700000000, -0.0006024600000000, 0.0002125800000000 ] - [ 0.0000413900000000, -0.0007331600000000, -0.0003085900000000 ] - [ 0.0000140900000000, 0.0001920900000000, -0.0009168400000000 ] - [ 0.0010852900000000, 0.0005253500000000, -0.0001887100000000 ] - [ 0.0261573000000000, 0.0053219500000000, 0.0006537900000000 ] - [ -0.0054531600000000, 0.0003118600000000, 0.0011397100000000 ] - [ -0.0030323000000000, 0.0008462100000000, -0.0002468500000000 ] - [ -0.0001699200000000, 0.0001424100000000, -0.0010405000000000 ] - [ -0.0004412700000000, -0.0001712700000000, -0.0029378800000000 ] - [ -0.0001259200000000, -0.0001466400000000, 0.0014017000000000 ] - [ 0.0000943800000000, 0.0001604100000000, -0.0001157600000000 ] - [ -0.0209658000000000, -0.0063360000000000, -0.0164891000000000 ] - [ 0.0002113600000000, 0.0006913100000000, 0.0000154700000000 ] - [ -0.0191732700000000, 0.0059653700000000, -0.0149581900000000 ] - [ -0.0018613400000000, 0.0002936800000000, 0.0002326600000000 ] - [ 0.0002681900000000, 0.0001982800000000, 0.0004654100000000 ] - [ -0.0000217500000000, -0.0001460500000000, -0.0002573400000000 ] - [ -0.0024414600000000, -0.0001555900000000, -0.0012176300000000 ] - [ -0.0002840200000000, 0.0001935500000000, -0.0000846800000000 ] - [ 0.0000839000000000, 0.0005798600000000, -0.0003719500000000 ] - [ 0.0000505600000000, 0.0003115800000000, 0.0001056800000000 ] - [ -0.0000664800000000, -0.0000909700000000, 0.0004956800000000 ] - [ -0.0002563800000000, -0.0001268900000000, 0.0000000500000000 ] - [ 0.4907045900000000, -0.0180134600000000, 0.0155846700000000 ] - [ 0.0005023800000000, 0.0000902700000000, -0.0002789300000000 ] - [ 0.0001137900000000, -0.0000017500000000, 0.0004907800000000 ] - [ -0.0001241600000000, 0.0004032600000000, -0.0000255900000000 ] - [ -0.0092939000000000, 0.0002348900000000, 0.0019222300000000 ] - [ 0.0001414700000000, -0.0002348600000000, 0.0000275800000000 ] - [ -0.0022278700000000, -0.0011184900000000, -0.0047513100000000 ] - [ -0.0000222600000000, 0.0003703800000000, -0.0001129300000000 ] - [ 0.0002095800000000, -0.0001441900000000, -0.0006894400000000 ] - [ 0.0001689900000000, 0.0003126400000000, -0.0000688700000000 ] - [ 0.0004262100000000, 0.0014550600000000, 0.0000569100000000 ] - [ 0.0000464800000000, 0.0000452700000000, -0.0002625400000000 ] - [ 0.0067186700000000, 0.0032600600000000, 0.0003948600000000 ] - [ -0.0001107200000000, 0.0002824500000000, 0.0000598200000000 ] - [ -0.0002132300000000, -0.0003046900000000, 0.0000866600000000 ] - [ -0.0003411700000000, -0.0008865300000000, 0.0044682200000000 ] - [ 0.0000167300000000, 0.0000257900000000, -0.0000543400000000 ] - [ -0.0002181200000000, 0.0002618100000000, -0.0000099200000000 ] - [ 0.0000242100000000, 0.0003541600000000, -0.0002714300000000 ] - [ -0.0025994300000000, 0.0016518800000000, 0.0004808300000000 ] - [ -0.0008435800000000, 0.0003834300000000, -0.0054935300000000 ] - [ -0.0002327000000000, -0.0000733000000000, 0.0005093900000000 ] - [ 0.0017112200000000, -0.0051102300000000, 0.0002821400000000 ] - [ -0.0002261100000000, -0.0004480900000000, 0.0001909300000000 ] - [ 0.0071488300000000, -0.0037760800000000, 0.0017256300000000 ] - [ -0.0001657400000000, 0.0008185700000000, 0.0035413800000000 ] - [ -0.0018282400000000, -0.0020746100000000, -0.0001350700000000 ] - [ 0.0000948800000000, -0.0003107700000000, 0.0001259700000000 ] - [ 0.0011366600000000, 0.0042928600000000, 0.0000250800000000 ] - [ 0.0000560200000000, -0.0001517800000000, 0.0000872400000000 ] - [ 0.0002874900000000, -0.0011183300000000, -0.0001507100000000 ] - [ -0.0024461100000000, 0.0012548800000000, -0.0006607300000000 ] - [ -0.0000570300000000, -0.0001584000000000, 0.0001517800000000 ] - [ 0.0017596200000000, 0.0001161100000000, 0.0033623200000000 ] - [ 0.0003683700000000, 0.0023093300000000, -0.0004801000000000 ] - [ 0.0002472300000000, 0.0007480200000000, 0.0003736300000000 ] - [ -0.0005359400000000, -0.0000428800000000, -0.0018198300000000 ] - [ -0.0037985000000000, 0.0049623900000000, 0.0054445700000000 ] - [ 0.0023610500000000, 0.0004435100000000, 0.0022592600000000 ] - [ -0.0017916300000000, 0.0009402900000000, 0.0005223200000000 ] - [ 0.0002346700000000, -0.0003801000000000, 0.0000363600000000 ] - [ 0.0000813700000000, 0.0001198900000000, 0.0002245300000000 ] - [ 0.0007690900000000, -0.0014218500000000, -0.0001347600000000 ] - [ -0.0010347100000000, 0.0002152900000000, -0.0015006600000000 ] - [ 0.0003620500000000, -0.0001009800000000, 0.0002779600000000 ] - [ 0.0000957700000000, -0.0006617300000000, 0.0001364000000000 ] - [ -0.0002653800000000, -0.0006698800000000, -0.0002061100000000 ] - [ 0.0019421600000000, 0.0027368900000000, 0.0003232000000000 ] - [ 0.0044301300000000, -0.0008029200000000, -0.0010410400000000 ] - [ -0.0002149600000000, 0.0001151200000000, -0.0000253600000000 ] - [ 0.0000635700000000, 0.0002510400000000, -0.0000765800000000 ] - [ -0.0000627500000000, -0.0000322300000000, -0.0003787100000000 ] - [ -0.0003044900000000, -0.0001457800000000, -0.0001647000000000 ] - [ 0.0032442000000000, -0.0037568500000000, 0.0067312800000000 ] - [ -0.0638230600000000, 0.0017534900000000, 0.0008402800000000 ] - [ 0.0002342600000000, -0.0005484900000000, 0.0001573100000000 ] - [ -0.0002837000000000, -0.0000165600000000, 0.0001516600000000 ] - [ -0.0003000800000000, 0.0000218500000000, -0.0001857000000000 ] - [ 0.0001915500000000, 0.0002259900000000, -0.0005076600000000 ] - [ 0.0002019700000000, -0.0001022900000000, -0.0001691300000000 ] - [ -0.0001570200000000, 0.0000983300000000, 0.0004131500000000 ] - [ 0.0012072600000000, 0.0001317800000000, -0.0002807800000000 ] - [ 0.0032410700000000, -0.0024541000000000, 0.0025204200000000 ] - [ -0.0001697300000000, -0.0011722300000000, 0.0029845400000000 ] - [ 0.0002700100000000, -0.0001131600000000, 0.0006791200000000 ] - [ -0.0005239500000000, -0.0002305800000000, 0.0003728800000000 ] - [ -0.0044022700000000, -0.0057088300000000, 0.0061091300000000 ] - [ 0.0003850000000000, 0.0000417700000000, 0.0001475600000000 ] - [ 0.0003369500000000, 0.0001807400000000, 0.0004623900000000 ] - [ -0.0000793900000000, -0.0003881500000000, 0.0000364300000000 ] - [ 0.0002720000000000, -0.0011387000000000, 0.0001967200000000 ] - [ -0.0015109800000000, 0.0016105600000000, -0.0000476900000000 ] - [ -0.0001710400000000, 0.0000115200000000, 0.0000874000000000 ] - [ 0.0028908100000000, -0.0066036600000000, 0.0002919300000000 ] - [ -0.0012662900000000, -0.0000976500000000, -0.0001038600000000 ] - [ -0.0000798500000000, -0.0003583100000000, 0.0004319900000000 ] - [ -0.0000179200000000, -0.0000372500000000, -0.0001056100000000 ] - [ 0.0040912700000000, 0.0061528900000000, -0.0006338400000000 ] - [ 0.0028423300000000, 0.0045723900000000, 0.0056637500000000 ] - [ 0.0006873800000000, 0.0001828800000000, 0.0000235300000000 ] - [ -0.1874670900000000, -0.0743874100000000, -0.0045275900000000 ] - [ -0.0050647000000000, -0.0020419800000000, -0.0039467800000000 ] - [ 0.0014662900000000, 0.0004256000000000, -0.0016495300000000 ] - [ -0.0000262300000000, -0.0001867700000000, -0.0002917800000000 ] - [ 0.0000851600000000, 0.0005602700000000, -0.0001272500000000 ] - [ 0.0075111100000000, 0.0006636300000000, -0.0002188300000000 ] - [ 0.0022192800000000, -0.0022935000000000, 0.0000989500000000 ] - [ 0.0005475500000000, -0.0001511700000000, 0.0005489800000000 ] - [ 0.0000471600000000, -0.0000403300000000, -0.0001985200000000 ] - [ -0.0000314100000000, 0.0006307100000000, -0.0001292400000000 ] - [ -0.0004634500000000, -0.0000901800000000, -0.0000041100000000 ] - [ -0.0000444100000000, -0.0005853500000000, 0.0003658400000000 ] - [ -0.0001278700000000, -0.0000629300000000, -0.0000629500000000 ] - [ -0.0000191100000000, 0.0000511200000000, -0.0003137600000000 ] - [ -0.0001170700000000, -0.0000174800000000, 0.0002852200000000 ] - [ -0.0001301500000000, 0.0005242000000000, 0.0001304200000000 ] - [ 0.0003003900000000, 0.0000446600000000, -0.0001671700000000 ] - [ 0.0002109700000000, -0.0000650600000000, 0.0002029400000000 ] - [ -0.0004735400000000, -0.0002263500000000, -0.0000004600000000 ] - [ -0.0001570500000000, -0.0004600100000000, -0.0003213900000000 ] - [ 0.0014171400000000, -0.0000798000000000, 0.0004831100000000 ] - [ 0.0013403500000000, -0.0003251900000000, -0.0008125500000000 ] - [ 0.0001175400000000, 0.0002026200000000, -0.0000962300000000 ] - [ -0.0043808600000000, 0.0015576800000000, -0.0022356300000000 ] - [ 0.0089501600000000, 0.0000917300000000, -0.0014826000000000 ] - [ -0.0004631600000000, -0.0000804300000000, 0.0001680600000000 ] - [ -0.0003308300000000, 0.0000172700000000, 0.0001340900000000 ] - [ 0.0001998500000000, -0.0004240200000000, 0.0004149400000000 ] - [ -0.0000222900000000, -0.0001020400000000, -0.0000469000000000 ] - [ 0.0005144700000000, -0.0003742600000000, -0.0003941700000000 ] - [ 0.0001253900000000, -0.0001592900000000, -0.0001651500000000 ] - [ 0.0018377300000000, -0.0025267200000000, -0.0056769200000000 ] - [ -0.0000544200000000, 0.0005315700000000, 0.0009870100000000 ] - [ -0.0016213500000000, -0.0014117200000000, -0.0000319800000000 ] - [ 0.0014115300000000, 0.0024800400000000, -0.0042534100000000 ] - [ 0.0016156400000000, -0.0001768500000000, -0.0015177100000000 ] - [ -0.0000627700000000, 0.0014736300000000, 0.0036899300000000 ] - [ -0.0016330900000000, -0.0009973000000000, 0.0017875900000000 ] - [ -0.2119356600000000, 0.0846605500000000, -0.0071460100000000 ] - [ 0.0001231500000000, -0.0002366600000000, 0.0000583900000000 ] - [ 0.0004748600000000, -0.0003333100000000, -0.0000595000000000 ] - [ -0.0006937900000000, 0.0001925800000000, 0.0000257500000000 ] - [ 0.0003973500000000, -0.0001923300000000, -0.0001593400000000 ] - [ -0.0001407200000000, 0.0000093400000000, -0.0001424400000000 ] - [ 0.0004835400000000, 0.0004303100000000, 0.0003427300000000 ] - [ 0.0002255800000000, -0.0004577800000000, 0.0000884600000000 ] - [ 0.0057382700000000, 0.0020589000000000, 0.0012624400000000 ]- atom: 50 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002883200000000, -0.0010369300000000, -0.0001376000000000 ] - [ -0.0003478000000000, 0.0006479800000000, -0.0006150600000000 ] - [ 0.0002686200000000, 0.0006431700000000, 0.0000247500000000 ] - [ -0.0003622000000000, -0.0000111200000000, 0.0007282000000000 ] - [ -0.0003981400000000, 0.0002760900000000, 0.0004311800000000 ] - [ -0.0001384200000000, 0.0006552700000000, -0.0002507700000000 ] - [ 0.0002154200000000, 0.0004464000000000, 0.0004419000000000 ] - [ 0.0005686800000000, 0.0009957200000000, -0.0000981500000000 ] - [ 0.0004675200000000, 0.0003281800000000, -0.0007068000000000 ] - [ 0.0000787900000000, 0.0011666900000000, 0.0003776900000000 ] - [ -0.0004478000000000, 0.0028232000000000, -0.0048223400000000 ] - [ -0.0002584100000000, -0.0010560100000000, 0.0003570000000000 ] - [ 0.0005782900000000, -0.0017829800000000, -0.0000434600000000 ] - [ 0.0003081000000000, 0.0024918300000000, 0.0046888100000000 ] - [ 0.0002876700000000, 0.0005313500000000, -0.0004373300000000 ] - [ -0.0005026600000000, -0.0016835200000000, 0.0003783900000000 ] - [ -0.0001367400000000, 0.0005689400000000, 0.0001674000000000 ] - [ -0.0004054300000000, 0.0004905600000000, -0.0001996700000000 ] - [ 0.0019213200000000, -0.0004610700000000, -0.0023343800000000 ] - [ -0.0001727600000000, 0.0004610300000000, -0.0003978100000000 ] - [ -0.0024202700000000, -0.0009687400000000, 0.0023965300000000 ] - [ -0.0000799200000000, 0.0013663400000000, -0.0004861100000000 ] - [ -0.0004700400000000, 0.0008308000000000, 0.0002948300000000 ] - [ 0.0002834500000000, 0.0003444700000000, 0.0004786100000000 ] - [ 0.0380882300000000, -0.0010546500000000, 0.0010468800000000 ] - [ -0.0390110900000000, -0.0051409600000000, -0.0002137100000000 ] - [ 0.0000440700000000, 0.0023508200000000, 0.0009196800000000 ] - [ -0.0000881800000000, 0.0031670000000000, -0.0005167600000000 ] - [ 0.0000837900000000, 0.0001025600000000, -0.0013178200000000 ] - [ 0.0000686600000000, 0.0056853900000000, -0.0005301900000000 ] - [ -0.0034013400000000, 0.0353169200000000, -0.0032027800000000 ] - [ -0.0001915200000000, 0.0007064200000000, -0.0001890700000000 ] - [ 0.0002673900000000, -0.0024300400000000, 0.0009222700000000 ] - [ -0.0002718400000000, 0.0000280600000000, 0.0007443300000000 ] - [ -0.0001074500000000, -0.0016910600000000, -0.0001104400000000 ] - [ -0.0000015500000000, -0.0018454500000000, -0.0003915100000000 ] - [ 0.0000455000000000, 0.0018083500000000, -0.0001888100000000 ] - [ 0.0110523300000000, -0.0030485200000000, 0.0087522100000000 ] - [ -0.0001481500000000, 0.0033244800000000, -0.0000492700000000 ] - [ -0.0095459900000000, -0.0021903900000000, -0.0087390200000000 ] - [ -0.0000553100000000, 0.0024903200000000, -0.0003322700000000 ] - [ 0.0003449900000000, 0.0006943900000000, 0.0010570800000000 ] - [ 0.0000585900000000, 0.0012388400000000, -0.0000346900000000 ] - [ -0.0008493700000000, -0.0029105900000000, -0.0002861500000000 ] - [ -0.0005889300000000, 0.0027790200000000, -0.0004605600000000 ] - [ 0.0002848000000000, 0.0021903700000000, -0.0001190800000000 ] - [ 0.0000332200000000, 0.0007837800000000, -0.0004883400000000 ] - [ -0.0001176800000000, 0.0013659100000000, 0.0004559600000000 ] - [ 0.0002235000000000, -0.0011346000000000, 0.0000976800000000 ] - [ 0.0096328100000000, -0.4760908500000000, 0.0036933000000000 ] - [ 0.0012483600000000, 0.0007437900000000, 0.0006490800000000 ] - [ -0.0004027400000000, 0.0005232100000000, 0.0007584200000000 ] - [ 0.0002288300000000, 0.0020787500000000, 0.0004960600000000 ] - [ -0.0001272500000000, -0.0011958900000000, 0.0008195200000000 ] - [ 0.0003302200000000, 0.0008287100000000, 0.0001139300000000 ] - [ 0.0025343700000000, -0.0008703000000000, 0.0017950400000000 ] - [ -0.0000475700000000, 0.0013629500000000, -0.0001353300000000 ] - [ 0.0002342200000000, -0.0016843700000000, 0.0002100800000000 ] - [ 0.0000763700000000, 0.0023657700000000, -0.0000741700000000 ] - [ -0.0033553600000000, 0.0020745400000000, 0.0004231000000000 ] - [ -0.0010861100000000, 0.0007537000000000, -0.0012466600000000 ] - [ 0.0006865300000000, 0.0011676100000000, -0.0038755000000000 ] - [ -0.0002186400000000, -0.0004438300000000, 0.0000247100000000 ] - [ -0.0002036400000000, 0.0005898500000000, 0.0003821800000000 ] - [ -0.0015615400000000, -0.0021429800000000, 0.0037250200000000 ] - [ -0.0001696800000000, 0.0009122500000000, 0.0007173000000000 ] - [ -0.0006579000000000, 0.0012563900000000, 0.0001152200000000 ] - [ 0.0004396400000000, 0.0012379300000000, -0.0010947900000000 ] - [ -0.0006097400000000, 0.0004237300000000, -0.0003346900000000 ] - [ -0.0014667200000000, -0.0017100100000000, -0.0029352800000000 ] - [ 0.0004143700000000, 0.0006779000000000, -0.0001476600000000 ] - [ 0.0013904300000000, 0.0018686900000000, -0.0001630600000000 ] - [ 0.0004262600000000, 0.0004575300000000, -0.0000935500000000 ] - [ 0.0006487400000000, 0.0011529100000000, 0.0050686600000000 ] - [ 0.0023675000000000, -0.0033830400000000, -0.0046130800000000 ] - [ -0.0001992200000000, 0.0002140100000000, 0.0011673700000000 ] - [ 0.0000753300000000, -0.0016159300000000, -0.0000797600000000 ] - [ -0.0014779600000000, 0.0015985700000000, 0.0000358000000000 ] - [ 0.0000814200000000, 0.0007518700000000, 0.0000836500000000 ] - [ 0.0028284200000000, 0.0025977700000000, -0.0000279100000000 ] - [ -0.0014438700000000, -0.0020797000000000, -0.0002911400000000 ] - [ 0.0000743300000000, -0.0008684200000000, -0.0000678100000000 ] - [ 0.0006716100000000, 0.0033122900000000, 0.0005742400000000 ] - [ -0.0008451400000000, -0.0014287000000000, 0.0000987600000000 ] - [ -0.0010899200000000, -0.0030663400000000, -0.0000946300000000 ] - [ -0.0000618200000000, 0.0011341200000000, 0.0021242700000000 ] - [ -0.0008694500000000, -0.0008643000000000, -0.0034142600000000 ] - [ -0.0020111400000000, 0.0029020700000000, -0.0003695100000000 ] - [ 0.0000813100000000, -0.0008006300000000, -0.0033156900000000 ] - [ 0.0001811000000000, -0.0010963900000000, 0.0000577400000000 ] - [ -0.0001351500000000, -0.0011449300000000, 0.0000224400000000 ] - [ 0.0008750500000000, -0.0013645700000000, -0.0000413800000000 ] - [ 0.0001200500000000, 0.0010567700000000, -0.0014567500000000 ] - [ 0.0003790100000000, -0.0006188300000000, -0.0001799700000000 ] - [ -0.0000221600000000, -0.0026404000000000, 0.0001401000000000 ] - [ 0.0000388100000000, -0.0025031200000000, -0.0001839500000000 ] - [ -0.0025074200000000, -0.0021678400000000, -0.0001722400000000 ] - [ 0.0005328900000000, 0.0015602200000000, -0.0008916500000000 ] - [ -0.0004095700000000, -0.0008660000000000, 0.0006953200000000 ] - [ 0.0002629500000000, -0.0008671400000000, -0.0000230900000000 ] - [ 0.0001752900000000, -0.0004850300000000, 0.0006877100000000 ] - [ -0.0000536100000000, -0.0012459900000000, -0.0000493600000000 ] - [ 0.0040628500000000, 0.0052884000000000, 0.0043197100000000 ] - [ -0.0009361700000000, 0.2271610500000000, -0.0007351000000000 ] - [ 0.0001272000000000, -0.0002268100000000, -0.0000940600000000 ] - [ 0.0006067100000000, -0.0011015100000000, 0.0004512900000000 ] - [ -0.0003748100000000, -0.0005742600000000, 0.0000535600000000 ] - [ 0.0004088900000000, -0.0003913500000000, -0.0006029400000000 ] - [ 0.0006577400000000, -0.0008695200000000, -0.0002938600000000 ] - [ 0.0000704600000000, -0.0006429800000000, 0.0001880600000000 ] - [ 0.0001865800000000, -0.0006044300000000, -0.0003308000000000 ] - [ 0.0018049200000000, -0.0004643600000000, 0.0017765900000000 ] - [ 0.0011153600000000, 0.0012237100000000, 0.0005391000000000 ] - [ -0.0000496600000000, 0.0012460400000000, 0.0000957100000000 ] - [ -0.0001010400000000, -0.0016511700000000, 0.0014345800000000 ] - [ 0.0010619800000000, -0.0015922700000000, 0.0042621700000000 ] - [ 0.0000089700000000, -0.0009746400000000, 0.0001690300000000 ] - [ 0.0003688600000000, 0.0011200900000000, 0.0003330400000000 ] - [ -0.0001811400000000, -0.0011957300000000, -0.0002045700000000 ] - [ 0.0014810600000000, -0.0032475000000000, 0.0002576900000000 ] - [ -0.0030640700000000, -0.0037853200000000, -0.0004663800000000 ] - [ -0.0001889900000000, 0.0012023400000000, -0.0000235200000000 ] - [ 0.0014669000000000, -0.0015053700000000, 0.0001343200000000 ] - [ 0.0021735600000000, -0.0035024100000000, 0.0002859700000000 ] - [ 0.0000629700000000, 0.0003963900000000, 0.0000441400000000 ] - [ -0.0001830800000000, -0.0007135700000000, 0.0003145300000000 ] - [ -0.0009986200000000, -0.0014075800000000, -0.0003993800000000 ] - [ -0.0040221700000000, 0.0056586400000000, -0.0040180700000000 ] - [ -0.0001170800000000, -0.0013450800000000, -0.0001730300000000 ] - [ 0.0804880500000000, 0.1080562400000000, 0.0019420900000000 ] - [ -0.0004000400000000, -0.0030382100000000, -0.0043667000000000 ] - [ 0.0016685200000000, 0.0023491600000000, -0.0011834400000000 ] - [ 0.0000989200000000, 0.0001642300000000, -0.0000746000000000 ] - [ 0.0000805000000000, -0.0005036600000000, -0.0002022000000000 ] - [ -0.0014813000000000, 0.0061053900000000, -0.0000708900000000 ] - [ 0.0023658200000000, -0.0013241400000000, -0.0000131200000000 ] - [ 0.0001114500000000, 0.0007966400000000, -0.0001915000000000 ] - [ 0.0001092300000000, -0.0006297500000000, -0.0012517900000000 ] - [ 0.0000799800000000, 0.0014759700000000, -0.0002016800000000 ] - [ -0.0007440700000000, -0.0007036100000000, -0.0001976900000000 ] - [ -0.0001490500000000, -0.0013185300000000, 0.0002514200000000 ] - [ -0.0003928600000000, -0.0009125100000000, 0.0002002300000000 ] - [ -0.0001088700000000, -0.0010241300000000, -0.0005161300000000 ] - [ -0.0001601100000000, -0.0008726500000000, -0.0001257600000000 ] - [ -0.0001193500000000, -0.0001395500000000, 0.0001856500000000 ] - [ -0.0003394100000000, -0.0008912400000000, 0.0001129600000000 ] - [ -0.0002578700000000, -0.0007273800000000, 0.0012127900000000 ] - [ -0.0005395200000000, 0.0008952800000000, 0.0001542800000000 ] - [ -0.0005232900000000, -0.0000971200000000, -0.0000274800000000 ] - [ 0.0003778100000000, 0.0004313800000000, 0.0009770300000000 ] - [ 0.0000220400000000, -0.0003142600000000, 0.0004101100000000 ] - [ -0.0001162100000000, -0.0007797500000000, -0.0000370800000000 ] - [ -0.0001583600000000, -0.0022259900000000, 0.0028748300000000 ] - [ 0.0001593100000000, 0.0057613800000000, 0.0003148900000000 ] - [ -0.0010392000000000, -0.0011326100000000, -0.0000501700000000 ] - [ -0.0003080300000000, -0.0017725300000000, 0.0000389600000000 ] - [ 0.0001138200000000, 0.0000006600000000, 0.0000484300000000 ] - [ 0.0001108100000000, -0.0013107100000000, -0.0010338100000000 ] - [ 0.0003574700000000, -0.0010128900000000, -0.0012481700000000 ] - [ 0.0000678700000000, -0.0009504800000000, -0.0002466100000000 ] - [ 0.0037159900000000, 0.0028606000000000, -0.0060955700000000 ] - [ -0.0000306400000000, 0.0021900500000000, 0.0001215800000000 ] - [ 0.0032439400000000, -0.0048911600000000, 0.0004995800000000 ] - [ -0.0040852600000000, 0.0023368400000000, 0.0062926400000000 ] - [ -0.0024791800000000, 0.0033322000000000, 0.0011988500000000 ] - [ -0.0009970400000000, 0.0007179300000000, -0.0004379000000000 ] - [ -0.0005129700000000, -0.0005057500000000, 0.0041118700000000 ] - [ -0.0841553800000000, 0.1053154700000000, -0.0038901400000000 ] - [ 0.0001301700000000, -0.0009456300000000, 0.0000054400000000 ] - [ 0.0005064700000000, -0.0010690500000000, -0.0000132600000000 ] - [ -0.0004599100000000, -0.0015011800000000, 0.0000909900000000 ] - [ 0.0006007700000000, -0.0011586100000000, -0.0003311600000000 ] - [ -0.0000647900000000, -0.0009860400000000, -0.0000579000000000 ] - [ -0.0002712600000000, 0.0003239800000000, -0.0013450900000000 ] - [ 0.0003910400000000, -0.0010151200000000, 0.0000542400000000 ] - [ -0.0016993600000000, 0.0001276200000000, -0.0015742700000000 ]- atom: 50 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000992200000000, 0.0008265800000000, 0.0003222700000000 ] - [ 0.0002200300000000, -0.0002104700000000, 0.0005594200000000 ] - [ 0.0003477800000000, -0.0006538000000000, -0.0001709400000000 ] - [ 0.0004554000000000, -0.0006537200000000, -0.0004500000000000 ] - [ 0.0003037700000000, -0.0009419100000000, -0.0007107500000000 ] - [ -0.0000519200000000, -0.0008702800000000, 0.0000664600000000 ] - [ -0.0004050000000000, -0.0002352200000000, -0.0006272400000000 ] - [ 0.0002981400000000, -0.0006608700000000, 0.0003156600000000 ] - [ -0.0004100200000000, -0.0004325400000000, 0.0005946800000000 ] - [ -0.0001367500000000, -0.0010632100000000, -0.0002635700000000 ] - [ 0.0005407700000000, -0.0021754500000000, 0.0051262300000000 ] - [ 0.0003863500000000, 0.0006195800000000, -0.0003010700000000 ] - [ 0.0002892900000000, 0.0014494700000000, 0.0002652900000000 ] - [ -0.0002496900000000, -0.0024050400000000, -0.0048257600000000 ] - [ -0.0003446100000000, -0.0006368500000000, 0.0005508000000000 ] - [ -0.0001143600000000, 0.0016758600000000, -0.0002390000000000 ] - [ 0.0000094100000000, -0.0010103400000000, -0.0002237400000000 ] - [ -0.0004617800000000, -0.0008275500000000, -0.0000171700000000 ] - [ -0.0027874300000000, 0.0007935800000000, 0.0021182000000000 ] - [ 0.0003005200000000, -0.0000216600000000, 0.0004550800000000 ] - [ 0.0030356300000000, 0.0009753500000000, -0.0025389100000000 ] - [ -0.0000124300000000, -0.0007028000000000, 0.0002059100000000 ] - [ -0.0001463000000000, -0.0008219800000000, -0.0001496700000000 ] - [ -0.0000937100000000, -0.0001310800000000, -0.0002950200000000 ] - [ -0.0377453000000000, 0.0007009600000000, -0.0001234300000000 ] - [ 0.0392538600000000, 0.0046882900000000, 0.0004966400000000 ] - [ -0.0004164000000000, -0.0033802700000000, -0.0002567100000000 ] - [ -0.0004337600000000, -0.0034896400000000, -0.0004030100000000 ] - [ -0.0001535200000000, 0.0003686500000000, 0.0010265500000000 ] - [ 0.0001171500000000, -0.0053752700000000, -0.0003420700000000 ] - [ 0.0031518200000000, -0.0345196200000000, 0.0040139500000000 ] - [ 0.0003056100000000, -0.0003411200000000, 0.0002775100000000 ] - [ -0.0006417800000000, 0.0034632600000000, -0.0002633500000000 ] - [ -0.0002526700000000, 0.0002895500000000, -0.0016610200000000 ] - [ -0.0000090900000000, 0.0013209500000000, 0.0000220800000000 ] - [ 0.0001872400000000, 0.0015359100000000, -0.0004798100000000 ] - [ 0.0003530800000000, -0.0016267500000000, 0.0001036600000000 ] - [ -0.0106971300000000, 0.0020228400000000, -0.0094388500000000 ] - [ 0.0000754600000000, -0.0037983100000000, -0.0002377800000000 ] - [ 0.0099670300000000, 0.0020021800000000, 0.0086858000000000 ] - [ -0.0000625000000000, -0.0021218600000000, 0.0002454700000000 ] - [ 0.0001782200000000, -0.0003741600000000, -0.0001377600000000 ] - [ 0.0000581500000000, -0.0016161000000000, 0.0001222800000000 ] - [ 0.0004517600000000, 0.0031018800000000, 0.0003757500000000 ] - [ 0.0001913500000000, -0.0029666400000000, 0.0005479700000000 ] - [ 0.0000868200000000, -0.0011676500000000, -0.0005453200000000 ] - [ 0.0000364100000000, -0.0003101700000000, 0.0007781500000000 ] - [ -0.0000688600000000, -0.0016819000000000, 0.0004154800000000 ] - [ -0.0005402900000000, 0.0006614900000000, -0.0001516400000000 ] - [ -0.0099479800000000, 0.4936407300000000, -0.0035651200000000 ] - [ -0.0007982900000000, -0.0006749000000000, -0.0013435700000000 ] - [ 0.0006967200000000, -0.0006569200000000, -0.0002139600000000 ] - [ 0.0001911600000000, -0.0014204100000000, -0.0007363600000000 ] - [ -0.0002953300000000, 0.0018658400000000, -0.0005835600000000 ] - [ -0.0000148100000000, -0.0013073900000000, -0.0000602900000000 ] - [ -0.0022453300000000, 0.0000878400000000, -0.0022610600000000 ] - [ 0.0000802900000000, -0.0007529700000000, -0.0000810700000000 ] - [ 0.0001864100000000, 0.0010245600000000, -0.0004500600000000 ] - [ -0.0001486100000000, -0.0019703300000000, -0.0000941100000000 ] - [ 0.0033254900000000, -0.0026949900000000, -0.0002058900000000 ] - [ 0.0007939400000000, -0.0006214600000000, 0.0007045000000000 ] - [ -0.0004057200000000, -0.0010421100000000, 0.0044164700000000 ] - [ 0.0001859600000000, 0.0010593200000000, 0.0001916600000000 ] - [ -0.0002169700000000, -0.0012524500000000, -0.0001431600000000 ] - [ 0.0012713600000000, 0.0020175800000000, -0.0042821100000000 ] - [ 0.0004228600000000, -0.0011729000000000, -0.0008604800000000 ] - [ 0.0004045900000000, -0.0009977100000000, 0.0000259500000000 ] - [ -0.0001391700000000, -0.0004585600000000, 0.0006409300000000 ] - [ 0.0003132100000000, 0.0003531900000000, 0.0007900200000000 ] - [ 0.0017268000000000, 0.0019757400000000, 0.0028066000000000 ] - [ -0.0008646500000000, -0.0007476100000000, 0.0008415400000000 ] - [ -0.0010631200000000, -0.0014059300000000, 0.0002181300000000 ] - [ -0.0007273800000000, -0.0012392200000000, 0.0005494000000000 ] - [ -0.0010814500000000, -0.0010920700000000, -0.0043656800000000 ] - [ -0.0019210700000000, 0.0033259500000000, 0.0039341100000000 ] - [ -0.0000549900000000, -0.0004824000000000, -0.0010306200000000 ] - [ -0.0001472200000000, 0.0012193400000000, -0.0000889400000000 ] - [ 0.0015002400000000, -0.0022217700000000, -0.0002523000000000 ] - [ -0.0000095100000000, -0.0011503800000000, 0.0000847700000000 ] - [ -0.0031442700000000, -0.0021288800000000, -0.0000269000000000 ] - [ 0.0019046000000000, 0.0028798500000000, 0.0003529100000000 ] - [ -0.0002065400000000, 0.0008500500000000, 0.0008982600000000 ] - [ -0.0012280500000000, -0.0034966000000000, -0.0000987300000000 ] - [ 0.0005709900000000, 0.0022136000000000, -0.0003426800000000 ] - [ 0.0011567600000000, 0.0029490200000000, 0.0007603500000000 ] - [ 0.0005462100000000, -0.0010677700000000, -0.0019153800000000 ] - [ 0.0013421100000000, 0.0007749400000000, 0.0031652500000000 ] - [ 0.0014556400000000, -0.0028267200000000, 0.0001626700000000 ] - [ -0.0004758200000000, 0.0007336900000000, 0.0037262700000000 ] - [ 0.0002918600000000, 0.0002956400000000, 0.0000069000000000 ] - [ 0.0003641100000000, 0.0012849900000000, 0.0002563100000000 ] - [ -0.0011486700000000, 0.0024562900000000, 0.0003896900000000 ] - [ -0.0006021400000000, -0.0005494900000000, 0.0022961000000000 ] - [ 0.0001918100000000, 0.0005916000000000, 0.0007528400000000 ] - [ -0.0001291100000000, 0.0014649400000000, 0.0001987000000000 ] - [ 0.0001796000000000, 0.0013794000000000, -0.0001836400000000 ] - [ 0.0027836800000000, 0.0029659500000000, 0.0004201000000000 ] - [ -0.0003841900000000, -0.0027421700000000, 0.0005576700000000 ] - [ 0.0000184700000000, 0.0009346700000000, -0.0002811800000000 ] - [ -0.0006502300000000, 0.0017345300000000, -0.0000358700000000 ] - [ -0.0000429100000000, 0.0005048500000000, -0.0015215700000000 ] - [ -0.0005177100000000, 0.0012751900000000, -0.0005214400000000 ] - [ -0.0035076500000000, -0.0052870700000000, -0.0037791900000000 ] - [ 0.0010174100000000, -0.2476082700000000, 0.0012284200000000 ] - [ 0.0001486300000000, -0.0008591600000000, -0.0002546300000000 ] - [ -0.0008454900000000, 0.0011941700000000, -0.0002574000000000 ] - [ -0.0001087500000000, 0.0006455400000000, -0.0002680600000000 ] - [ 0.0000725400000000, 0.0009019500000000, -0.0002319400000000 ] - [ -0.0004215800000000, 0.0007800100000000, 0.0000996400000000 ] - [ -0.0004027400000000, 0.0011884200000000, 0.0003983600000000 ] - [ -0.0005194700000000, 0.0000650300000000, 0.0009166100000000 ] - [ -0.0012467800000000, 0.0003852400000000, -0.0015817800000000 ] - [ -0.0007880100000000, -0.0006857700000000, -0.0011248500000000 ] - [ 0.0001177000000000, -0.0011247100000000, 0.0005695900000000 ] - [ -0.0003795300000000, 0.0011428900000000, -0.0005999600000000 ] - [ -0.0008109800000000, 0.0017013100000000, -0.0044581400000000 ] - [ 0.0005586100000000, 0.0010676000000000, 0.0000368100000000 ] - [ -0.0000438700000000, -0.0009852600000000, -0.0000009600000000 ] - [ -0.0000894300000000, 0.0004199400000000, -0.0000397300000000 ] - [ -0.0011538100000000, 0.0031110900000000, 0.0000731800000000 ] - [ 0.0025852300000000, 0.0045900000000000, 0.0003995500000000 ] - [ -0.0000876200000000, -0.0014440100000000, 0.0003562900000000 ] - [ -0.0017846300000000, 0.0013889600000000, -0.0004661000000000 ] - [ -0.0019411500000000, 0.0038286800000000, -0.0001665800000000 ] - [ -0.0004494400000000, -0.0012625200000000, -0.0001028700000000 ] - [ -0.0000489900000000, 0.0005765100000000, -0.0005979700000000 ] - [ 0.0009286100000000, 0.0013095300000000, -0.0002650200000000 ] - [ 0.0038112400000000, -0.0055463600000000, 0.0037701200000000 ] - [ 0.0010601000000000, 0.0014898000000000, 0.0002967500000000 ] - [ -0.0758699000000000, -0.1064653200000000, -0.0019236700000000 ] - [ -0.0000820600000000, 0.0029632400000000, 0.0041278400000000 ] - [ -0.0019086500000000, -0.0024454900000000, 0.0013804500000000 ] - [ -0.0003158100000000, -0.0004967700000000, -0.0000432400000000 ] - [ 0.0000714400000000, 0.0016816200000000, -0.0001378000000000 ] - [ 0.0005495400000000, -0.0059899200000000, -0.0000525300000000 ] - [ -0.0020923700000000, 0.0024242600000000, -0.0003388600000000 ] - [ 0.0008312700000000, -0.0009400000000000, 0.0003147500000000 ] - [ 0.0002825900000000, 0.0005643500000000, 0.0008376000000000 ] - [ 0.0001390400000000, -0.0003482000000000, -0.0001657800000000 ] - [ -0.0001934200000000, 0.0005648000000000, 0.0000747500000000 ] - [ -0.0001288100000000, 0.0002340700000000, 0.0000979500000000 ] - [ -0.0001732300000000, 0.0008238400000000, -0.0004080800000000 ] - [ 0.0000410200000000, 0.0011510600000000, -0.0001475200000000 ] - [ -0.0003930400000000, 0.0010461300000000, 0.0006000100000000 ] - [ -0.0000996900000000, 0.0012642000000000, 0.0001818700000000 ] - [ 0.0008278000000000, 0.0009977900000000, -0.0003650500000000 ] - [ 0.0000248700000000, 0.0005925400000000, -0.0007897700000000 ] - [ -0.0004254700000000, -0.0014844000000000, -0.0000220000000000 ] - [ 0.0000520400000000, -0.0007073400000000, -0.0000372700000000 ] - [ -0.0001518200000000, -0.0005683800000000, -0.0007023900000000 ] - [ 0.0002093100000000, 0.0001854600000000, -0.0008327700000000 ] - [ 0.0003484800000000, 0.0009150500000000, -0.0003876600000000 ] - [ 0.0006396700000000, 0.0017176000000000, -0.0036923800000000 ] - [ 0.0002295500000000, -0.0049192100000000, -0.0002551300000000 ] - [ 0.0005514100000000, 0.0010276800000000, 0.0003035100000000 ] - [ 0.0000305100000000, 0.0020134000000000, 0.0002934400000000 ] - [ 0.0001547500000000, -0.0007817100000000, 0.0001958300000000 ] - [ 0.0003765700000000, 0.0012429300000000, 0.0012531700000000 ] - [ -0.0000256300000000, 0.0004711500000000, 0.0006660300000000 ] - [ 0.0002094100000000, 0.0007122800000000, -0.0000856100000000 ] - [ -0.0035941500000000, -0.0028957400000000, 0.0052845800000000 ] - [ -0.0001203900000000, -0.0010155200000000, 0.0002172300000000 ] - [ -0.0034530100000000, 0.0052210700000000, -0.0006119300000000 ] - [ 0.0044920400000000, -0.0022841600000000, -0.0067366800000000 ] - [ 0.0019983400000000, -0.0032384600000000, -0.0009506300000000 ] - [ 0.0007670600000000, -0.0005832900000000, 0.0008656800000000 ] - [ 0.0003830300000000, 0.0005265000000000, -0.0032800800000000 ] - [ 0.0808904800000000, -0.1042743100000000, 0.0033713900000000 ] - [ 0.0000892100000000, 0.0006154300000000, 0.0001122500000000 ] - [ 0.0004575000000000, 0.0004830700000000, -0.0001186900000000 ] - [ -0.0005040100000000, 0.0020896900000000, 0.0000410200000000 ] - [ -0.0000482700000000, 0.0009881900000000, -0.0001410300000000 ] - [ -0.0002607700000000, 0.0011274300000000, -0.0002745300000000 ] - [ -0.0003004000000000, -0.0003492900000000, 0.0007783200000000 ] - [ -0.0000042500000000, 0.0001498100000000, 0.0000051500000000 ] - [ 0.0022679300000000, 0.0000520100000000, 0.0011080200000000 ]- atom: 50 displacement: [ -0.0035230240541542, 0.0000000000000000, 0.0093588621911988 ] forces: - [ -0.0003520800000000, -0.0001561500000000, 0.0000182600000000 ] - [ -0.0000086600000000, 0.0002727900000000, -0.0001012700000000 ] - [ 0.0003185700000000, 0.0000024700000000, -0.0000686100000000 ] - [ 0.0000317700000000, -0.0001078600000000, 0.0002431100000000 ] - [ -0.0001664500000000, -0.0001959800000000, 0.0000137000000000 ] - [ -0.0001638300000000, -0.0000894000000000, -0.0000980700000000 ] - [ -0.0000578600000000, 0.0000249200000000, -0.0001811200000000 ] - [ 0.0004274800000000, 0.0001489500000000, 0.0001108200000000 ] - [ 0.0000113100000000, -0.0002720000000000, 0.0000586600000000 ] - [ 0.0000710400000000, 0.0001652800000000, 0.0000558800000000 ] - [ 0.0004684700000000, -0.0007900400000000, 0.0002739300000000 ] - [ -0.0003407900000000, -0.0001806100000000, -0.0000340300000000 ] - [ 0.0008401900000000, -0.0002828500000000, 0.0008882800000000 ] - [ 0.0003695800000000, 0.0011667400000000, 0.0000601700000000 ] - [ -0.0001050200000000, -0.0001554100000000, 0.0001791700000000 ] - [ 0.0001531300000000, 0.0000891700000000, 0.0008820100000000 ] - [ -0.0001350800000000, -0.0002181700000000, -0.0000258900000000 ] - [ -0.0004224300000000, -0.0001569800000000, -0.0001031600000000 ] - [ -0.0029723800000000, -0.0010473800000000, 0.0013901400000000 ] - [ 0.0000620300000000, 0.0002513500000000, 0.0000205500000000 ] - [ -0.0032347900000000, 0.0015961100000000, 0.0022053000000000 ] - [ 0.0000412300000000, 0.0002781300000000, -0.0001589500000000 ] - [ -0.0003143600000000, 0.0000364500000000, 0.0000765600000000 ] - [ 0.0000966800000000, 0.0001089200000000, 0.0000843100000000 ] - [ -0.0038207300000000, -0.0091854200000000, -0.0040427100000000 ] - [ -0.0058022600000000, 0.0102766700000000, -0.0044084200000000 ] - [ -0.0001855500000000, -0.0005332600000000, 0.0002489900000000 ] - [ -0.0001629800000000, -0.0003375800000000, -0.0004937200000000 ] - [ -0.0000816400000000, 0.0001631800000000, -0.0000360400000000 ] - [ 0.0004118300000000, 0.0002410600000000, -0.0004400800000000 ] - [ 0.0087243600000000, -0.0000278000000000, -0.0036944700000000 ] - [ -0.0016383700000000, 0.0002082900000000, 0.0004141700000000 ] - [ -0.0010463700000000, 0.0008863100000000, 0.0003863700000000 ] - [ -0.0002808500000000, 0.0001870500000000, -0.0002694400000000 ] - [ 0.0000087900000000, -0.0001507800000000, -0.0002144800000000 ] - [ -0.0002365000000000, -0.0001496500000000, 0.0010011000000000 ] - [ 0.0001663600000000, 0.0000928200000000, -0.0000229800000000 ] - [ -0.0041634600000000, -0.0009398500000000, -0.0052383700000000 ] - [ 0.0000406800000000, 0.0000306900000000, -0.0001728700000000 ] - [ -0.0036529200000000, 0.0007222600000000, -0.0052345600000000 ] - [ -0.0005941300000000, 0.0002165100000000, -0.0000907000000000 ] - [ 0.0002490000000000, 0.0001943400000000, 0.0005785200000000 ] - [ 0.0000836100000000, -0.0001717900000000, 0.0000225200000000 ] - [ -0.0008498700000000, -0.0002831300000000, 0.0000005900000000 ] - [ -0.0002131900000000, -0.0000207900000000, -0.0000345900000000 ] - [ 0.0001557100000000, 0.0005550900000000, -0.0003048700000000 ] - [ 0.0000382000000000, 0.0002624200000000, 0.0002469900000000 ] - [ -0.0001206600000000, -0.0001382100000000, 0.0005148800000000 ] - [ -0.0002246700000000, -0.0001579700000000, 0.0000386600000000 ] - [ 0.1578574200000000, -0.0006273800000000, -0.1365115200000000 ] - [ 0.0003135700000000, 0.0000823400000000, -0.0003627900000000 ] - [ 0.0001131700000000, -0.0000329900000000, 0.0003366200000000 ] - [ 0.0001164000000000, 0.0003398700000000, -0.0001025500000000 ] - [ -0.0027259800000000, 0.0002276000000000, 0.0006728000000000 ] - [ 0.0001470800000000, -0.0002008200000000, 0.0000360000000000 ] - [ 0.0004078300000000, -0.0005303900000000, -0.0000169000000000 ] - [ -0.0000028500000000, 0.0002929400000000, -0.0001031700000000 ] - [ 0.0003661200000000, -0.0004148400000000, -0.0001805100000000 ] - [ 0.0000225800000000, 0.0002288200000000, -0.0000846700000000 ] - [ 0.0001342400000000, 0.0001188000000000, 0.0000024100000000 ] - [ -0.0000656200000000, 0.0000314800000000, -0.0002684900000000 ] - [ 0.0015940700000000, 0.0002343300000000, 0.0011252500000000 ] - [ -0.0000544200000000, 0.0002517600000000, 0.0001491100000000 ] - [ -0.0002127800000000, -0.0003115500000000, 0.0001250000000000 ] - [ -0.0006601000000000, -0.0005403600000000, 0.0019641700000000 ] - [ 0.0000793600000000, -0.0000357100000000, -0.0000379500000000 ] - [ -0.0001433900000000, 0.0001483300000000, 0.0000349000000000 ] - [ 0.0001032000000000, 0.0003405400000000, -0.0001995200000000 ] - [ -0.0009641300000000, 0.0008187400000000, 0.0003927600000000 ] - [ 0.0003168200000000, 0.0003054100000000, -0.0002883400000000 ] - [ -0.0002426700000000, -0.0000586800000000, 0.0004046400000000 ] - [ 0.0006814400000000, -0.0014795500000000, 0.0000318100000000 ] - [ -0.0001577900000000, -0.0003878300000000, 0.0002011600000000 ] - [ 0.0017685600000000, -0.0004054500000000, 0.0015168000000000 ] - [ -0.0005170700000000, 0.0005522400000000, 0.0016094500000000 ] - [ -0.0006211600000000, -0.0009730100000000, -0.0000601100000000 ] - [ -0.0001860300000000, -0.0002317100000000, 0.0000089900000000 ] - [ 0.0004074800000000, 0.0011230300000000, -0.0001590800000000 ] - [ 0.0000395000000000, -0.0001825300000000, 0.0000909200000000 ] - [ -0.0000824600000000, -0.0001013400000000, -0.0001188800000000 ] - [ -0.0006771100000000, 0.0006579300000000, -0.0000321800000000 ] - [ -0.0000486700000000, -0.0000730700000000, 0.0003609300000000 ] - [ -0.0000853900000000, -0.0005319100000000, 0.0009717000000000 ] - [ -0.0000109800000000, 0.0009949400000000, -0.0002125800000000 ] - [ 0.0001300200000000, 0.0001941100000000, 0.0003727000000000 ] - [ 0.0002599100000000, 0.0001480400000000, -0.0010894000000000 ] - [ -0.0018128400000000, 0.0007308900000000, 0.0018688700000000 ] - [ -0.0001851100000000, 0.0007929600000000, 0.0002710300000000 ] - [ -0.0005678300000000, 0.0000870500000000, -0.0002288900000000 ] - [ 0.0002561600000000, -0.0004247400000000, -0.0000010500000000 ] - [ 0.0000871300000000, 0.0000730400000000, 0.0001913700000000 ] - [ 0.0001225600000000, -0.0000575700000000, 0.0000926000000000 ] - [ -0.0002043800000000, 0.0000623000000000, -0.0006728800000000 ] - [ 0.0003202400000000, -0.0000618700000000, 0.0002455700000000 ] - [ -0.0000254800000000, -0.0006032600000000, 0.0001796000000000 ] - [ -0.0000017100000000, -0.0005915400000000, -0.0001646200000000 ] - [ 0.0007182100000000, 0.0010397700000000, 0.0003526500000000 ] - [ 0.0013715300000000, -0.0006622000000000, -0.0004608300000000 ] - [ -0.0001877200000000, 0.0000854900000000, 0.0001583700000000 ] - [ -0.0001266200000000, 0.0003810800000000, -0.0000255700000000 ] - [ 0.0000239900000000, 0.0000319300000000, -0.0004464800000000 ] - [ -0.0003037100000000, -0.0000220000000000, -0.0002258000000000 ] - [ -0.0001636000000000, -0.0007648600000000, 0.0023235100000000 ] - [ -0.0239208900000000, -0.0001665600000000, 0.0500602600000000 ] - [ 0.0001438700000000, -0.0005468900000000, -0.0001585200000000 ] - [ -0.0001892000000000, 0.0000495300000000, 0.0001288000000000 ] - [ -0.0002433400000000, 0.0000505100000000, -0.0001565500000000 ] - [ 0.0002517600000000, 0.0002177400000000, -0.0004656300000000 ] - [ 0.0001620100000000, -0.0000655800000000, -0.0001305300000000 ] - [ -0.0001852600000000, 0.0002525600000000, 0.0003071600000000 ] - [ 0.0002834300000000, -0.0000466800000000, 0.0000962500000000 ] - [ 0.0013269100000000, -0.0011670100000000, 0.0011712100000000 ] - [ -0.0000245700000000, 0.0000324500000000, 0.0000695100000000 ] - [ 0.0001108200000000, -0.0000211500000000, 0.0002320300000000 ] - [ -0.0003469000000000, -0.0001981000000000, 0.0004450900000000 ] - [ -0.0022286500000000, -0.0008796600000000, 0.0023273500000000 ] - [ 0.0002995300000000, 0.0000378800000000, 0.0001176900000000 ] - [ 0.0002063800000000, 0.0001370700000000, 0.0000483800000000 ] - [ -0.0001465100000000, -0.0004312700000000, -0.0001240400000000 ] - [ 0.0002181000000000, -0.0003924400000000, 0.0002093100000000 ] - [ -0.0004581500000000, 0.0008841000000000, -0.0000948300000000 ] - [ -0.0000203500000000, -0.0000907900000000, -0.0000775400000000 ] - [ 0.0007818000000000, -0.0021152900000000, -0.0000711600000000 ] - [ -0.0003584800000000, 0.0001269800000000, 0.0001702200000000 ] - [ -0.0002367300000000, -0.0004141900000000, -0.0000351200000000 ] - [ -0.0000708600000000, -0.0000393300000000, -0.0001787900000000 ] - [ 0.0012931900000000, 0.0018951300000000, -0.0005563400000000 ] - [ -0.0008978000000000, 0.0007049100000000, 0.0016847400000000 ] - [ 0.0005341500000000, 0.0001128900000000, 0.0000651000000000 ] - [ -0.0598929400000000, -0.0234743000000000, 0.0480827300000000 ] - [ -0.0014787400000000, -0.0013742500000000, -0.0009889800000000 ] - [ 0.0006605400000000, 0.0003711400000000, -0.0007274500000000 ] - [ -0.0000538700000000, -0.0001731200000000, -0.0002317200000000 ] - [ 0.0000782100000000, 0.0005727600000000, -0.0001737200000000 ] - [ 0.0016475400000000, 0.0002820900000000, 0.0001139100000000 ] - [ 0.0007630100000000, -0.0002633900000000, 0.0000783800000000 ] - [ 0.0003675500000000, -0.0000188000000000, 0.0000702300000000 ] - [ 0.0001497100000000, -0.0000878300000000, -0.0002322100000000 ] - [ 0.0002008600000000, 0.0005911000000000, -0.0002265300000000 ] - [ -0.0004699100000000, -0.0000853700000000, -0.0000742600000000 ] - [ -0.0001436200000000, -0.0005153900000000, 0.0001805500000000 ] - [ -0.0002300400000000, -0.0000197300000000, -0.0000960000000000 ] - [ -0.0000349600000000, 0.0000299500000000, -0.0003428200000000 ] - [ -0.0002162300000000, 0.0000266200000000, 0.0002546300000000 ] - [ -0.0001091800000000, 0.0005490500000000, 0.0001319200000000 ] - [ 0.0002751500000000, 0.0000542200000000, -0.0001469700000000 ] - [ 0.0000006300000000, 0.0000043600000000, 0.0002358300000000 ] - [ -0.0003583600000000, -0.0002538400000000, -0.0001374700000000 ] - [ -0.0001631600000000, -0.0004297500000000, -0.0002449700000000 ] - [ 0.0005863700000000, -0.0000244900000000, 0.0002168400000000 ] - [ 0.0005073400000000, -0.0001732500000000, -0.0004193000000000 ] - [ 0.0000920800000000, 0.0000681100000000, -0.0001964700000000 ] - [ -0.0009229500000000, 0.0006908600000000, -0.0007444400000000 ] - [ 0.0025114100000000, 0.0002696400000000, -0.0003256500000000 ] - [ -0.0003215400000000, -0.0000853800000000, 0.0001598700000000 ] - [ -0.0001925100000000, 0.0000932300000000, 0.0001751900000000 ] - [ 0.0001599900000000, -0.0004204500000000, 0.0001294200000000 ] - [ 0.0001569200000000, -0.0000824000000000, 0.0001296600000000 ] - [ 0.0002836400000000, -0.0003726700000000, -0.0002871300000000 ] - [ 0.0001345000000000, -0.0001324300000000, -0.0001817800000000 ] - [ 0.0012787400000000, -0.0014512800000000, -0.0019596300000000 ] - [ -0.0001689600000000, 0.0006358300000000, 0.0002013600000000 ] - [ -0.0004104400000000, -0.0004354700000000, -0.0002375800000000 ] - [ 0.0012464600000000, 0.0015416500000000, -0.0013631000000000 ] - [ 0.0007285200000000, -0.0003705500000000, -0.0005522600000000 ] - [ -0.0002543200000000, 0.0001843400000000, 0.0004815900000000 ] - [ -0.0004596700000000, -0.0001202400000000, 0.0003512400000000 ] - [ -0.0633528500000000, 0.0235425800000000, 0.0452088600000000 ] - [ 0.0001390100000000, -0.0001524800000000, 0.0000225300000000 ] - [ 0.0004804800000000, -0.0003090400000000, -0.0000800600000000 ] - [ -0.0005394800000000, 0.0002681300000000, 0.0000732000000000 ] - [ 0.0003029000000000, -0.0001089400000000, -0.0002177600000000 ] - [ -0.0001591700000000, 0.0000758900000000, -0.0001723600000000 ] - [ -0.0000238500000000, 0.0001515800000000, -0.0000345500000000 ] - [ 0.0002045900000000, -0.0004456700000000, 0.0000182500000000 ] - [ 0.0025731700000000, 0.0009530500000000, 0.0004138400000000 ]- atom: 50 displacement: [ 0.0035230240541542, 0.0000000000000000, -0.0093588621911988 ] forces: - [ 0.0005383600000000, -0.0000587200000000, 0.0001620900000000 ] - [ -0.0001216400000000, 0.0001685800000000, 0.0000454100000000 ] - [ 0.0002991000000000, -0.0000119400000000, -0.0000759100000000 ] - [ 0.0000602900000000, -0.0005606600000000, 0.0000375200000000 ] - [ 0.0000728200000000, -0.0004665800000000, -0.0002942600000000 ] - [ -0.0000257500000000, -0.0001247900000000, -0.0000859300000000 ] - [ -0.0001304800000000, 0.0001899100000000, -0.0000051600000000 ] - [ 0.0004399700000000, 0.0001871600000000, 0.0001052800000000 ] - [ 0.0000476500000000, 0.0001644500000000, -0.0001735700000000 ] - [ -0.0001295500000000, -0.0000596900000000, 0.0000560800000000 ] - [ -0.0003697100000000, 0.0014380900000000, 0.0000025900000000 ] - [ 0.0004711100000000, -0.0002602500000000, 0.0000947700000000 ] - [ 0.0000224900000000, -0.0000534500000000, -0.0006831000000000 ] - [ -0.0003161700000000, -0.0010805700000000, -0.0001704900000000 ] - [ 0.0000475500000000, 0.0000534600000000, -0.0000648600000000 ] - [ -0.0007666100000000, -0.0000987700000000, -0.0007263300000000 ] - [ 0.0000070100000000, -0.0002217200000000, -0.0000311600000000 ] - [ -0.0004450500000000, -0.0001787000000000, -0.0001150600000000 ] - [ 0.0021324000000000, 0.0013987700000000, -0.0016064500000000 ] - [ 0.0000656700000000, 0.0001869800000000, 0.0000338700000000 ] - [ 0.0038201000000000, -0.0015682800000000, -0.0023522700000000 ] - [ -0.0001338200000000, 0.0003883900000000, -0.0001188500000000 ] - [ -0.0003041000000000, -0.0000262100000000, 0.0000698000000000 ] - [ 0.0000932300000000, 0.0001038100000000, 0.0001021200000000 ] - [ 0.0044223700000000, 0.0088756300000000, 0.0048962900000000 ] - [ 0.0058030800000000, -0.0107552500000000, 0.0047885600000000 ] - [ -0.0001858100000000, -0.0004899600000000, 0.0004183700000000 ] - [ -0.0003606700000000, 0.0000154600000000, -0.0004238600000000 ] - [ 0.0000114100000000, 0.0003136400000000, -0.0002598700000000 ] - [ -0.0002260400000000, 0.0000854300000000, -0.0004325200000000 ] - [ -0.0089112100000000, 0.0002539700000000, 0.0045920000000000 ] - [ 0.0017564000000000, 0.0001627000000000, -0.0003267600000000 ] - [ 0.0006650600000000, 0.0001436500000000, 0.0002721900000000 ] - [ -0.0002427000000000, 0.0001364700000000, -0.0006457400000000 ] - [ -0.0001261200000000, -0.0002254600000000, 0.0001244500000000 ] - [ 0.0004227500000000, -0.0001659400000000, -0.0018734300000000 ] - [ 0.0002314800000000, 0.0000907700000000, -0.0000647000000000 ] - [ 0.0045429500000000, -0.0000819100000000, 0.0045286200000000 ] - [ -0.0001114900000000, -0.0005065500000000, -0.0001165100000000 ] - [ 0.0040403200000000, -0.0009056600000000, 0.0052014800000000 ] - [ 0.0004761500000000, 0.0001602600000000, 0.0000026800000000 ] - [ 0.0002736900000000, 0.0001208900000000, 0.0003423200000000 ] - [ 0.0000336500000000, -0.0001993400000000, 0.0000643800000000 ] - [ 0.0004577700000000, 0.0004707400000000, 0.0000894200000000 ] - [ -0.0001854200000000, -0.0001596400000000, 0.0001170600000000 ] - [ 0.0002165800000000, 0.0004703300000000, -0.0003557300000000 ] - [ 0.0000322600000000, 0.0002060900000000, 0.0000407500000000 ] - [ -0.0000651300000000, -0.0001727800000000, 0.0003556700000000 ] - [ -0.0000942500000000, -0.0003206500000000, -0.0000923300000000 ] - [ -0.1578284800000000, -0.0005197400000000, 0.1366791900000000 ] - [ 0.0001379400000000, -0.0000139300000000, -0.0003249600000000 ] - [ 0.0001800700000000, -0.0001001100000000, 0.0002049400000000 ] - [ 0.0003032200000000, 0.0003227800000000, -0.0001358400000000 ] - [ 0.0023057200000000, 0.0004327400000000, -0.0004318100000000 ] - [ 0.0001689500000000, -0.0002734400000000, 0.0000180700000000 ] - [ -0.0001152300000000, -0.0002470600000000, -0.0004529600000000 ] - [ 0.0000355700000000, 0.0003224900000000, -0.0001135500000000 ] - [ 0.0000534800000000, -0.0002473200000000, -0.0000587900000000 ] - [ -0.0000934400000000, 0.0001684700000000, -0.0000835500000000 ] - [ -0.0001756200000000, -0.0007278900000000, 0.0002161100000000 ] - [ -0.0002283200000000, 0.0001009700000000, -0.0002802400000000 ] - [ -0.0012809900000000, -0.0000867800000000, -0.0005895100000000 ] - [ 0.0000237900000000, 0.0003582200000000, 0.0000671200000000 ] - [ -0.0002074100000000, -0.0003512400000000, 0.0001137200000000 ] - [ 0.0003731700000000, 0.0004139100000000, -0.0025317300000000 ] - [ 0.0001744100000000, -0.0002233500000000, -0.0001004100000000 ] - [ -0.0001104300000000, 0.0001132900000000, 0.0001104500000000 ] - [ 0.0001962400000000, 0.0004408100000000, -0.0002589500000000 ] - [ 0.0006694700000000, -0.0000371000000000, 0.0000672900000000 ] - [ -0.0000608300000000, -0.0000425500000000, 0.0001494700000000 ] - [ -0.0002061900000000, -0.0000101700000000, 0.0002916000000000 ] - [ -0.0003619900000000, 0.0019447700000000, 0.0000235700000000 ] - [ -0.0001428300000000, -0.0003911000000000, 0.0002510100000000 ] - [ -0.0022225300000000, 0.0004810100000000, -0.0008195100000000 ] - [ 0.0009582600000000, -0.0006141800000000, -0.0022859700000000 ] - [ 0.0003642900000000, 0.0007118200000000, 0.0001934800000000 ] - [ 0.0001153500000000, -0.0001620800000000, -0.0001776300000000 ] - [ -0.0003797000000000, -0.0017468000000000, -0.0000575600000000 ] - [ 0.0000311500000000, -0.0002158000000000, 0.0000774300000000 ] - [ -0.0002256200000000, 0.0005813900000000, 0.0000640900000000 ] - [ 0.0011496200000000, 0.0001524300000000, 0.0000994000000000 ] - [ -0.0000818600000000, 0.0000537000000000, 0.0004727800000000 ] - [ -0.0004661000000000, 0.0003557000000000, -0.0004877400000000 ] - [ -0.0002588500000000, -0.0002097500000000, -0.0000318500000000 ] - [ -0.0000660000000000, -0.0003230700000000, 0.0002904200000000 ] - [ 0.0002273700000000, -0.0000735300000000, 0.0012976900000000 ] - [ 0.0022790700000000, -0.0008452100000000, -0.0021142300000000 ] - [ -0.0003742600000000, -0.0007176500000000, -0.0004817400000000 ] - [ 0.0001776400000000, -0.0001582800000000, 0.0006384600000000 ] - [ 0.0002164400000000, -0.0003803700000000, 0.0000660500000000 ] - [ 0.0001407800000000, 0.0000644600000000, 0.0000903800000000 ] - [ -0.0004035300000000, 0.0011526800000000, 0.0002570100000000 ] - [ -0.0002791200000000, 0.0004530500000000, 0.0015153100000000 ] - [ 0.0002484500000000, 0.0000358300000000, 0.0003239000000000 ] - [ -0.0001257900000000, -0.0005796500000000, 0.0001594700000000 ] - [ 0.0002213500000000, -0.0005339700000000, -0.0002034600000000 ] - [ -0.0004603100000000, -0.0002671600000000, -0.0001100700000000 ] - [ -0.0012244500000000, -0.0005143300000000, 0.0001189600000000 ] - [ -0.0002041500000000, -0.0000176700000000, 0.0002520400000000 ] - [ -0.0002613800000000, 0.0004853100000000, -0.0000336900000000 ] - [ 0.0001061200000000, -0.0000111700000000, -0.0003803300000000 ] - [ -0.0002664900000000, 0.0000492400000000, -0.0003492300000000 ] - [ 0.0007235600000000, 0.0007923600000000, -0.0017324100000000 ] - [ 0.0236787800000000, 0.0002738000000000, -0.0497031300000000 ] - [ 0.0001307500000000, -0.0005352300000000, -0.0001889300000000 ] - [ -0.0000497300000000, 0.0000398000000000, 0.0000672500000000 ] - [ -0.0002418600000000, 0.0000202400000000, -0.0000590300000000 ] - [ 0.0002307500000000, 0.0002920400000000, -0.0003682100000000 ] - [ 0.0000748700000000, -0.0000235100000000, -0.0000609000000000 ] - [ -0.0001463000000000, 0.0002861000000000, 0.0002761700000000 ] - [ -0.0006140300000000, -0.0004959800000000, 0.0004946300000000 ] - [ -0.0007687500000000, 0.0010888300000000, -0.0009780600000000 ] - [ 0.0003541900000000, 0.0005053100000000, -0.0006497400000000 ] - [ -0.0000410500000000, 0.0001461700000000, 0.0004333100000000 ] - [ -0.0001343500000000, -0.0003138800000000, 0.0003965900000000 ] - [ 0.0024819100000000, 0.0009435200000000, -0.0025237300000000 ] - [ 0.0002662800000000, 0.0000512200000000, 0.0000904200000000 ] - [ 0.0001166100000000, 0.0000035200000000, 0.0002833300000000 ] - [ -0.0001249200000000, -0.0003491000000000, -0.0001194900000000 ] - [ 0.0001123000000000, 0.0002429100000000, 0.0001220200000000 ] - [ -0.0000258100000000, -0.0000972000000000, 0.0000261000000000 ] - [ -0.0002547200000000, -0.0001516000000000, 0.0004076500000000 ] - [ -0.0011207300000000, 0.0020023100000000, -0.0002632800000000 ] - [ 0.0005785300000000, 0.0002149800000000, -0.0000554400000000 ] - [ -0.0001494500000000, -0.0004522100000000, -0.0000224500000000 ] - [ -0.0001587600000000, -0.0000970400000000, -0.0001015900000000 ] - [ -0.0013465800000000, -0.0019944900000000, -0.0001067900000000 ] - [ 0.0006911300000000, -0.0005587400000000, -0.0019787000000000 ] - [ 0.0004092300000000, 0.0000305500000000, 0.0000577300000000 ] - [ 0.0610097700000000, 0.0242537700000000, -0.0475131300000000 ] - [ 0.0009881200000000, 0.0012920400000000, 0.0007863400000000 ] - [ -0.0009050700000000, -0.0004647700000000, 0.0009253500000000 ] - [ -0.0001657600000000, -0.0001548300000000, 0.0001149100000000 ] - [ 0.0000735300000000, 0.0006055400000000, -0.0001647000000000 ] - [ -0.0026003700000000, -0.0001396800000000, -0.0002342500000000 ] - [ -0.0004735300000000, 0.0013436700000000, -0.0004267100000000 ] - [ 0.0005759000000000, -0.0001260600000000, 0.0000515600000000 ] - [ 0.0002435700000000, 0.0000230400000000, -0.0001878200000000 ] - [ 0.0000182800000000, 0.0005349700000000, -0.0001412000000000 ] - [ -0.0004687700000000, -0.0000541500000000, -0.0000481200000000 ] - [ -0.0001341800000000, -0.0005744800000000, 0.0001685000000000 ] - [ -0.0003334500000000, -0.0000682600000000, -0.0001096500000000 ] - [ -0.0000337800000000, 0.0000917800000000, -0.0003210300000000 ] - [ -0.0003382900000000, 0.0001456900000000, 0.0002172700000000 ] - [ -0.0001104200000000, 0.0005769200000000, 0.0002361600000000 ] - [ 0.0002115700000000, 0.0000513300000000, -0.0001059500000000 ] - [ -0.0002321100000000, -0.0001373900000000, 0.0001933400000000 ] - [ -0.0006072800000000, -0.0003364700000000, 0.0002717300000000 ] - [ -0.0003058400000000, -0.0003706900000000, 0.0001799200000000 ] - [ -0.0003641400000000, -0.0001154600000000, 0.0000582600000000 ] - [ -0.0002787900000000, 0.0000414600000000, -0.0000093100000000 ] - [ 0.0001393500000000, 0.0000614500000000, -0.0002254900000000 ] - [ 0.0014048400000000, -0.0012134100000000, -0.0001014300000000 ] - [ -0.0021112200000000, 0.0005970800000000, 0.0003830700000000 ] - [ -0.0001656100000000, -0.0000210800000000, 0.0000904500000000 ] - [ -0.0000834300000000, 0.0001444600000000, 0.0001559100000000 ] - [ 0.0001102900000000, -0.0003558400000000, 0.0001136400000000 ] - [ 0.0003318600000000, 0.0000112200000000, 0.0000824600000000 ] - [ 0.0000470400000000, -0.0001662000000000, -0.0003002400000000 ] - [ 0.0001419900000000, -0.0001064900000000, -0.0001491800000000 ] - [ -0.0011680600000000, 0.0014553100000000, 0.0011214700000000 ] - [ 0.0000186300000000, 0.0005442700000000, 0.0001376500000000 ] - [ 0.0002074900000000, 0.0007448900000000, 0.0001257100000000 ] - [ -0.0008363000000000, -0.0014548500000000, 0.0009547600000000 ] - [ -0.0012048700000000, 0.0004703000000000, 0.0008003200000000 ] - [ 0.0000231500000000, -0.0000490100000000, -0.0000545300000000 ] - [ 0.0003246600000000, 0.0001358100000000, 0.0004867000000000 ] - [ 0.0635224800000000, -0.0231460700000000, -0.0462829100000000 ] - [ 0.0000805700000000, -0.0001827300000000, 0.0000947300000000 ] - [ 0.0004838300000000, -0.0002783500000000, -0.0000522400000000 ] - [ -0.0004250900000000, 0.0003181100000000, 0.0000587400000000 ] - [ 0.0002496700000000, -0.0000633500000000, -0.0002570000000000 ] - [ -0.0001656400000000, 0.0000615800000000, -0.0001594600000000 ] - [ -0.0005446000000000, -0.0001790700000000, -0.0005322700000000 ] - [ 0.0001823600000000, -0.0004197700000000, 0.0000407500000000 ] - [ -0.0020021600000000, -0.0007756600000000, -0.0008793900000000 ]- atom: 51 displacement: [ 0.0099999639143206, 0.0000000000000000, -0.0000268647033593 ] forces: - [ 0.0003291000000000, -0.0000540500000000, 0.0000680300000000 ] - [ -0.0000019600000000, 0.0008675800000000, 0.0000322800000000 ] - [ -0.0048028700000000, 0.0006961100000000, 0.0024622500000000 ] - [ 0.0069221000000000, 0.0040576700000000, -0.0033824900000000 ] - [ -0.0000542000000000, -0.0001214100000000, -0.0001631100000000 ] - [ 0.0006808700000000, 0.0003808900000000, -0.0002285500000000 ] - [ -0.0000699000000000, 0.0003501600000000, -0.0000012000000000 ] - [ 0.0002438200000000, -0.0002815300000000, -0.0009519700000000 ] - [ -0.0000858800000000, -0.0000381100000000, -0.0002410200000000 ] - [ -0.0001474400000000, 0.0001587500000000, 0.0000051200000000 ] - [ -0.0001814500000000, 0.0006755400000000, 0.0004959600000000 ] - [ 0.0007944000000000, -0.0002485000000000, 0.0000604000000000 ] - [ 0.0001851900000000, 0.0002849600000000, 0.0000345700000000 ] - [ -0.0041541500000000, 0.0013451100000000, -0.0004457800000000 ] - [ -0.0000847200000000, 0.0001906300000000, 0.0000548200000000 ] - [ -0.0002909500000000, 0.0002250700000000, 0.0001134100000000 ] - [ 0.0001432300000000, -0.0000498300000000, -0.0002124200000000 ] - [ -0.0003482500000000, -0.0005426200000000, 0.0002607900000000 ] - [ -0.0003882200000000, 0.0006066700000000, -0.0000785300000000 ] - [ 0.0001523000000000, -0.0000307000000000, 0.0005289000000000 ] - [ 0.0003078400000000, 0.0002457500000000, -0.0001122100000000 ] - [ -0.0007845200000000, 0.0011441100000000, -0.0003014200000000 ] - [ 0.0054784400000000, -0.0044700900000000, 0.0011178600000000 ] - [ 0.0059592500000000, -0.0053227400000000, 0.0070048300000000 ] - [ -0.0008484800000000, -0.0005561800000000, 0.0003768000000000 ] - [ 0.0007763000000000, 0.0025451000000000, 0.0011120800000000 ] - [ 0.0266554000000000, 0.0170371400000000, -0.0183334600000000 ] - [ -0.0002937900000000, -0.0010028000000000, -0.0007046700000000 ] - [ -0.0002632100000000, 0.0011682800000000, 0.0000108600000000 ] - [ -0.0127587900000000, -0.0044166700000000, 0.0170224800000000 ] - [ -0.0004100500000000, 0.0012699200000000, 0.0002632900000000 ] - [ 0.0004685100000000, 0.0010836400000000, -0.0000844700000000 ] - [ -0.0002075700000000, 0.0013339500000000, 0.0002461800000000 ] - [ -0.0000565900000000, 0.0010420700000000, -0.0003666700000000 ] - [ -0.0006644800000000, -0.0002762200000000, 0.0007490100000000 ] - [ 0.0006894100000000, 0.0007745900000000, -0.0013147000000000 ] - [ -0.0004337700000000, -0.0011189000000000, 0.0009179800000000 ] - [ 0.0002771300000000, 0.0004417100000000, -0.0002415000000000 ] - [ -0.0006909700000000, 0.0021565000000000, -0.0035176600000000 ] - [ 0.0001548500000000, 0.0007762300000000, -0.0000926100000000 ] - [ 0.0051416300000000, -0.0017749200000000, -0.0012597000000000 ] - [ -0.0016040000000000, -0.0018716900000000, -0.0069889500000000 ] - [ 0.0004101000000000, 0.0006476200000000, 0.0024734700000000 ] - [ 0.0003466900000000, 0.0009123700000000, -0.0000437100000000 ] - [ 0.0019587700000000, -0.0025536600000000, 0.0010994500000000 ] - [ 0.0051980800000000, 0.0000942000000000, 0.0018706300000000 ] - [ 0.0021524200000000, -0.0008068900000000, 0.0011251800000000 ] - [ -0.0003873200000000, -0.0007318900000000, 0.0007230500000000 ] - [ -0.0006971100000000, 0.0006198400000000, -0.0002759600000000 ] - [ -0.0002389600000000, 0.0012174600000000, 0.0000746800000000 ] - [ -0.3986199900000000, -0.1162756600000000, -0.0593607000000000 ] - [ 0.0002349300000000, -0.0003020300000000, -0.0005206400000000 ] - [ 0.0040732300000000, -0.0010463600000000, -0.0013351500000000 ] - [ 0.0002747100000000, 0.0008403100000000, -0.0001537800000000 ] - [ 0.0006025300000000, 0.0004690100000000, 0.0000874200000000 ] - [ 0.0000275500000000, -0.0007794300000000, -0.0009198300000000 ] - [ -0.0003298900000000, 0.0010050700000000, -0.0000300800000000 ] - [ 0.0001568500000000, 0.0001121700000000, -0.0002094900000000 ] - [ -0.0073992500000000, -0.0006579600000000, -0.0007303700000000 ] - [ 0.0036572400000000, 0.0003440800000000, 0.0008930700000000 ] - [ 0.0004297500000000, 0.0000126900000000, 0.0017274500000000 ] - [ 0.0002937900000000, 0.0003381400000000, 0.0001149900000000 ] - [ 0.0013394300000000, 0.0000375100000000, -0.0000267000000000 ] - [ -0.0005573700000000, -0.0005498200000000, 0.0015621700000000 ] - [ 0.0009195900000000, 0.0008696300000000, -0.0008951900000000 ] - [ 0.0044451600000000, -0.0050889200000000, 0.0006914700000000 ] - [ -0.0011040100000000, 0.0041448800000000, 0.0021078600000000 ] - [ -0.0002192300000000, 0.0005081500000000, -0.0006891400000000 ] - [ -0.0002424700000000, 0.0007851000000000, 0.0005136100000000 ] - [ 0.0004059000000000, 0.0004179200000000, 0.0003341400000000 ] - [ -0.0005263000000000, -0.0005153400000000, -0.0003738800000000 ] - [ 0.0000959800000000, 0.0006965000000000, -0.0000017400000000 ] - [ -0.0001134300000000, -0.0007178700000000, 0.0007735900000000 ] - [ -0.0005303100000000, 0.0002895600000000, 0.0004343900000000 ] - [ -0.0000139200000000, 0.0001290500000000, -0.0005276800000000 ] - [ 0.0000794900000000, 0.0003501600000000, -0.0000306000000000 ] - [ -0.0000277200000000, 0.0004420000000000, -0.0001005400000000 ] - [ 0.0000327800000000, 0.0007383800000000, -0.0001714700000000 ] - [ 0.0004310500000000, -0.0023518100000000, -0.0005585400000000 ] - [ -0.0023967700000000, -0.0069389400000000, -0.0025180800000000 ] - [ 0.0003385400000000, 0.0001614500000000, 0.0000827000000000 ] - [ -0.0001405000000000, -0.0000799300000000, 0.0017094000000000 ] - [ -0.0004719800000000, -0.0004868400000000, 0.0001040800000000 ] - [ -0.0003059600000000, 0.0001065100000000, -0.0000466900000000 ] - [ -0.0028152600000000, 0.0059284800000000, 0.0064982000000000 ] - [ 0.0002996700000000, -0.0001866200000000, 0.0003678200000000 ] - [ 0.0005185800000000, -0.0004497100000000, -0.0002577000000000 ] - [ -0.0003687900000000, -0.0000996900000000, 0.0000510800000000 ] - [ -0.0001367600000000, -0.0002841900000000, 0.0000551400000000 ] - [ -0.0000698700000000, -0.0007795200000000, 0.0000082600000000 ] - [ -0.0000357200000000, 0.0007117700000000, -0.0001432900000000 ] - [ -0.0003586900000000, -0.0005178000000000, 0.0003966200000000 ] - [ -0.0006995400000000, -0.0009942500000000, 0.0010449800000000 ] - [ -0.0025003500000000, 0.0017135900000000, -0.0008687700000000 ] - [ -0.0017597700000000, 0.0006954900000000, 0.0008919400000000 ] - [ 0.0023044700000000, -0.0002017200000000, 0.0001913400000000 ] - [ 0.0003516900000000, 0.0025657900000000, 0.0005050100000000 ] - [ -0.0000872000000000, -0.0012076400000000, -0.0001016900000000 ] - [ -0.0001256000000000, 0.0003838500000000, 0.0006607700000000 ] - [ -0.0036070900000000, -0.0013562400000000, 0.0036762800000000 ] - [ -0.0001930200000000, -0.0000570800000000, -0.0021364700000000 ] - [ -0.0006475000000000, -0.0045695500000000, 0.0006365200000000 ] - [ 0.0001107700000000, -0.0006051700000000, -0.0003012900000000 ] - [ 0.0005643900000000, -0.0015078100000000, -0.0000845600000000 ] - [ -0.0010226500000000, 0.0003270500000000, -0.0008809300000000 ] - [ -0.0010499800000000, 0.0012272200000000, -0.0017170100000000 ] - [ 0.0007132200000000, -0.0001115000000000, 0.0000215400000000 ] - [ 0.0003647000000000, 0.0003153600000000, -0.0001637900000000 ] - [ -0.0000473300000000, 0.0003258000000000, 0.0001985700000000 ] - [ 0.0004971400000000, -0.0020913100000000, -0.0019224700000000 ] - [ -0.0002811600000000, -0.0006581300000000, 0.0005003400000000 ] - [ 0.0003068800000000, -0.0004698500000000, 0.0000956400000000 ] - [ 0.0001277000000000, 0.0001484400000000, -0.0005719000000000 ] - [ 0.0003562200000000, -0.0006399600000000, 0.0004141700000000 ] - [ 0.0025670500000000, -0.0004179500000000, -0.0033847000000000 ] - [ 0.0000002500000000, -0.0003754700000000, -0.0000212300000000 ] - [ 0.0001097400000000, 0.0004749300000000, -0.0002216100000000 ] - [ -0.0002149900000000, 0.0000534900000000, 0.0001738100000000 ] - [ -0.0004608700000000, -0.0010186900000000, -0.0003397400000000 ] - [ -0.0029481000000000, 0.0004697800000000, -0.0015124800000000 ] - [ 0.0054172500000000, 0.0014471900000000, 0.0009692200000000 ] - [ -0.0001614800000000, -0.0006518300000000, 0.0002493700000000 ] - [ -0.0002589600000000, -0.0009801800000000, -0.0002116500000000 ] - [ 0.0003237900000000, -0.0008608500000000, 0.0003028700000000 ] - [ -0.0002395000000000, -0.0008170700000000, -0.0000963300000000 ] - [ 0.0004922100000000, 0.0009778900000000, 0.0012687600000000 ] - [ -0.0000861300000000, -0.0005993900000000, -0.0002219600000000 ] - [ 0.0006629700000000, -0.0002574400000000, -0.0000941300000000 ] - [ -0.0015638600000000, 0.0004200600000000, 0.0000566700000000 ] - [ 0.0005611800000000, -0.0004139700000000, -0.0001481600000000 ] - [ -0.0001395400000000, -0.0002889700000000, -0.0000144700000000 ] - [ -0.0011845100000000, -0.0008039700000000, 0.0005459900000000 ] - [ -0.0012804700000000, -0.0002795700000000, 0.0006710700000000 ] - [ 0.0002695500000000, 0.0009754000000000, -0.0009874000000000 ] - [ -0.0005660600000000, -0.0000455300000000, 0.0000304800000000 ] - [ -0.0020747000000000, 0.0000507700000000, -0.0000299900000000 ] - [ 0.0005653800000000, -0.0004818000000000, 0.0000740000000000 ] - [ 0.0588477500000000, 0.0117757200000000, -0.0258597400000000 ] - [ 0.0001119600000000, 0.0000369200000000, -0.0002040600000000 ] - [ 0.0016009600000000, 0.0014859100000000, -0.0013255600000000 ] - [ 0.0000852600000000, -0.0011439500000000, -0.0000459800000000 ] - [ -0.0003434500000000, 0.0003954300000000, -0.0003616800000000 ] - [ -0.0006608300000000, -0.0006020900000000, -0.0010223100000000 ] - [ -0.0078883200000000, 0.0032813700000000, -0.0015433200000000 ] - [ -0.0012082000000000, 0.0018896600000000, 0.0008845300000000 ] - [ -0.0010293100000000, 0.0006713900000000, 0.0006375300000000 ] - [ -0.0004291000000000, 0.0001636900000000, 0.0007922400000000 ] - [ -0.0005053800000000, -0.0008328000000000, 0.0001242200000000 ] - [ -0.0000658200000000, -0.0011285900000000, 0.0003441600000000 ] - [ 0.0000815600000000, -0.0004758500000000, 0.0000692700000000 ] - [ 0.0000513900000000, -0.0005556800000000, -0.0003377300000000 ] - [ 0.0001195200000000, 0.0001416800000000, -0.0009876400000000 ] - [ 0.0003027100000000, -0.0006290900000000, -0.0003576900000000 ] - [ -0.0004269100000000, -0.0001631900000000, -0.0000499700000000 ] - [ 0.1751593600000000, 0.0744080300000000, -0.0120924600000000 ] - [ 0.0022600400000000, 0.0049896900000000, -0.0019406300000000 ] - [ 0.0013866600000000, -0.0010496500000000, 0.0007125100000000 ] - [ 0.1464059200000000, 0.0243517500000000, 0.0975642800000000 ] - [ -0.0029881600000000, 0.0016580800000000, 0.0003416500000000 ] - [ 0.0008570700000000, 0.0015501900000000, -0.0000191600000000 ] - [ -0.0004748500000000, -0.0012517300000000, -0.0002409200000000 ] - [ -0.0000720900000000, 0.0002028700000000, 0.0001728300000000 ] - [ -0.0026048200000000, -0.0021219000000000, -0.0028160200000000 ] - [ 0.0003711700000000, -0.0000371200000000, 0.0000301400000000 ] - [ -0.0000768600000000, -0.0002473200000000, 0.0001404400000000 ] - [ 0.0004757600000000, 0.0012744900000000, 0.0001937700000000 ] - [ 0.0000048500000000, -0.0003752800000000, 0.0004633200000000 ] - [ 0.0005215900000000, -0.0005080500000000, -0.0000775000000000 ] - [ 0.0003959200000000, -0.0005332000000000, 0.0000456500000000 ] - [ -0.0004473800000000, 0.0006832300000000, -0.0004338500000000 ] - [ 0.0048078200000000, -0.0010959400000000, 0.0060072200000000 ] - [ -0.0036588300000000, -0.0042813800000000, -0.0028483500000000 ] - [ 0.0001632500000000, -0.0004011200000000, -0.0010434300000000 ] - [ -0.0003273900000000, -0.0003989500000000, -0.0003265800000000 ] - [ -0.0006939100000000, -0.0000016900000000, -0.0013714100000000 ] - [ 0.0000760900000000, -0.0003450100000000, -0.0002381600000000 ]- atom: 51 displacement: [ -0.0099999639143206, 0.0000000000000000, 0.0000268647033593 ] forces: - [ -0.0001399700000000, -0.0001600800000000, 0.0001197000000000 ] - [ -0.0001253000000000, -0.0004284200000000, -0.0000879000000000 ] - [ 0.0054365300000000, -0.0006588200000000, -0.0025888600000000 ] - [ -0.0067783200000000, -0.0046548700000000, 0.0036203400000000 ] - [ -0.0000386400000000, -0.0005433700000000, -0.0001165900000000 ] - [ -0.0008700200000000, -0.0005959100000000, 0.0000442100000000 ] - [ -0.0001196400000000, -0.0001369200000000, -0.0001844400000000 ] - [ 0.0006237300000000, 0.0006166500000000, 0.0011745100000000 ] - [ 0.0001407500000000, -0.0000665900000000, 0.0001310200000000 ] - [ 0.0000889400000000, -0.0000551900000000, 0.0001090300000000 ] - [ 0.0002743400000000, -0.0000111300000000, -0.0002165900000000 ] - [ -0.0006676100000000, -0.0001865000000000, -0.0000036800000000 ] - [ 0.0006844700000000, -0.0006227400000000, 0.0001830700000000 ] - [ 0.0042158300000000, -0.0012883600000000, 0.0003172500000000 ] - [ 0.0000262400000000, -0.0002959000000000, 0.0000585500000000 ] - [ -0.0003258100000000, -0.0002354000000000, 0.0000320200000000 ] - [ -0.0002704600000000, -0.0003901500000000, 0.0001572300000000 ] - [ -0.0005213600000000, 0.0002071500000000, -0.0004799500000000 ] - [ -0.0004807000000000, -0.0002715400000000, -0.0001398800000000 ] - [ -0.0000214600000000, 0.0004716300000000, -0.0004742700000000 ] - [ 0.0003088300000000, -0.0002360600000000, -0.0000333100000000 ] - [ 0.0006922100000000, -0.0004799100000000, 0.0000215000000000 ] - [ -0.0060593600000000, 0.0044432600000000, -0.0009483200000000 ] - [ -0.0058596200000000, 0.0056042800000000, -0.0069183600000000 ] - [ 0.0013765500000000, 0.0002476100000000, 0.0005449700000000 ] - [ -0.0007125400000000, -0.0030249700000000, -0.0008219300000000 ] - [ -0.0272355300000000, -0.0182495600000000, 0.0191222000000000 ] - [ -0.0002292700000000, 0.0006791500000000, -0.0002108700000000 ] - [ 0.0001939500000000, -0.0006958800000000, -0.0003002800000000 ] - [ 0.0129623300000000, 0.0047367500000000, -0.0179092100000000 ] - [ 0.0002237000000000, -0.0009573900000000, 0.0006084900000000 ] - [ -0.0003514500000000, -0.0007093900000000, 0.0001725200000000 ] - [ -0.0001651400000000, -0.0003140400000000, 0.0004206300000000 ] - [ -0.0004684300000000, -0.0007235800000000, -0.0005527800000000 ] - [ 0.0005620400000000, -0.0000995400000000, -0.0008439900000000 ] - [ -0.0005147600000000, -0.0010938400000000, 0.0004418700000000 ] - [ 0.0008379700000000, 0.0013150400000000, -0.0010031700000000 ] - [ 0.0000942300000000, -0.0014684300000000, -0.0004209400000000 ] - [ 0.0006139000000000, -0.0026336000000000, 0.0032308400000000 ] - [ 0.0002432200000000, -0.0009593900000000, 0.0000061600000000 ] - [ -0.0052711200000000, 0.0021515400000000, 0.0011950500000000 ] - [ 0.0021289800000000, 0.0022116600000000, 0.0079553900000000 ] - [ -0.0002914500000000, -0.0010230300000000, -0.0023897800000000 ] - [ -0.0007453500000000, -0.0007277300000000, 0.0001293700000000 ] - [ -0.0023546000000000, 0.0023744400000000, -0.0010044500000000 ] - [ -0.0048299100000000, 0.0009186400000000, -0.0025471100000000 ] - [ -0.0020942000000000, 0.0012803800000000, -0.0008544800000000 ] - [ 0.0001978900000000, 0.0004228100000000, 0.0001439900000000 ] - [ 0.0003875200000000, -0.0011142400000000, 0.0002273000000000 ] - [ 0.0003109600000000, -0.0008240600000000, 0.0000941600000000 ] - [ 0.4065071200000000, 0.1231840300000000, 0.0496283200000000 ] - [ 0.0000568800000000, 0.0001703200000000, 0.0010662500000000 ] - [ -0.0036441100000000, 0.0017037000000000, 0.0010964200000000 ] - [ -0.0006965900000000, -0.0001778900000000, 0.0003933500000000 ] - [ -0.0002871400000000, -0.0009482000000000, -0.0000338000000000 ] - [ 0.0002731100000000, 0.0000008400000000, 0.0004673900000000 ] - [ 0.0003628500000000, -0.0003929400000000, -0.0001866600000000 ] - [ 0.0002643300000000, -0.0007752800000000, -0.0000293400000000 ] - [ 0.0073422500000000, 0.0010467100000000, 0.0005603800000000 ] - [ -0.0037100000000000, -0.0009507100000000, -0.0006783300000000 ] - [ -0.0007272700000000, 0.0001222600000000, -0.0022754900000000 ] - [ -0.0000008100000000, -0.0002059100000000, 0.0004283000000000 ] - [ -0.0013752500000000, 0.0005810200000000, 0.0002442100000000 ] - [ 0.0001523500000000, -0.0001138300000000, -0.0013314200000000 ] - [ -0.0012172200000000, -0.0010017800000000, 0.0003466700000000 ] - [ -0.0041965000000000, 0.0048317900000000, -0.0008372100000000 ] - [ 0.0008559000000000, -0.0038919000000000, -0.0019635300000000 ] - [ 0.0005318900000000, 0.0002655900000000, 0.0002488400000000 ] - [ -0.0000581200000000, -0.0000050500000000, -0.0000584100000000 ] - [ -0.0001528200000000, -0.0001591200000000, -0.0004751600000000 ] - [ 0.0000689200000000, 0.0004425400000000, 0.0010675100000000 ] - [ 0.0002201400000000, -0.0002212200000000, 0.0000559700000000 ] - [ -0.0001849600000000, -0.0000613900000000, -0.0003179700000000 ] - [ 0.0000807000000000, -0.0002215400000000, 0.0002583400000000 ] - [ 0.0004638300000000, -0.0001986800000000, -0.0001638100000000 ] - [ -0.0003331500000000, -0.0006103700000000, 0.0001724300000000 ] - [ -0.0000450200000000, -0.0008395600000000, -0.0000682300000000 ] - [ -0.0000005400000000, -0.0013513800000000, -0.0000448600000000 ] - [ -0.0003747200000000, 0.0019602100000000, 0.0007257700000000 ] - [ 0.0020717700000000, 0.0074396800000000, 0.0024798400000000 ] - [ 0.0001369800000000, 0.0006411400000000, -0.0000173500000000 ] - [ 0.0000112300000000, 0.0000623300000000, -0.0008786500000000 ] - [ -0.0000821000000000, 0.0003149700000000, 0.0003677600000000 ] - [ 0.0000325700000000, 0.0006706400000000, -0.0001960300000000 ] - [ 0.0029028400000000, -0.0060515600000000, -0.0058624400000000 ] - [ 0.0001864200000000, 0.0002593800000000, -0.0001554300000000 ] - [ -0.0000320900000000, 0.0003437900000000, 0.0000049800000000 ] - [ -0.0001904100000000, 0.0001843600000000, -0.0002584600000000 ] - [ -0.0002551200000000, 0.0002142500000000, 0.0003567800000000 ] - [ 0.0005466800000000, -0.0000207300000000, 0.0000582800000000 ] - [ 0.0002641800000000, -0.0005746500000000, 0.0004223400000000 ] - [ 0.0000836000000000, 0.0016035900000000, -0.0000497900000000 ] - [ 0.0002260300000000, 0.0015077500000000, -0.0002076300000000 ] - [ 0.0030666600000000, -0.0017394400000000, 0.0014550900000000 ] - [ 0.0016088600000000, -0.0018715400000000, -0.0005586100000000 ] - [ -0.0020884900000000, -0.0009168800000000, -0.0005594900000000 ] - [ -0.0000779700000000, -0.0017984200000000, -0.0002664600000000 ] - [ 0.0002394900000000, 0.0000286500000000, -0.0002362400000000 ] - [ -0.0002642600000000, -0.0003117800000000, -0.0002500700000000 ] - [ 0.0032088600000000, 0.0022088100000000, -0.0037225400000000 ] - [ 0.0003253300000000, 0.0000740900000000, 0.0013084000000000 ] - [ 0.0000787300000000, 0.0046007900000000, -0.0012123400000000 ] - [ 0.0004595600000000, 0.0006337100000000, 0.0008738300000000 ] - [ -0.0007860300000000, 0.0003832600000000, 0.0004545200000000 ] - [ 0.0013003100000000, -0.0014176500000000, 0.0005411300000000 ] - [ 0.0008112000000000, -0.0011378000000000, 0.0019124700000000 ] - [ -0.0011942700000000, 0.0001836100000000, -0.0002316800000000 ] - [ 0.0001174700000000, 0.0001948800000000, -0.0006719800000000 ] - [ 0.0002888900000000, -0.0004197900000000, -0.0003952500000000 ] - [ -0.0008325200000000, 0.0026389100000000, 0.0025131000000000 ] - [ -0.0000527100000000, 0.0001127100000000, 0.0000876100000000 ] - [ 0.0002573300000000, 0.0003818500000000, 0.0001121800000000 ] - [ 0.0002031600000000, 0.0003950200000000, -0.0000140700000000 ] - [ -0.0002924000000000, 0.0007745000000000, 0.0002479900000000 ] - [ -0.0030524000000000, -0.0000872900000000, 0.0042339300000000 ] - [ 0.0002387500000000, 0.0004664200000000, -0.0001730800000000 ] - [ 0.0004515800000000, -0.0003884200000000, 0.0004270700000000 ] - [ 0.0005390900000000, 0.0000776000000000, 0.0001588400000000 ] - [ 0.0001877600000000, 0.0002449900000000, 0.0000975500000000 ] - [ 0.0032843300000000, -0.0006167300000000, 0.0018414900000000 ] - [ -0.0058995500000000, -0.0006564900000000, -0.0010479600000000 ] - [ -0.0001145100000000, 0.0004137300000000, 0.0000816200000000 ] - [ -0.0000661700000000, 0.0008427000000000, -0.0001208400000000 ] - [ -0.0001054500000000, 0.0011936100000000, -0.0001862300000000 ] - [ -0.0001488400000000, -0.0000488800000000, 0.0000378700000000 ] - [ -0.0007288600000000, -0.0011344900000000, -0.0015950600000000 ] - [ 0.0000162600000000, 0.0004807600000000, -0.0004411900000000 ] - [ -0.0008983500000000, 0.0003947700000000, -0.0001886200000000 ] - [ 0.0025036200000000, -0.0002736600000000, 0.0000624000000000 ] - [ 0.0004027400000000, 0.0010009800000000, 0.0000159600000000 ] - [ -0.0003454900000000, 0.0002173500000000, -0.0002009300000000 ] - [ 0.0009495700000000, 0.0007147300000000, -0.0003511200000000 ] - [ 0.0010681600000000, -0.0000553400000000, -0.0007826900000000 ] - [ -0.0001226500000000, 0.0002014200000000, 0.0006509500000000 ] - [ -0.0003749500000000, 0.0001867600000000, -0.0001540100000000 ] - [ 0.0023592600000000, 0.0010322100000000, -0.0003216900000000 ] - [ 0.0003784400000000, 0.0003378500000000, 0.0000491200000000 ] - [ -0.0589407300000000, -0.0120417300000000, 0.0260171700000000 ] - [ 0.0001071100000000, 0.0010918900000000, -0.0001640600000000 ] - [ -0.0025711700000000, -0.0016375200000000, 0.0012111300000000 ] - [ -0.0003609000000000, 0.0000593300000000, 0.0003939800000000 ] - [ -0.0002273700000000, -0.0004852900000000, 0.0001489600000000 ] - [ 0.0005918300000000, 0.0007278200000000, 0.0003623100000000 ] - [ 0.0073466400000000, -0.0030980600000000, 0.0020122700000000 ] - [ 0.0010112700000000, -0.0007694400000000, -0.0005107800000000 ] - [ 0.0015177100000000, -0.0005578100000000, -0.0008866000000000 ] - [ 0.0001943600000000, -0.0002962300000000, -0.0003790500000000 ] - [ -0.0004571800000000, 0.0002484200000000, 0.0000081200000000 ] - [ -0.0004039800000000, 0.0003457200000000, -0.0004163700000000 ] - [ 0.0001480600000000, 0.0003389100000000, 0.0002128500000000 ] - [ 0.0001815700000000, 0.0004222300000000, -0.0000881400000000 ] - [ 0.0001130300000000, -0.0000075000000000, 0.0005620900000000 ] - [ 0.0001794300000000, 0.0001190800000000, -0.0004772600000000 ] - [ 0.0008177600000000, 0.0010308000000000, 0.0001077300000000 ] - [ -0.1862904600000000, -0.0825636900000000, 0.0142662900000000 ] - [ -0.0025359400000000, -0.0047534600000000, 0.0022657200000000 ] - [ -0.0011354900000000, 0.0002880200000000, -0.0004764100000000 ] - [ -0.1420349500000000, -0.0229639700000000, -0.0907964200000000 ] - [ 0.0033146700000000, -0.0022034400000000, -0.0009340200000000 ] - [ -0.0005688000000000, -0.0018018500000000, -0.0003171400000000 ] - [ 0.0006100800000000, 0.0012322800000000, -0.0005931000000000 ] - [ -0.0000800300000000, 0.0009776700000000, 0.0001656900000000 ] - [ 0.0024012400000000, 0.0024653200000000, 0.0027168700000000 ] - [ 0.0000214700000000, 0.0001039300000000, -0.0004490000000000 ] - [ -0.0004075100000000, 0.0003532500000000, 0.0001099600000000 ] - [ -0.0007176600000000, -0.0011456100000000, 0.0002379000000000 ] - [ -0.0001357200000000, 0.0003938700000000, 0.0003697500000000 ] - [ -0.0002461600000000, 0.0007474200000000, -0.0002535700000000 ] - [ -0.0001787900000000, 0.0002014100000000, 0.0000715500000000 ] - [ 0.0014200800000000, -0.0012722500000000, 0.0003064400000000 ] - [ -0.0057786700000000, 0.0016977000000000, -0.0059009100000000 ] - [ 0.0042091300000000, 0.0041195400000000, 0.0023732300000000 ] - [ -0.0004885700000000, 0.0005359300000000, 0.0007125300000000 ] - [ -0.0002434700000000, 0.0003728200000000, -0.0002488900000000 ] - [ 0.0010779100000000, -0.0008609700000000, 0.0014420700000000 ] - [ 0.0004789000000000, 0.0005217900000000, -0.0002342700000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001131200000000, -0.0001537800000000, -0.0001232400000000 ] - [ -0.0000048500000000, 0.0007749500000000, 0.0000472100000000 ] - [ -0.0006895300000000, 0.0076236800000000, 0.0083244700000000 ] - [ 0.0050604800000000, 0.0009529100000000, -0.0003635600000000 ] - [ -0.0000353200000000, -0.0001130000000000, -0.0002024500000000 ] - [ 0.0002884400000000, 0.0003742000000000, -0.0001387700000000 ] - [ -0.0000878700000000, 0.0003633300000000, -0.0000858600000000 ] - [ 0.0005859200000000, -0.0001974700000000, -0.0008722500000000 ] - [ 0.0002776700000000, -0.0000891100000000, -0.0006518900000000 ] - [ -0.0000751500000000, 0.0002636200000000, -0.0001142400000000 ] - [ 0.0000665800000000, 0.0002766500000000, 0.0000728700000000 ] - [ 0.0003095400000000, -0.0004267500000000, 0.0003101000000000 ] - [ 0.0003060600000000, 0.0004742000000000, 0.0000654300000000 ] - [ -0.0004383900000000, 0.0132181800000000, 0.0028363500000000 ] - [ -0.0000980500000000, 0.0003200800000000, 0.0001338300000000 ] - [ -0.0002794600000000, 0.0002220900000000, -0.0000105600000000 ] - [ 0.0000326500000000, -0.0000176900000000, -0.0002527400000000 ] - [ -0.0003759900000000, -0.0004352400000000, -0.0001450300000000 ] - [ -0.0004118200000000, 0.0005477000000000, -0.0000049100000000 ] - [ -0.0001951000000000, -0.0000635300000000, -0.0001894000000000 ] - [ 0.0003214700000000, 0.0002403500000000, -0.0001361200000000 ] - [ -0.0003994200000000, 0.0011778200000000, -0.0001746100000000 ] - [ -0.0014296100000000, -0.0008184400000000, -0.0006210700000000 ] - [ -0.0039031800000000, -0.0023049500000000, 0.0000489400000000 ] - [ -0.0005987900000000, -0.0004110800000000, 0.0010516700000000 ] - [ 0.0004375900000000, -0.0001603400000000, 0.0012217100000000 ] - [ 0.0180278300000000, 0.0108845500000000, -0.0112179100000000 ] - [ -0.0007519400000000, 0.0003975000000000, -0.0010933700000000 ] - [ -0.0001730200000000, 0.0011976100000000, -0.0000041800000000 ] - [ -0.0042574400000000, -0.0038885400000000, 0.0008280700000000 ] - [ -0.0002235000000000, 0.0012628400000000, 0.0003744300000000 ] - [ 0.0002468200000000, 0.0011401600000000, -0.0000126700000000 ] - [ -0.0002113800000000, 0.0016243700000000, -0.0001663200000000 ] - [ -0.0001549500000000, 0.0010751200000000, -0.0004437900000000 ] - [ -0.0012455100000000, 0.0006025300000000, -0.0002996500000000 ] - [ 0.0009997800000000, 0.0011268800000000, -0.0011916300000000 ] - [ -0.0002651600000000, -0.0019603200000000, -0.0002146100000000 ] - [ 0.0001941200000000, 0.0002150100000000, -0.0004574800000000 ] - [ 0.0001352800000000, 0.0020794600000000, -0.0023829900000000 ] - [ 0.0001217400000000, 0.0010869500000000, 0.0002577800000000 ] - [ 0.0020527600000000, -0.0014475900000000, -0.0011423100000000 ] - [ -0.0003176600000000, -0.0017571100000000, -0.0129771100000000 ] - [ 0.0003228200000000, 0.0000927700000000, 0.0017641000000000 ] - [ -0.0000029700000000, 0.0011449500000000, -0.0000076600000000 ] - [ 0.0000104300000000, -0.0013960800000000, -0.0007340000000000 ] - [ 0.0029048000000000, -0.0002493300000000, 0.0021482300000000 ] - [ 0.0019446300000000, -0.0007120500000000, 0.0005277900000000 ] - [ -0.0003124200000000, -0.0010313700000000, 0.0012166900000000 ] - [ -0.0005158000000000, 0.0015264100000000, -0.0003455300000000 ] - [ -0.0000179300000000, 0.0009099700000000, 0.0001155900000000 ] - [ -0.1170177900000000, -0.2644891900000000, 0.0469026200000000 ] - [ 0.0003867700000000, -0.0003710900000000, -0.0006706000000000 ] - [ 0.0023821300000000, -0.0007659000000000, -0.0009181900000000 ] - [ -0.0001231600000000, 0.0007130900000000, -0.0000092200000000 ] - [ 0.0003550100000000, 0.0002657400000000, 0.0000896100000000 ] - [ -0.0004779400000000, 0.0003222400000000, 0.0001980600000000 ] - [ -0.0001639800000000, 0.0008612100000000, -0.0000503500000000 ] - [ 0.0001691500000000, 0.0003704400000000, -0.0003453100000000 ] - [ -0.0038449700000000, 0.0013210900000000, -0.0010407900000000 ] - [ 0.0002456200000000, -0.0004142900000000, 0.0001475900000000 ] - [ 0.0002617100000000, -0.0002459200000000, -0.0006745400000000 ] - [ 0.0004314800000000, 0.0003859300000000, 0.0002549200000000 ] - [ 0.0006441800000000, 0.0003341000000000, 0.0000252400000000 ] - [ -0.0018399200000000, -0.0018111200000000, 0.0008762100000000 ] - [ 0.0010024700000000, 0.0006532800000000, 0.0001365800000000 ] - [ 0.0028294800000000, -0.0034942500000000, 0.0012276300000000 ] - [ -0.0005312600000000, 0.0024014200000000, 0.0015958600000000 ] - [ -0.0009708400000000, 0.0006648600000000, -0.0018176800000000 ] - [ -0.0003544700000000, 0.0008980600000000, 0.0006217600000000 ] - [ 0.0002188300000000, 0.0004529500000000, -0.0003707600000000 ] - [ -0.0006982500000000, -0.0001004100000000, 0.0002362400000000 ] - [ 0.0000672200000000, 0.0008708700000000, -0.0000193300000000 ] - [ -0.0004062700000000, -0.0005188100000000, 0.0000773700000000 ] - [ -0.0004805900000000, 0.0002466500000000, 0.0003125400000000 ] - [ 0.0000602200000000, 0.0000515800000000, -0.0007718500000000 ] - [ 0.0000434900000000, 0.0003508900000000, -0.0001672000000000 ] - [ 0.0000036400000000, 0.0005149000000000, -0.0000953800000000 ] - [ 0.0000882400000000, 0.0007058200000000, -0.0001542500000000 ] - [ 0.0008919400000000, -0.0035437300000000, -0.0002159500000000 ] - [ -0.0025786400000000, -0.0048915800000000, -0.0010213300000000 ] - [ 0.0002870200000000, -0.0000911500000000, 0.0001109500000000 ] - [ -0.0002576900000000, -0.0001056600000000, 0.0017142200000000 ] - [ -0.0002707500000000, -0.0004135500000000, 0.0004308800000000 ] - [ -0.0001034300000000, -0.0001835600000000, -0.0000084100000000 ] - [ -0.0016168100000000, 0.0042548100000000, 0.0043037000000000 ] - [ 0.0001840800000000, -0.0001728100000000, 0.0006245900000000 ] - [ 0.0004486300000000, -0.0003911600000000, -0.0001530200000000 ] - [ 0.0001626600000000, -0.0005954900000000, -0.0002277900000000 ] - [ -0.0001556700000000, -0.0002778300000000, 0.0002099600000000 ] - [ 0.0001178700000000, -0.0007439900000000, -0.0000879300000000 ] - [ 0.0002710600000000, 0.0002323500000000, 0.0005224900000000 ] - [ -0.0003495900000000, -0.0004501300000000, 0.0003118100000000 ] - [ -0.0011865500000000, -0.0010154100000000, 0.0006304200000000 ] - [ -0.0013199500000000, 0.0014594500000000, -0.0013493500000000 ] - [ -0.0008907800000000, 0.0003536200000000, 0.0008336700000000 ] - [ 0.0012437300000000, -0.0013280400000000, 0.0001330600000000 ] - [ 0.0004427100000000, 0.0021689100000000, 0.0002701700000000 ] - [ 0.0000618100000000, -0.0011432400000000, -0.0002214600000000 ] - [ 0.0000768700000000, -0.0001925100000000, 0.0003466000000000 ] - [ -0.0026528500000000, -0.0005910500000000, 0.0024301400000000 ] - [ -0.0002426000000000, 0.0002646100000000, -0.0000493200000000 ] - [ -0.0006867100000000, -0.0028659300000000, -0.0000906100000000 ] - [ 0.0002497000000000, -0.0001767200000000, 0.0003762500000000 ] - [ 0.0000200400000000, -0.0011099200000000, -0.0002530300000000 ] - [ -0.0001766100000000, -0.0000953100000000, -0.0003367500000000 ] - [ -0.0004932300000000, 0.0007350400000000, 0.0002616800000000 ] - [ 0.0006095700000000, -0.0004375400000000, -0.0006898100000000 ] - [ 0.0002907500000000, 0.0003246500000000, -0.0001072900000000 ] - [ -0.0002556100000000, 0.0005134800000000, 0.0003914300000000 ] - [ 0.0000721800000000, -0.0013597500000000, -0.0012928200000000 ] - [ -0.0002501000000000, -0.0006946700000000, 0.0005652700000000 ] - [ 0.0003938700000000, -0.0005886700000000, 0.0000377600000000 ] - [ 0.0002863500000000, 0.0000626900000000, 0.0001202000000000 ] - [ 0.0003931500000000, -0.0014250400000000, 0.0006509600000000 ] - [ 0.0005306700000000, 0.0002691500000000, -0.0001923300000000 ] - [ -0.0001021900000000, -0.0004564900000000, -0.0001080500000000 ] - [ 0.0005052300000000, 0.0004372700000000, 0.0003755500000000 ] - [ 0.0000442900000000, -0.0001938000000000, 0.0001959000000000 ] - [ -0.0003179500000000, -0.0009029800000000, -0.0002697700000000 ] - [ -0.0007330000000000, 0.0003344500000000, -0.0002910000000000 ] - [ 0.0021059000000000, 0.0022513800000000, -0.0009196300000000 ] - [ -0.0001527800000000, -0.0007229700000000, 0.0002678900000000 ] - [ -0.0002634300000000, -0.0010045300000000, -0.0002553700000000 ] - [ 0.0002047300000000, -0.0008310300000000, 0.0002023000000000 ] - [ -0.0003104500000000, -0.0009084500000000, -0.0000108600000000 ] - [ 0.0003044900000000, 0.0017926300000000, 0.0029087800000000 ] - [ -0.0000108700000000, -0.0007126200000000, -0.0002191600000000 ] - [ 0.0006749900000000, -0.0007276400000000, -0.0007365800000000 ] - [ -0.0005143900000000, 0.0001619400000000, 0.0002923500000000 ] - [ 0.0004352700000000, -0.0001728600000000, -0.0001279300000000 ] - [ -0.0001716900000000, -0.0002982900000000, 0.0000380800000000 ] - [ -0.0009966300000000, -0.0007182800000000, 0.0001774600000000 ] - [ -0.0008685800000000, -0.0002442600000000, 0.0003126100000000 ] - [ 0.0004481200000000, 0.0019764800000000, -0.0004792400000000 ] - [ -0.0003330300000000, -0.0000794100000000, -0.0000998300000000 ] - [ -0.0002856200000000, 0.0009892600000000, -0.0001835300000000 ] - [ 0.0006719500000000, -0.0006083300000000, 0.0001318100000000 ] - [ 0.0116670200000000, 0.0791753300000000, -0.0556382100000000 ] - [ 0.0000996200000000, -0.0000308000000000, -0.0002053100000000 ] - [ 0.0027323600000000, 0.0027836600000000, 0.0003428300000000 ] - [ -0.0000044300000000, -0.0010415900000000, 0.0000374800000000 ] - [ 0.0004620900000000, 0.0005934600000000, 0.0005297300000000 ] - [ -0.0003807800000000, -0.0003423900000000, -0.0008849100000000 ] - [ -0.0051742800000000, 0.0021343900000000, -0.0010694900000000 ] - [ -0.0030664600000000, 0.0026959100000000, 0.0017554800000000 ] - [ 0.0000600800000000, 0.0003341900000000, -0.0001853000000000 ] - [ -0.0001248300000000, -0.0000528000000000, 0.0014139600000000 ] - [ -0.0005603700000000, -0.0009218200000000, 0.0001461200000000 ] - [ -0.0005105200000000, -0.0021405300000000, 0.0005793800000000 ] - [ 0.0001458800000000, -0.0005471100000000, 0.0000038600000000 ] - [ 0.0001455200000000, -0.0006236300000000, -0.0004701900000000 ] - [ 0.0001484400000000, 0.0000137100000000, -0.0003872400000000 ] - [ 0.0001905600000000, -0.0006725700000000, -0.0004797400000000 ] - [ 0.0000087600000000, 0.0001880100000000, -0.0000308800000000 ] - [ 0.0762056600000000, 0.1010163700000000, -0.0083679700000000 ] - [ 0.0016886800000000, 0.0019273800000000, 0.0001188800000000 ] - [ 0.0016169200000000, -0.0022907600000000, 0.0009953700000000 ] - [ 0.0221357200000000, 0.0586021600000000, 0.0227898500000000 ] - [ -0.0013040300000000, 0.0012636000000000, -0.0003711400000000 ] - [ 0.0004084100000000, 0.0023980500000000, -0.0000421700000000 ] - [ -0.0005641400000000, -0.0005599400000000, -0.0012109100000000 ] - [ -0.0000017600000000, -0.0002004400000000, 0.0002588700000000 ] - [ -0.0002440800000000, 0.0007534500000000, 0.0001509800000000 ] - [ 0.0002623200000000, 0.0000626100000000, 0.0000796300000000 ] - [ -0.0001669600000000, -0.0002228200000000, 0.0003088700000000 ] - [ 0.0009356800000000, -0.0004838800000000, 0.0001931300000000 ] - [ -0.0000566900000000, -0.0003955500000000, 0.0003565600000000 ] - [ 0.0002577400000000, -0.0003736400000000, -0.0001846500000000 ] - [ 0.0002647700000000, -0.0004947200000000, 0.0000113200000000 ] - [ -0.0007661900000000, 0.0011704800000000, -0.0005977100000000 ] - [ 0.0017916000000000, -0.0014426900000000, 0.0039901000000000 ] - [ -0.0020329100000000, -0.0024894100000000, -0.0020985700000000 ] - [ 0.0000111400000000, -0.0001975100000000, -0.0009504600000000 ] - [ -0.0003263300000000, -0.0004286800000000, -0.0001917700000000 ] - [ 0.0004251500000000, 0.0003166600000000, -0.0009327300000000 ] - [ 0.0001706500000000, -0.0003291300000000, -0.0001079400000000 ]- atom: 51 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000760600000000, -0.0000624800000000, 0.0003076800000000 ] - [ -0.0001212700000000, -0.0003378100000000, -0.0001053800000000 ] - [ 0.0012952300000000, -0.0077860800000000, -0.0086142800000000 ] - [ -0.0049361600000000, -0.0016362400000000, 0.0006345700000000 ] - [ -0.0000574000000000, -0.0005499500000000, -0.0000773900000000 ] - [ -0.0004787100000000, -0.0005844000000000, -0.0000436200000000 ] - [ -0.0001020400000000, -0.0001496400000000, -0.0000987300000000 ] - [ 0.0002790100000000, 0.0005349100000000, 0.0010888700000000 ] - [ -0.0002212000000000, -0.0000186900000000, 0.0005400200000000 ] - [ 0.0000168400000000, -0.0001585200000000, 0.0002277600000000 ] - [ 0.0000257200000000, 0.0003845500000000, 0.0002073400000000 ] - [ -0.0001846100000000, -0.0000144300000000, -0.0002505800000000 ] - [ 0.0005595900000000, -0.0008065000000000, 0.0001481100000000 ] - [ 0.0004926800000000, -0.0128205200000000, -0.0028963900000000 ] - [ 0.0000402100000000, -0.0004240200000000, -0.0000202100000000 ] - [ -0.0003349700000000, -0.0002323800000000, 0.0001569200000000 ] - [ -0.0001586400000000, -0.0004171200000000, 0.0001939500000000 ] - [ -0.0004906900000000, 0.0001008200000000, -0.0000723800000000 ] - [ -0.0004540400000000, -0.0002101700000000, -0.0002111500000000 ] - [ 0.0003221400000000, 0.0004985900000000, 0.0002462800000000 ] - [ 0.0002926800000000, -0.0002303900000000, -0.0000102400000000 ] - [ 0.0003074500000000, -0.0005173900000000, -0.0001029800000000 ] - [ 0.0008344300000000, 0.0008372100000000, 0.0007734800000000 ] - [ 0.0040826400000000, 0.0024939200000000, 0.0001298100000000 ] - [ 0.0011142900000000, 0.0000916200000000, -0.0001179800000000 ] - [ -0.0003608100000000, -0.0003204800000000, -0.0009207800000000 ] - [ -0.0185326200000000, -0.0119385400000000, 0.0119380900000000 ] - [ 0.0002323700000000, -0.0007116900000000, 0.0001779100000000 ] - [ 0.0001035700000000, -0.0007234000000000, -0.0002858200000000 ] - [ 0.0044587300000000, 0.0041870400000000, -0.0017430800000000 ] - [ 0.0000376400000000, -0.0009460700000000, 0.0004991800000000 ] - [ -0.0001302600000000, -0.0007614200000000, 0.0001017800000000 ] - [ -0.0001607800000000, -0.0006003900000000, 0.0008291900000000 ] - [ -0.0003699600000000, -0.0007530700000000, -0.0004766900000000 ] - [ 0.0011279800000000, -0.0009827600000000, 0.0001998900000000 ] - [ -0.0008126400000000, -0.0014467400000000, 0.0003102400000000 ] - [ 0.0006652600000000, 0.0021582200000000, 0.0001191300000000 ] - [ 0.0001778600000000, -0.0012400900000000, -0.0002049400000000 ] - [ -0.0002148400000000, -0.0025457700000000, 0.0021008800000000 ] - [ 0.0002742100000000, -0.0012631300000000, -0.0003410400000000 ] - [ -0.0021796000000000, 0.0018137200000000, 0.0010554500000000 ] - [ 0.0008564600000000, 0.0020937500000000, 0.0138334700000000 ] - [ -0.0002108100000000, -0.0004653000000000, -0.0016829900000000 ] - [ -0.0003963800000000, -0.0009589100000000, 0.0000898900000000 ] - [ -0.0004062100000000, 0.0012237100000000, 0.0008173200000000 ] - [ -0.0025368100000000, 0.0012850800000000, -0.0028085300000000 ] - [ -0.0018828100000000, 0.0011799800000000, -0.0002399700000000 ] - [ 0.0001312300000000, 0.0007229900000000, -0.0003528400000000 ] - [ 0.0002027100000000, -0.0020104500000000, 0.0002896000000000 ] - [ 0.0000904100000000, -0.0005092200000000, 0.0000535900000000 ] - [ 0.1220336900000000, 0.2664756900000000, -0.0456199900000000 ] - [ -0.0000948700000000, 0.0002390900000000, 0.0012132200000000 ] - [ -0.0019520400000000, 0.0014243800000000, 0.0006781200000000 ] - [ -0.0002988500000000, -0.0000516600000000, 0.0002491100000000 ] - [ -0.0000389500000000, -0.0007389500000000, -0.0000358800000000 ] - [ 0.0007701400000000, -0.0010970300000000, -0.0006531500000000 ] - [ 0.0001978800000000, -0.0002525700000000, -0.0001658600000000 ] - [ 0.0002517300000000, -0.0010308600000000, 0.0001052800000000 ] - [ 0.0037800400000000, -0.0009240600000000, 0.0008823300000000 ] - [ -0.0002771500000000, -0.0002205600000000, 0.0000621000000000 ] - [ -0.0005577000000000, 0.0003794800000000, 0.0001255000000000 ] - [ -0.0001370800000000, -0.0002521500000000, 0.0002883400000000 ] - [ -0.0006786600000000, 0.0002724500000000, 0.0001909100000000 ] - [ 0.0014184100000000, 0.0011541500000000, -0.0006363900000000 ] - [ -0.0012862300000000, -0.0007816000000000, -0.0006799700000000 ] - [ -0.0025745000000000, 0.0032318400000000, -0.0013667800000000 ] - [ 0.0002701900000000, -0.0021426300000000, -0.0014535700000000 ] - [ 0.0012802000000000, 0.0001102500000000, 0.0013707300000000 ] - [ 0.0000520100000000, -0.0001156100000000, -0.0001651400000000 ] - [ 0.0000339500000000, -0.0001948900000000, 0.0002295400000000 ] - [ 0.0002605000000000, 0.0000365500000000, 0.0004637000000000 ] - [ 0.0002487200000000, -0.0003922100000000, 0.0000730600000000 ] - [ 0.0001076000000000, -0.0002578800000000, 0.0003747400000000 ] - [ 0.0000305400000000, -0.0001778500000000, 0.0003802500000000 ] - [ 0.0003904400000000, -0.0001221000000000, 0.0000780000000000 ] - [ -0.0002966900000000, -0.0006094800000000, 0.0003076300000000 ] - [ -0.0000753500000000, -0.0009106200000000, -0.0000734800000000 ] - [ -0.0000566300000000, -0.0013151900000000, -0.0000617500000000 ] - [ -0.0008162600000000, 0.0031656200000000, 0.0003871200000000 ] - [ 0.0022409600000000, 0.0053515800000000, 0.0009638800000000 ] - [ 0.0001863900000000, 0.0008916600000000, -0.0000462900000000 ] - [ 0.0001271200000000, 0.0000854100000000, -0.0008819500000000 ] - [ -0.0002811000000000, 0.0002442000000000, 0.0000430900000000 ] - [ -0.0001686900000000, 0.0009579400000000, -0.0002350600000000 ] - [ 0.0016956600000000, -0.0043646500000000, -0.0036390700000000 ] - [ 0.0003012500000000, 0.0002453300000000, -0.0004080400000000 ] - [ 0.0000401000000000, 0.0002844600000000, -0.0000997200000000 ] - [ -0.0007181200000000, 0.0006782000000000, 0.0000214500000000 ] - [ -0.0002355200000000, 0.0002084800000000, 0.0002037700000000 ] - [ 0.0003556600000000, -0.0000597400000000, 0.0001536600000000 ] - [ -0.0000436500000000, -0.0000979100000000, -0.0002429300000000 ] - [ 0.0000729000000000, 0.0015335300000000, 0.0000355700000000 ] - [ 0.0006928400000000, 0.0015188300000000, 0.0002124500000000 ] - [ 0.0018915600000000, -0.0014852000000000, 0.0019179300000000 ] - [ 0.0007392200000000, -0.0015317800000000, -0.0004940000000000 ] - [ -0.0010257700000000, 0.0002006200000000, -0.0005035300000000 ] - [ -0.0001646500000000, -0.0013847100000000, -0.0000264900000000 ] - [ 0.0000906100000000, -0.0000352700000000, -0.0001188900000000 ] - [ -0.0004718900000000, 0.0002591000000000, 0.0000634300000000 ] - [ 0.0022507400000000, 0.0014389400000000, -0.0024680200000000 ] - [ 0.0003762900000000, -0.0002446700000000, -0.0007787800000000 ] - [ 0.0001302300000000, 0.0028947300000000, -0.0004905500000000 ] - [ 0.0003207700000000, 0.0002058200000000, 0.0001941300000000 ] - [ -0.0002407900000000, -0.0000208400000000, 0.0006145000000000 ] - [ 0.0004530800000000, -0.0009836300000000, -0.0000100400000000 ] - [ 0.0002578400000000, -0.0006485100000000, -0.0000609000000000 ] - [ -0.0011059600000000, 0.0005118600000000, 0.0004747400000000 ] - [ 0.0001909100000000, 0.0001838200000000, -0.0007257300000000 ] - [ 0.0004929300000000, -0.0006067000000000, -0.0005840900000000 ] - [ -0.0004002600000000, 0.0019040600000000, 0.0018795700000000 ] - [ -0.0000830400000000, 0.0001484900000000, 0.0000219100000000 ] - [ 0.0001747100000000, 0.0004965800000000, 0.0001698100000000 ] - [ 0.0000457200000000, 0.0004813500000000, -0.0007034900000000 ] - [ -0.0003266700000000, 0.0015540700000000, 0.0000142900000000 ] - [ -0.0010194000000000, -0.0007730800000000, 0.0010444600000000 ] - [ 0.0003369400000000, 0.0005438500000000, -0.0000862300000000 ] - [ 0.0000599100000000, -0.0003505100000000, -0.0001671600000000 ] - [ 0.0002817600000000, 0.0003361700000000, 0.0001382100000000 ] - [ 0.0000464700000000, 0.0001245600000000, 0.0000268800000000 ] - [ 0.0010731600000000, -0.0004678900000000, 0.0006411900000000 ] - [ -0.0025698600000000, -0.0014259300000000, 0.0008351600000000 ] - [ -0.0001221400000000, 0.0004826900000000, 0.0000651100000000 ] - [ -0.0000623000000000, 0.0008609300000000, -0.0000779600000000 ] - [ 0.0000151500000000, 0.0011611600000000, -0.0000860400000000 ] - [ -0.0000753300000000, 0.0000426800000000, -0.0000479000000000 ] - [ -0.0005357100000000, -0.0019489900000000, -0.0032219400000000 ] - [ -0.0000585500000000, 0.0005898700000000, -0.0004445200000000 ] - [ -0.0008943200000000, 0.0008557100000000, 0.0004497300000000 ] - [ 0.0014493100000000, -0.0000241400000000, -0.0001692300000000 ] - [ 0.0005290100000000, 0.0007586000000000, -0.0000049900000000 ] - [ -0.0003138200000000, 0.0002264800000000, -0.0002550200000000 ] - [ 0.0007551000000000, 0.0006259900000000, 0.0000183200000000 ] - [ 0.0006527500000000, -0.0000812900000000, -0.0004291600000000 ] - [ -0.0002960700000000, -0.0008061600000000, 0.0001420700000000 ] - [ -0.0006049100000000, 0.0002203200000000, -0.0000252500000000 ] - [ 0.0005647200000000, 0.0001075700000000, -0.0001668000000000 ] - [ 0.0002711900000000, 0.0004644000000000, -0.0000078800000000 ] - [ -0.0108549400000000, -0.0793226500000000, 0.0534246400000000 ] - [ 0.0001190800000000, 0.0011583900000000, -0.0001621200000000 ] - [ -0.0036772200000000, -0.0029346600000000, -0.0004593200000000 ] - [ -0.0002719100000000, -0.0000444900000000, 0.0003117500000000 ] - [ -0.0010332500000000, -0.0006854600000000, -0.0007372700000000 ] - [ 0.0003131000000000, 0.0004618100000000, 0.0002211600000000 ] - [ 0.0046167000000000, -0.0019648800000000, 0.0015416500000000 ] - [ 0.0028628700000000, -0.0015813500000000, -0.0013947300000000 ] - [ 0.0004223800000000, -0.0002369500000000, -0.0000686900000000 ] - [ -0.0001080700000000, -0.0000767300000000, -0.0009935900000000 ] - [ -0.0004053900000000, 0.0003341000000000, -0.0000127000000000 ] - [ 0.0000392600000000, 0.0013506900000000, -0.0006407800000000 ] - [ 0.0000829200000000, 0.0004083100000000, 0.0002762500000000 ] - [ 0.0000862700000000, 0.0004899100000000, 0.0000457400000000 ] - [ 0.0000829500000000, 0.0001162200000000, -0.0000328000000000 ] - [ 0.0002910000000000, 0.0001618300000000, -0.0003556300000000 ] - [ 0.0003784900000000, 0.0006786200000000, 0.0000888600000000 ] - [ -0.0810311200000000, -0.1024008600000000, 0.0093176100000000 ] - [ -0.0019706600000000, -0.0016981700000000, 0.0002077500000000 ] - [ -0.0013552600000000, 0.0015266700000000, -0.0007447600000000 ] - [ -0.0222277600000000, -0.0592813700000000, -0.0233044400000000 ] - [ 0.0016389900000000, -0.0017998600000000, -0.0002145500000000 ] - [ -0.0001411200000000, -0.0026499900000000, -0.0002827000000000 ] - [ 0.0006875100000000, 0.0005385400000000, 0.0003722500000000 ] - [ -0.0001488100000000, 0.0013778300000000, 0.0000822200000000 ] - [ 0.0000224800000000, -0.0004038300000000, -0.0002712900000000 ] - [ 0.0001304500000000, 0.0000049300000000, -0.0004990500000000 ] - [ -0.0003203400000000, 0.0003286800000000, -0.0000568000000000 ] - [ -0.0011572500000000, 0.0006129900000000, 0.0002415700000000 ] - [ -0.0000758200000000, 0.0004139300000000, 0.0004756700000000 ] - [ 0.0000171400000000, 0.0006110000000000, -0.0001484900000000 ] - [ -0.0000481700000000, 0.0001619100000000, 0.0001067200000000 ] - [ 0.0017314600000000, -0.0017638700000000, 0.0004661200000000 ] - [ -0.0027515800000000, 0.0020255300000000, -0.0038690700000000 ] - [ 0.0025998900000000, 0.0023129100000000, 0.0016199200000000 ] - [ -0.0003363700000000, 0.0003388800000000, 0.0006253800000000 ] - [ -0.0002455400000000, 0.0004009700000000, -0.0003813100000000 ] - [ -0.0000377900000000, -0.0011837900000000, 0.0009920600000000 ] - [ 0.0003827300000000, 0.0005023100000000, -0.0003650000000000 ]- atom: 51 displacement: [ -0.0035230240541542, 0.0000000000000000, 0.0093588621911988 ] forces: - [ 0.0001370000000000, 0.0000997400000000, 0.0009634000000000 ] - [ -0.0000938800000000, -0.0001421100000000, -0.0002607200000000 ] - [ 0.0034890500000000, 0.0078185000000000, -0.0014202500000000 ] - [ -0.0057521800000000, -0.0021300500000000, -0.0038570000000000 ] - [ -0.0001066900000000, -0.0004458300000000, 0.0001149100000000 ] - [ -0.0003393500000000, -0.0006310400000000, -0.0002958500000000 ] - [ -0.0000442000000000, -0.0000588500000000, 0.0000744200000000 ] - [ -0.0002583500000000, 0.0001653700000000, 0.0018039400000000 ] - [ -0.0008747700000000, -0.0001408400000000, 0.0017708500000000 ] - [ -0.0000585000000000, -0.0002322900000000, 0.0005173400000000 ] - [ 0.0000261200000000, 0.0008304300000000, 0.0011810500000000 ] - [ -0.0001019100000000, 0.0002835300000000, -0.0008030700000000 ] - [ 0.0005625600000000, -0.0008896100000000, -0.0003265100000000 ] - [ 0.0010262600000000, 0.0022437200000000, -0.0060672800000000 ] - [ 0.0000020500000000, -0.0002687400000000, -0.0002256800000000 ] - [ -0.0003421700000000, -0.0002318000000000, 0.0003890600000000 ] - [ -0.0000606200000000, -0.0004219300000000, 0.0004534000000000 ] - [ -0.0005208500000000, 0.0000114400000000, 0.0006364500000000 ] - [ -0.0004236300000000, -0.0000228300000000, -0.0003876800000000 ] - [ 0.0010162800000000, 0.0004556800000000, 0.0014042800000000 ] - [ 0.0002355400000000, -0.0000799600000000, 0.0001888000000000 ] - [ 0.0002305900000000, -0.0002446900000000, -0.0006133500000000 ] - [ 0.0013782800000000, -0.0010310800000000, -0.0021601500000000 ] - [ 0.0051392300000000, 0.0011128900000000, -0.0030173700000000 ] - [ -0.0002105800000000, 0.0036076900000000, 0.0008670800000000 ] - [ 0.0005454400000000, 0.0025906600000000, -0.0005425400000000 ] - [ -0.0189467900000000, -0.0126669500000000, 0.0083827000000000 ] - [ 0.0009306500000000, -0.0024727900000000, -0.0000943000000000 ] - [ 0.0000663400000000, -0.0002725100000000, -0.0003827700000000 ] - [ 0.0015471300000000, 0.0005845800000000, 0.0277468800000000 ] - [ -0.0000074700000000, -0.0005087000000000, 0.0003980400000000 ] - [ -0.0000590000000000, -0.0005619100000000, 0.0001400800000000 ] - [ -0.0002369500000000, -0.0013260600000000, 0.0018470300000000 ] - [ -0.0003732200000000, -0.0004186600000000, -0.0003678500000000 ] - [ 0.0029122400000000, -0.0030273400000000, 0.0000191000000000 ] - [ -0.0019156200000000, -0.0030244400000000, 0.0000590900000000 ] - [ 0.0011551800000000, 0.0039230300000000, 0.0034990300000000 ] - [ 0.0003584900000000, -0.0007744600000000, 0.0004774900000000 ] - [ -0.0012329300000000, -0.0032769800000000, 0.0017017400000000 ] - [ 0.0000975300000000, -0.0005292100000000, -0.0008960800000000 ] - [ -0.0007316300000000, 0.0010539300000000, 0.0018344300000000 ] - [ -0.0015886300000000, -0.0000297600000000, 0.0417011600000000 ] - [ 0.0004858400000000, 0.0007107600000000, -0.0012932100000000 ] - [ -0.0003263300000000, -0.0010296800000000, -0.0005772500000000 ] - [ 0.0018885800000000, -0.0005253100000000, 0.0040210300000000 ] - [ -0.0022302300000000, 0.0017374100000000, -0.0043759200000000 ] - [ -0.0032056500000000, 0.0004178900000000, 0.0007283800000000 ] - [ -0.0008043400000000, 0.0026791600000000, 0.0003589600000000 ] - [ 0.0001016700000000, -0.0055290200000000, 0.0009400900000000 ] - [ 0.0000704000000000, 0.0007703900000000, 0.0000455000000000 ] - [ 0.0882055700000000, 0.0826685400000000, -0.3852598600000000 ] - [ -0.0005326600000000, 0.0006188200000000, 0.0023240700000000 ] - [ -0.0007419600000000, 0.0006216700000000, 0.0003627900000000 ] - [ -0.0003610300000000, 0.0005278700000000, 0.0000687800000000 ] - [ -0.0000636300000000, -0.0004620200000000, 0.0000011300000000 ] - [ 0.0001777600000000, -0.0017076600000000, -0.0025253100000000 ] - [ 0.0001282900000000, 0.0008592900000000, -0.0001771600000000 ] - [ 0.0003289800000000, -0.0012184300000000, 0.0002142700000000 ] - [ 0.0012852700000000, -0.0039132700000000, 0.0008261700000000 ] - [ 0.0024446600000000, 0.0014739000000000, 0.0010146200000000 ] - [ 0.0001627400000000, 0.0006540300000000, 0.0036904100000000 ] - [ -0.0000362400000000, -0.0000825400000000, -0.0002466800000000 ] - [ -0.0005040500000000, -0.0004439200000000, 0.0001624900000000 ] - [ 0.0052152500000000, 0.0035390400000000, -0.0003337900000000 ] - [ -0.0015024100000000, -0.0004678700000000, -0.0029145100000000 ] - [ -0.0017104800000000, 0.0018743900000000, -0.0038517600000000 ] - [ 0.0005998600000000, -0.0021634800000000, -0.0023843400000000 ] - [ 0.0027231800000000, -0.0008688700000000, 0.0042985400000000 ] - [ -0.0000759800000000, -0.0001065400000000, -0.0004318300000000 ] - [ 0.0002952300000000, -0.0003949400000000, 0.0015902100000000 ] - [ -0.0007988800000000, 0.0000296700000000, -0.0016376100000000 ] - [ 0.0002785000000000, -0.0004194100000000, 0.0000717900000000 ] - [ 0.0006872800000000, -0.0004367300000000, 0.0014987400000000 ] - [ -0.0000343500000000, -0.0000238800000000, 0.0008042500000000 ] - [ 0.0001438100000000, 0.0003053000000000, 0.0016018400000000 ] - [ -0.0001812800000000, -0.0005409700000000, 0.0006967600000000 ] - [ -0.0001903600000000, -0.0008851900000000, -0.0000793600000000 ] - [ -0.0000960800000000, -0.0012030400000000, -0.0000698800000000 ] - [ -0.0037288500000000, 0.0045483000000000, 0.0008864000000000 ] - [ -0.0044434800000000, 0.0026933500000000, 0.0013778000000000 ] - [ 0.0001961400000000, 0.0010590900000000, -0.0000904600000000 ] - [ 0.0004123500000000, 0.0000627400000000, -0.0019202600000000 ] - [ -0.0006171100000000, 0.0002234800000000, -0.0005993200000000 ] - [ -0.0003550800000000, 0.0011558800000000, -0.0002481700000000 ] - [ 0.0031372700000000, -0.0016818800000000, -0.0023589900000000 ] - [ 0.0004495800000000, 0.0003607900000000, -0.0014457400000000 ] - [ 0.0001777900000000, 0.0001014200000000, -0.0003878600000000 ] - [ -0.0004988700000000, 0.0006894100000000, 0.0007263400000000 ] - [ -0.0001787000000000, 0.0000869100000000, -0.0002198100000000 ] - [ 0.0005269300000000, -0.0004257200000000, 0.0001987600000000 ] - [ -0.0005620300000000, 0.0005721400000000, -0.0013359400000000 ] - [ 0.0001764700000000, 0.0015428800000000, 0.0000746100000000 ] - [ 0.0010126900000000, 0.0022139300000000, 0.0020113300000000 ] - [ 0.0019561800000000, -0.0012520800000000, 0.0037362300000000 ] - [ 0.0001726500000000, -0.0005490200000000, -0.0008369800000000 ] - [ -0.0003543300000000, 0.0022826800000000, -0.0002484900000000 ] - [ 0.0024384000000000, -0.0020087100000000, -0.0001670500000000 ] - [ 0.0001008700000000, -0.0005491200000000, 0.0000522700000000 ] - [ -0.0004923300000000, 0.0004734500000000, 0.0016016700000000 ] - [ 0.0011938700000000, 0.0014752700000000, -0.0010221800000000 ] - [ 0.0004755200000000, -0.0006357800000000, -0.0042025700000000 ] - [ 0.0002919600000000, 0.0026187300000000, 0.0006434400000000 ] - [ 0.0000533000000000, -0.0002782300000000, -0.0010961400000000 ] - [ -0.0002970400000000, -0.0013854600000000, 0.0003597400000000 ] - [ -0.0000510100000000, -0.0003486600000000, -0.0002884400000000 ] - [ -0.0004346800000000, 0.0000120700000000, -0.0026408900000000 ] - [ 0.0002436100000000, -0.0004327900000000, 0.0014552100000000 ] - [ 0.0004252700000000, -0.0000058900000000, -0.0013850800000000 ] - [ 0.0010802600000000, -0.0012142500000000, -0.0016536900000000 ] - [ -0.0009302800000000, 0.0015691700000000, 0.0023660400000000 ] - [ -0.0001040400000000, 0.0001502400000000, -0.0002353100000000 ] - [ 0.0003110500000000, 0.0003591600000000, 0.0004790200000000 ] - [ -0.0003159400000000, 0.0009033700000000, -0.0017946600000000 ] - [ -0.0008047400000000, 0.0040927000000000, -0.0002689500000000 ] - [ 0.0001232400000000, -0.0003336000000000, -0.0035613700000000 ] - [ 0.0001556500000000, 0.0002930500000000, 0.0002529300000000 ] - [ -0.0007156100000000, -0.0004818400000000, -0.0013840300000000 ] - [ 0.0001572100000000, 0.0009984800000000, 0.0002441200000000 ] - [ -0.0000254800000000, -0.0002436000000000, -0.0000337600000000 ] - [ -0.0020133600000000, -0.0004718800000000, -0.0020295500000000 ] - [ 0.0029373500000000, -0.0039497800000000, -0.0030980400000000 ] - [ 0.0000170200000000, 0.0005781400000000, 0.0000959200000000 ] - [ -0.0000462000000000, 0.0007067200000000, -0.0000933600000000 ] - [ 0.0000661800000000, 0.0011742100000000, 0.0000412800000000 ] - [ -0.0001022100000000, 0.0000652900000000, -0.0001292800000000 ] - [ -0.0011603000000000, -0.0024771900000000, -0.0079640100000000 ] - [ -0.0001269400000000, 0.0005658700000000, -0.0004868500000000 ] - [ -0.0000227100000000, 0.0000775600000000, 0.0016147800000000 ] - [ 0.0007199200000000, 0.0006015000000000, -0.0004330300000000 ] - [ 0.0002755300000000, 0.0000304400000000, -0.0001238500000000 ] - [ -0.0003237000000000, 0.0001339100000000, -0.0005401500000000 ] - [ 0.0006841400000000, 0.0005036200000000, 0.0008438700000000 ] - [ 0.0007448800000000, 0.0004086600000000, -0.0001828400000000 ] - [ -0.0011369400000000, -0.0028343500000000, -0.0006018200000000 ] - [ -0.0000750100000000, -0.0004444100000000, 0.0000449500000000 ] - [ -0.0010406200000000, -0.0011809800000000, -0.0001219000000000 ] - [ 0.0001652100000000, 0.0004984700000000, -0.0000211800000000 ] - [ -0.0451255200000000, -0.0568729100000000, 0.1715704300000000 ] - [ 0.0001880800000000, 0.0011293000000000, -0.0001657700000000 ] - [ -0.0076899100000000, -0.0054640300000000, -0.0037833600000000 ] - [ -0.0004067500000000, -0.0006777100000000, 0.0003128500000000 ] - [ -0.0023374300000000, -0.0007993600000000, -0.0026539800000000 ] - [ 0.0002120200000000, 0.0001593800000000, 0.0002870700000000 ] - [ 0.0033863300000000, -0.0013930100000000, 0.0025068000000000 ] - [ 0.0065789100000000, -0.0023826000000000, -0.0030006200000000 ] - [ 0.0003951100000000, 0.0001410300000000, 0.0012113300000000 ] - [ -0.0003254500000000, 0.0007453900000000, -0.0033491200000000 ] - [ -0.0003149900000000, 0.0004878700000000, -0.0000289700000000 ] - [ 0.0009746700000000, 0.0041518900000000, -0.0021176600000000 ] - [ 0.0001654500000000, 0.0003457800000000, 0.0005525800000000 ] - [ 0.0000920200000000, 0.0004555500000000, 0.0002992400000000 ] - [ -0.0000213000000000, 0.0001863500000000, -0.0009553900000000 ] - [ 0.0003084000000000, 0.0000393200000000, -0.0000424300000000 ] - [ 0.0001306200000000, 0.0001334000000000, -0.0001016900000000 ] - [ -0.0817794700000000, -0.0393799800000000, 0.0540812200000000 ] - [ -0.0018306100000000, 0.0028047200000000, -0.0023549600000000 ] - [ -0.0030147000000000, 0.0051079600000000, -0.0032357600000000 ] - [ 0.0492461400000000, 0.0165729100000000, 0.1225539900000000 ] - [ 0.0003804000000000, -0.0012685200000000, 0.0016608500000000 ] - [ 0.0016051000000000, -0.0045743000000000, -0.0025974000000000 ] - [ 0.0002256600000000, -0.0004427100000000, 0.0020813100000000 ] - [ -0.0002813600000000, 0.0018990600000000, 0.0003114000000000 ] - [ -0.0021260000000000, -0.0028220200000000, -0.0021578900000000 ] - [ 0.0004273200000000, -0.0005299300000000, -0.0021597000000000 ] - [ 0.0001285200000000, 0.0001428100000000, -0.0007558800000000 ] - [ -0.0012160000000000, 0.0016077200000000, 0.0021497700000000 ] - [ -0.0001062300000000, 0.0002485700000000, 0.0009741000000000 ] - [ 0.0002652900000000, -0.0001559800000000, -0.0000725900000000 ] - [ 0.0000455900000000, -0.0004904100000000, 0.0000252900000000 ] - [ 0.0036460100000000, -0.0027684900000000, 0.0007458900000000 ] - [ -0.0004982500000000, 0.0038499800000000, -0.0032778600000000 ] - [ 0.0027478900000000, 0.0026697100000000, 0.0022849300000000 ] - [ -0.0003902900000000, -0.0009019100000000, 0.0000338900000000 ] - [ -0.0002799300000000, 0.0003733900000000, -0.0007655500000000 ] - [ -0.0019190000000000, -0.0014080600000000, 0.0011949400000000 ] - [ 0.0001896700000000, 0.0003968100000000, -0.0007316400000000 ]- atom: 51 displacement: [ 0.0035230240541542, 0.0000000000000000, -0.0093588621911988 ] forces: - [ 0.0000509400000000, -0.0003149900000000, -0.0007782000000000 ] - [ -0.0000343300000000, 0.0005847700000000, 0.0002070700000000 ] - [ -0.0028892900000000, -0.0078817500000000, 0.0013027100000000 ] - [ 0.0058688300000000, 0.0014820100000000, 0.0041541900000000 ] - [ 0.0000143500000000, -0.0002187100000000, -0.0003952800000000 ] - [ 0.0001509100000000, 0.0004197100000000, 0.0001103400000000 ] - [ -0.0001453700000000, 0.0002735400000000, -0.0002604300000000 ] - [ 0.0011238800000000, 0.0001675700000000, -0.0015882300000000 ] - [ 0.0009310600000000, 0.0000371300000000, -0.0018851200000000 ] - [ -0.0000000800000000, 0.0003364800000000, -0.0004049900000000 ] - [ 0.0000677500000000, -0.0001649000000000, -0.0009017900000000 ] - [ 0.0002300000000000, -0.0007252100000000, 0.0008589100000000 ] - [ 0.0003049200000000, 0.0005553300000000, 0.0005447600000000 ] - [ -0.0009670900000000, -0.0021762000000000, 0.0059464500000000 ] - [ -0.0000609600000000, 0.0001658700000000, 0.0003402500000000 ] - [ -0.0002755400000000, 0.0002227800000000, -0.0002442000000000 ] - [ -0.0000678600000000, -0.0000183600000000, -0.0005099100000000 ] - [ -0.0003466700000000, -0.0003485700000000, -0.0008556600000000 ] - [ -0.0004443700000000, 0.0003591100000000, 0.0001702400000000 ] - [ -0.0008875900000000, -0.0000140300000000, -0.0013527400000000 ] - [ 0.0003824700000000, 0.0000909400000000, -0.0003348200000000 ] - [ -0.0003239500000000, 0.0009129000000000, 0.0003344800000000 ] - [ -0.0020061400000000, 0.0010411500000000, 0.0023114100000000 ] - [ -0.0049398000000000, -0.0009052400000000, 0.0032339000000000 ] - [ 0.0007303300000000, -0.0039115000000000, 0.0000536000000000 ] - [ -0.0004758700000000, -0.0030724000000000, 0.0008321600000000 ] - [ 0.0185367600000000, 0.0116033600000000, -0.0077485400000000 ] - [ -0.0014538100000000, 0.0021587400000000, -0.0008296400000000 ] - [ -0.0001357400000000, 0.0007471900000000, 0.0000953900000000 ] - [ -0.0012616400000000, -0.0002726400000000, -0.0285257700000000 ] - [ -0.0001790900000000, 0.0008255800000000, 0.0004732600000000 ] - [ 0.0001765300000000, 0.0009403400000000, -0.0000535000000000 ] - [ -0.0001366600000000, 0.0023553100000000, -0.0011845700000000 ] - [ -0.0001511500000000, 0.0007407200000000, -0.0005510900000000 ] - [ -0.0030309200000000, 0.0026568300000000, -0.0001070800000000 ] - [ 0.0021018200000000, 0.0027161800000000, -0.0009327300000000 ] - [ -0.0007579300000000, -0.0037451200000000, -0.0036022500000000 ] - [ 0.0000133700000000, -0.0002493100000000, -0.0011423100000000 ] - [ 0.0011578300000000, 0.0028096900000000, -0.0020030800000000 ] - [ 0.0003005200000000, 0.0003500000000000, 0.0008108400000000 ] - [ 0.0005989800000000, -0.0006903000000000, -0.0019225200000000 ] - [ 0.0021275800000000, 0.0004385800000000, -0.0410981100000000 ] - [ -0.0003700800000000, -0.0010879800000000, 0.0013877500000000 ] - [ -0.0000717300000000, 0.0012173800000000, 0.0006643000000000 ] - [ -0.0022836200000000, 0.0003449100000000, -0.0039492100000000 ] - [ 0.0026139500000000, -0.0007178500000000, 0.0037322900000000 ] - [ 0.0032883400000000, 0.0000563800000000, -0.0004378700000000 ] - [ 0.0006203700000000, -0.0030053500000000, 0.0005157200000000 ] - [ -0.0004164700000000, 0.0050556400000000, -0.0009922000000000 ] - [ 0.0000012000000000, -0.0003728600000000, 0.0001232500000000 ] - [ -0.0913370100000000, -0.0882637500000000, 0.3970566400000000 ] - [ 0.0008282300000000, -0.0007541000000000, -0.0017862300000000 ] - [ 0.0011704100000000, 0.0000346500000000, -0.0006060100000000 ] - [ -0.0000610200000000, 0.0001361800000000, 0.0001698800000000 ] - [ 0.0003810600000000, -0.0000132800000000, 0.0000532900000000 ] - [ 0.0001219200000000, 0.0009281600000000, 0.0020713200000000 ] - [ -0.0000963200000000, -0.0002488200000000, -0.0000388700000000 ] - [ 0.0000910500000000, 0.0005580000000000, -0.0004537700000000 ] - [ -0.0013429000000000, 0.0043067600000000, -0.0009968200000000 ] - [ -0.0024815800000000, -0.0021055800000000, -0.0008085500000000 ] - [ -0.0004502400000000, -0.0005242000000000, -0.0042359400000000 ] - [ 0.0003303800000000, 0.0002158700000000, 0.0007915500000000 ] - [ 0.0004751000000000, 0.0010590600000000, 0.0000538000000000 ] - [ -0.0056645300000000, -0.0042211800000000, 0.0005758800000000 ] - [ 0.0012134800000000, 0.0003379800000000, 0.0023761900000000 ] - [ 0.0019748400000000, -0.0021481400000000, 0.0037238200000000 ] - [ -0.0008558700000000, 0.0024355400000000, 0.0025392200000000 ] - [ -0.0024183600000000, 0.0016462300000000, -0.0047570900000000 ] - [ -0.0002256200000000, 0.0008896200000000, 0.0008898700000000 ] - [ -0.0000419200000000, 0.0006556700000000, -0.0017346700000000 ] - [ 0.0003504600000000, -0.0000956900000000, 0.0023391400000000 ] - [ 0.0000377800000000, 0.0008987300000000, -0.0000178800000000 ] - [ -0.0009896400000000, -0.0003438500000000, -0.0010468400000000 ] - [ -0.0004171100000000, 0.0000929700000000, -0.0001123000000000 ] - [ 0.0003059600000000, -0.0003743000000000, -0.0022961100000000 ] - [ -0.0000717900000000, 0.0002834200000000, -0.0005573900000000 ] - [ 0.0001192000000000, 0.0004908400000000, -0.0000893600000000 ] - [ 0.0001284100000000, 0.0005942500000000, -0.0001467400000000 ] - [ 0.0038206500000000, -0.0049629300000000, -0.0007224700000000 ] - [ 0.0040793800000000, -0.0022300800000000, -0.0014272500000000 ] - [ 0.0002791400000000, -0.0002597200000000, 0.0001566100000000 ] - [ -0.0005438300000000, -0.0000798600000000, 0.0027600000000000 ] - [ 0.0000637300000000, -0.0003973800000000, 0.0010734600000000 ] - [ 0.0000828800000000, -0.0003824500000000, 0.0000068300000000 ] - [ -0.0030494000000000, 0.0015857700000000, 0.0030300900000000 ] - [ 0.0000370400000000, -0.0002904800000000, 0.0016615300000000 ] - [ 0.0003102100000000, -0.0002092700000000, 0.0001354600000000 ] - [ -0.0000588400000000, -0.0006061800000000, -0.0009343100000000 ] - [ -0.0002138100000000, -0.0001569000000000, 0.0006332100000000 ] - [ -0.0000523600000000, -0.0003757900000000, -0.0001342700000000 ] - [ 0.0007915000000000, -0.0004354300000000, 0.0016215800000000 ] - [ -0.0004535200000000, -0.0004610100000000, 0.0002738000000000 ] - [ -0.0014960500000000, -0.0017092500000000, -0.0011792800000000 ] - [ -0.0013981900000000, 0.0012328100000000, -0.0031778500000000 ] - [ -0.0003237400000000, -0.0006285800000000, 0.0011770700000000 ] - [ 0.0005709100000000, -0.0034064900000000, -0.0001173800000000 ] - [ -0.0021518000000000, 0.0027865800000000, 0.0004100300000000 ] - [ 0.0000514100000000, -0.0006339900000000, -0.0003893200000000 ] - [ 0.0001008400000000, -0.0004082400000000, -0.0011910200000000 ] - [ -0.0015963800000000, -0.0006237400000000, 0.0009809600000000 ] - [ -0.0003470100000000, 0.0006541100000000, 0.0033736300000000 ] - [ -0.0008635300000000, -0.0026061600000000, -0.0012163400000000 ] - [ 0.0005161000000000, 0.0003060000000000, 0.0016706600000000 ] - [ 0.0000744800000000, 0.0002564200000000, 0.0000087900000000 ] - [ 0.0003227900000000, -0.0007360200000000, -0.0000593700000000 ] - [ 0.0001875400000000, 0.0000832000000000, 0.0028388700000000 ] - [ -0.0007305600000000, 0.0005043400000000, -0.0016778000000000 ] - [ 0.0000556300000000, 0.0005182000000000, 0.0005522200000000 ] - [ -0.0008443700000000, 0.0011280700000000, 0.0014646600000000 ] - [ 0.0006012000000000, -0.0010331400000000, -0.0017891100000000 ] - [ -0.0002291900000000, -0.0006956600000000, 0.0008240000000000 ] - [ 0.0002531400000000, -0.0004485300000000, -0.0002721700000000 ] - [ 0.0006475600000000, -0.0003639500000000, 0.0012122300000000 ] - [ 0.0008742700000000, -0.0039749900000000, 0.0009331700000000 ] - [ -0.0005997100000000, -0.0001756400000000, 0.0043965100000000 ] - [ 0.0000811100000000, -0.0002049900000000, -0.0004474600000000 ] - [ 0.0012812500000000, 0.0005712200000000, 0.0015957000000000 ] - [ 0.0001660200000000, -0.0008660200000000, 0.0000883500000000 ] - [ -0.0002474300000000, -0.0005331000000000, -0.0002092400000000 ] - [ 0.0023525800000000, 0.0003375700000000, 0.0023851600000000 ] - [ -0.0033926600000000, 0.0047324700000000, 0.0030070400000000 ] - [ -0.0002939800000000, -0.0008194200000000, 0.0002349500000000 ] - [ -0.0002793100000000, -0.0008487400000000, -0.0002393700000000 ] - [ 0.0001532200000000, -0.0008462500000000, 0.0000760900000000 ] - [ -0.0002862700000000, -0.0009335200000000, 0.0000704600000000 ] - [ 0.0009308100000000, 0.0023279800000000, 0.0076572800000000 ] - [ 0.0000573400000000, -0.0006889100000000, -0.0001753600000000 ] - [ -0.0002089300000000, 0.0000574300000000, -0.0018970500000000 ] - [ 0.0002209900000000, -0.0004582200000000, 0.0005591800000000 ] - [ 0.0006895300000000, 0.0005559400000000, -0.0000084200000000 ] - [ -0.0001629000000000, -0.0002063500000000, 0.0003255000000000 ] - [ -0.0009235300000000, -0.0005949400000000, -0.0006515100000000 ] - [ -0.0009648700000000, -0.0007434600000000, 0.0000684500000000 ] - [ 0.0012935600000000, 0.0040288600000000, 0.0002655700000000 ] - [ -0.0008648000000000, 0.0005852700000000, -0.0001675100000000 ] - [ 0.0013216100000000, 0.0022740200000000, -0.0002266800000000 ] - [ 0.0007809400000000, -0.0006452600000000, 0.0001441900000000 ] - [ 0.0478725600000000, 0.0634264700000000, -0.1855012100000000 ] - [ 0.0000305100000000, -0.0000026600000000, -0.0002025700000000 ] - [ 0.0067805200000000, 0.0053421500000000, 0.0036976400000000 ] - [ 0.0001313000000000, -0.0004076100000000, 0.0000341500000000 ] - [ 0.0017728200000000, 0.0007131700000000, 0.0024527300000000 ] - [ -0.0002820200000000, -0.0000377800000000, -0.0009536100000000 ] - [ -0.0039586700000000, 0.0015776100000000, -0.0020428200000000 ] - [ -0.0068156500000000, 0.0035165300000000, 0.0033944900000000 ] - [ 0.0000913900000000, -0.0000372700000000, -0.0014700000000000 ] - [ 0.0000932500000000, -0.0008774100000000, 0.0037768400000000 ] - [ -0.0006502600000000, -0.0010772200000000, 0.0001614700000000 ] - [ -0.0014460100000000, -0.0049571600000000, 0.0020536400000000 ] - [ 0.0000632200000000, -0.0004845900000000, -0.0002722000000000 ] - [ 0.0001402400000000, -0.0005905800000000, -0.0007258000000000 ] - [ 0.0002538800000000, -0.0000535200000000, 0.0005314600000000 ] - [ 0.0001733100000000, -0.0005515600000000, -0.0007930000000000 ] - [ 0.0002601400000000, 0.0007342700000000, 0.0001601400000000 ] - [ 0.0794927200000000, 0.0378530400000000, -0.0544261200000000 ] - [ 0.0015448200000000, -0.0025694400000000, 0.0026950900000000 ] - [ 0.0032822400000000, -0.0058944100000000, 0.0034831100000000 ] - [ -0.0457995000000000, -0.0161256200000000, -0.1205930000000000 ] - [ -0.0000492500000000, 0.0007363600000000, -0.0022517100000000 ] - [ -0.0013360300000000, 0.0043520800000000, 0.0022843500000000 ] - [ -0.0000939300000000, 0.0004255500000000, -0.0029205300000000 ] - [ 0.0001305100000000, -0.0007202700000000, 0.0000250200000000 ] - [ 0.0019024200000000, 0.0031642900000000, 0.0020558000000000 ] - [ -0.0000334900000000, 0.0005954400000000, 0.0017423600000000 ] - [ -0.0006131200000000, -0.0000386900000000, 0.0010081600000000 ] - [ 0.0009831300000000, -0.0014733200000000, -0.0017241500000000 ] - [ -0.0000248400000000, -0.0002310900000000, -0.0001444600000000 ] - [ 0.0000105800000000, 0.0003929000000000, -0.0002580300000000 ] - [ 0.0001730500000000, 0.0001597000000000, 0.0000910200000000 ] - [ -0.0026967100000000, 0.0021912200000000, -0.0008831000000000 ] - [ -0.0004613300000000, -0.0032482100000000, 0.0034103500000000 ] - [ -0.0022059000000000, -0.0028545400000000, -0.0027680700000000 ] - [ 0.0000669800000000, 0.0010421300000000, -0.0003677800000000 ] - [ -0.0002905000000000, -0.0004014700000000, 0.0001922900000000 ] - [ 0.0023165100000000, 0.0005443500000000, -0.0011427000000000 ] - [ 0.0003654200000000, -0.0002220200000000, 0.0002604700000000 ]- atom: 52 displacement: [ 0.0099999639143206, 0.0000000000000000, -0.0000268647033593 ] forces: - [ 0.0001042800000000, -0.0005840200000000, 0.0001695200000000 ] - [ 0.0001638300000000, 0.0002506000000000, -0.0000189300000000 ] - [ 0.0003712200000000, 0.0002888400000000, -0.0009239600000000 ] - [ -0.0000659200000000, -0.0004907900000000, 0.0000499600000000 ] - [ -0.0040410000000000, -0.0014297600000000, -0.0008664100000000 ] - [ -0.0000525700000000, 0.0001607300000000, 0.0002447000000000 ] - [ 0.0005700100000000, 0.0001377800000000, -0.0000057100000000 ] - [ -0.0030228600000000, -0.0013442200000000, 0.0029376700000000 ] - [ -0.0005220100000000, -0.0008087800000000, -0.0000662000000000 ] - [ 0.0058286300000000, -0.0041809500000000, -0.0039689500000000 ] - [ -0.0000075900000000, 0.0001492700000000, 0.0001400000000000 ] - [ 0.0000657900000000, -0.0004345500000000, 0.0000907800000000 ] - [ 0.0004302900000000, -0.0003710300000000, 0.0000898000000000 ] - [ 0.0000301800000000, -0.0001591300000000, -0.0000999000000000 ] - [ -0.0002882000000000, -0.0002034400000000, 0.0003829200000000 ] - [ -0.0002798800000000, -0.0004511000000000, 0.0001322400000000 ] - [ 0.0052121900000000, 0.0049132800000000, 0.0060496200000000 ] - [ 0.0055672000000000, 0.0043500100000000, 0.0017551700000000 ] - [ -0.0004214300000000, -0.0000110900000000, -0.0000800800000000 ] - [ 0.0006708500000000, -0.0001280000000000, -0.0000493400000000 ] - [ 0.0000883600000000, -0.0004019100000000, -0.0001776900000000 ] - [ -0.0001624800000000, 0.0004432300000000, -0.0003365400000000 ] - [ -0.0002546400000000, 0.0002328300000000, 0.0002271600000000 ] - [ 0.0002745200000000, -0.0000619000000000, -0.0000455800000000 ] - [ 0.0000810000000000, -0.0009356500000000, 0.0005401600000000 ] - [ 0.0001923800000000, -0.0009508000000000, 0.0001449100000000 ] - [ -0.0004504900000000, 0.0003380800000000, 0.0006877000000000 ] - [ 0.0013570000000000, 0.0007671200000000, -0.0004454200000000 ] - [ -0.0009124200000000, 0.0006957000000000, -0.0000310000000000 ] - [ 0.0000062200000000, 0.0006176200000000, -0.0005103500000000 ] - [ 0.0000715200000000, -0.0005169300000000, -0.0005457300000000 ] - [ -0.0001925200000000, 0.0003439400000000, 0.0004297800000000 ] - [ -0.0002373700000000, -0.0002693900000000, 0.0003739400000000 ] - [ 0.0005828100000000, -0.0026051300000000, 0.0010560200000000 ] - [ 0.0002827300000000, -0.0010089000000000, -0.0001924100000000 ] - [ -0.0001572600000000, -0.0011087500000000, -0.0005188000000000 ] - [ 0.0235459700000000, -0.0111822400000000, -0.0107334000000000 ] - [ 0.0007141200000000, -0.0013018400000000, -0.0005749700000000 ] - [ -0.0012997800000000, 0.0006463100000000, -0.0046166900000000 ] - [ 0.0001331500000000, -0.0007049300000000, -0.0000578100000000 ] - [ 0.0002765600000000, -0.0006648900000000, 0.0015269700000000 ] - [ 0.0003095700000000, -0.0020221800000000, -0.0018407000000000 ] - [ 0.0044217200000000, 0.0016913300000000, -0.0006823800000000 ] - [ -0.0001182000000000, -0.0007622500000000, 0.0001976100000000 ] - [ 0.0031457700000000, 0.0000783700000000, 0.0019112900000000 ] - [ 0.0009614800000000, 0.0025061200000000, 0.0008326200000000 ] - [ -0.0003378600000000, 0.0007311600000000, 0.0002306500000000 ] - [ -0.0226738600000000, 0.0103142200000000, 0.0059765500000000 ] - [ -0.0000618600000000, -0.0011315300000000, -0.0000066400000000 ] - [ 0.0000675100000000, -0.0003524800000000, 0.0000608400000000 ] - [ 0.0003134600000000, 0.0002773800000000, -0.0010455100000000 ] - [ -0.3801992600000000, 0.1149894200000000, -0.0344707900000000 ] - [ -0.0000582800000000, 0.0015415500000000, 0.0014045200000000 ] - [ -0.0001748100000000, -0.0000264500000000, 0.0002257000000000 ] - [ 0.0039656600000000, -0.0003135600000000, 0.0012782300000000 ] - [ 0.0003425600000000, -0.0007069300000000, -0.0003974100000000 ] - [ -0.0010888800000000, 0.0061812000000000, -0.0015811900000000 ] - [ 0.0006808500000000, -0.0008783600000000, -0.0000156500000000 ] - [ 0.0001592000000000, 0.0016262700000000, -0.0005672500000000 ] - [ 0.0002606300000000, -0.0007143300000000, 0.0001318200000000 ] - [ -0.0008028100000000, 0.0008147200000000, -0.0007503600000000 ] - [ -0.0000125800000000, -0.0000237800000000, 0.0001193100000000 ] - [ -0.0000491300000000, -0.0001334600000000, 0.0001137300000000 ] - [ 0.0022109100000000, -0.0004961300000000, -0.0004142200000000 ] - [ -0.0003876400000000, -0.0002578500000000, -0.0002063800000000 ] - [ 0.0001010400000000, 0.0000988600000000, 0.0001792300000000 ] - [ -0.0000628500000000, 0.0002386600000000, -0.0001662200000000 ] - [ 0.0009153700000000, -0.0014478900000000, 0.0023043800000000 ] - [ 0.0002206900000000, 0.0002908500000000, 0.0005643200000000 ] - [ -0.0000073200000000, -0.0003407000000000, 0.0000960400000000 ] - [ 0.0003534600000000, 0.0003773800000000, 0.0008801200000000 ] - [ 0.0013236700000000, 0.0004099800000000, -0.0000798000000000 ] - [ 0.0052609300000000, 0.0033894200000000, 0.0003491000000000 ] - [ 0.0008408800000000, -0.0011101100000000, -0.0006969000000000 ] - [ 0.0003727500000000, -0.0003191800000000, -0.0004867200000000 ] - [ -0.0002516100000000, -0.0000376000000000, -0.0004529500000000 ] - [ -0.0002300100000000, -0.0011353900000000, -0.0000708300000000 ] - [ -0.0003733200000000, -0.0005677800000000, -0.0002143100000000 ] - [ -0.0065361000000000, -0.0007523400000000, -0.0008576600000000 ] - [ -0.0004632900000000, -0.0003040600000000, -0.0000101400000000 ] - [ -0.0007609300000000, 0.0005862500000000, 0.0007851300000000 ] - [ 0.0539159000000000, -0.0028954600000000, -0.0081101300000000 ] - [ -0.0002551900000000, 0.0003260100000000, 0.0001862000000000 ] - [ -0.0009694900000000, -0.0002700700000000, -0.0005094500000000 ] - [ 0.0002810400000000, 0.0002712100000000, -0.0003511600000000 ] - [ 0.0003147800000000, 0.0003702600000000, 0.0001451100000000 ] - [ -0.0009108800000000, 0.0008051500000000, 0.0003781600000000 ] - [ -0.0004256000000000, 0.0003878500000000, -0.0001359300000000 ] - [ -0.0008448500000000, 0.0017537800000000, 0.0004364200000000 ] - [ -0.0016198100000000, 0.0009026300000000, -0.0039992700000000 ] - [ -0.0034432300000000, -0.0012991200000000, -0.0006084900000000 ] - [ 0.0005347600000000, 0.0007006100000000, 0.0004166200000000 ] - [ -0.0001296400000000, 0.0005024200000000, 0.0004793400000000 ] - [ 0.0002807200000000, -0.0003836200000000, 0.0001306400000000 ] - [ -0.0005306000000000, -0.0008180700000000, -0.0013487100000000 ] - [ -0.0003875400000000, -0.0015259900000000, 0.0003228500000000 ] - [ 0.0003523400000000, 0.0008966700000000, -0.0000164600000000 ] - [ 0.0000870400000000, -0.0002534700000000, -0.0002373900000000 ] - [ -0.0004326700000000, -0.0000870200000000, -0.0005386600000000 ] - [ 0.0010291100000000, -0.0006723300000000, -0.0003287200000000 ] - [ 0.0002791400000000, -0.0006001200000000, -0.0002896000000000 ] - [ 0.0002409300000000, -0.0003341900000000, 0.0001619300000000 ] - [ 0.0002772400000000, 0.0003743700000000, 0.0002600900000000 ] - [ -0.0000946000000000, -0.0001239900000000, 0.0001786800000000 ] - [ 0.0000070500000000, -0.0002443900000000, -0.0001354700000000 ] - [ -0.0007674000000000, -0.0008513600000000, 0.0005543200000000 ] - [ -0.0004460900000000, 0.0000405000000000, -0.0029481700000000 ] - [ 0.1639529000000000, -0.0458405100000000, 0.0850595600000000 ] - [ 0.1601833300000000, -0.0696755600000000, -0.0420819600000000 ] - [ -0.0006488300000000, -0.0000724700000000, 0.0006294600000000 ] - [ 0.0005088200000000, -0.0011065300000000, 0.0004233200000000 ] - [ 0.0000510400000000, 0.0002075100000000, -0.0000124000000000 ] - [ 0.0001238200000000, 0.0007192900000000, -0.0004313900000000 ] - [ -0.0000856300000000, 0.0008600200000000, 0.0002174400000000 ] - [ 0.0006837500000000, -0.0001166200000000, 0.0005485800000000 ] - [ 0.0002423100000000, 0.0002566400000000, -0.0000224100000000 ] - [ -0.0070711800000000, -0.0020687300000000, -0.0017934100000000 ] - [ 0.0001655000000000, 0.0005706600000000, 0.0002022000000000 ] - [ -0.0021046000000000, -0.0001296700000000, -0.0000690100000000 ] - [ -0.0002887900000000, 0.0003278500000000, -0.0000753800000000 ] - [ -0.0000088800000000, 0.0006815600000000, -0.0000154500000000 ] - [ -0.0001021700000000, 0.0005401000000000, 0.0000394600000000 ] - [ 0.0000719900000000, 0.0002282000000000, -0.0000859500000000 ] - [ 0.0003479100000000, 0.0004680000000000, 0.0003695300000000 ] - [ -0.0003571400000000, -0.0003141200000000, -0.0000366000000000 ] - [ -0.0014612500000000, 0.0041907400000000, 0.0003863600000000 ] - [ -0.0003126500000000, -0.0000108700000000, -0.0002939000000000 ] - [ -0.0001600200000000, 0.0003752200000000, -0.0001304800000000 ] - [ -0.0003301600000000, -0.0005795300000000, -0.0006767200000000 ] - [ 0.0004652200000000, 0.0007080800000000, 0.0000225100000000 ] - [ -0.0005024800000000, 0.0009785300000000, 0.0007935800000000 ] - [ 0.0001018200000000, 0.0002833300000000, 0.0000147200000000 ] - [ -0.0000157400000000, 0.0001680800000000, -0.0000256700000000 ] - [ -0.0036131300000000, -0.0005168500000000, 0.0012308200000000 ] - [ -0.0005658600000000, 0.0004216300000000, -0.0001220200000000 ] - [ -0.0001442500000000, 0.0010102400000000, -0.0003258300000000 ] - [ -0.0002202000000000, 0.0005769700000000, -0.0001575100000000 ] - [ 0.0000585600000000, 0.0000997000000000, 0.0008740800000000 ] - [ 0.0007678500000000, 0.0014120900000000, -0.0005317300000000 ] - [ -0.0021599700000000, 0.0006281000000000, 0.0013529600000000 ] - [ -0.0002801000000000, -0.0023866700000000, 0.0002555900000000 ] - [ -0.0021129000000000, 0.0012642100000000, -0.0018479700000000 ] - [ -0.0022939800000000, -0.0010493500000000, -0.0018653800000000 ] - [ -0.0003287200000000, -0.0002043300000000, -0.0001142800000000 ] - [ 0.0017331600000000, 0.0008149600000000, 0.0003884600000000 ] - [ -0.0000024900000000, -0.0005333700000000, -0.0004545800000000 ] - [ -0.0000466600000000, 0.0012349900000000, -0.0016060300000000 ] - [ -0.0001431100000000, 0.0002235600000000, 0.0001118000000000 ] - [ -0.0001164000000000, 0.0004029800000000, 0.0001101400000000 ] - [ -0.0000576900000000, 0.0004593100000000, -0.0004318400000000 ] - [ 0.0000560800000000, -0.0000365600000000, -0.0004680600000000 ] - [ -0.0029006000000000, -0.0014638700000000, 0.0006019700000000 ] - [ 0.0002831000000000, -0.0001279500000000, -0.0002268300000000 ] - [ 0.0001990500000000, 0.0007563400000000, 0.0000592700000000 ] - [ -0.0004659700000000, -0.0003045500000000, 0.0004392200000000 ] - [ -0.0007572400000000, -0.0005627000000000, 0.0000611500000000 ] - [ -0.0001293400000000, 0.0005502300000000, 0.0002675300000000 ] - [ 0.0003356700000000, -0.0001041100000000, 0.0004495900000000 ] - [ 0.0001603500000000, -0.0003149600000000, -0.0007252700000000 ] - [ 0.0037920400000000, 0.0019257800000000, 0.0066408900000000 ] - [ 0.0001006200000000, 0.0001926600000000, -0.0004804200000000 ] - [ -0.0002108300000000, 0.0012241000000000, 0.0001384400000000 ] - [ -0.0002958000000000, 0.0004362900000000, -0.0000404200000000 ] - [ 0.0002323300000000, 0.0003812800000000, -0.0001573900000000 ] - [ -0.0003612000000000, 0.0004510700000000, 0.0002045400000000 ] - [ -0.0002078500000000, 0.0003869200000000, 0.0003913600000000 ] - [ 0.0000507300000000, -0.0000002300000000, 0.0005683000000000 ] - [ 0.0001263700000000, 0.0005855000000000, -0.0000878900000000 ] - [ 0.0040441500000000, -0.0014631000000000, 0.0006245500000000 ] - [ 0.0032410700000000, -0.0035200600000000, -0.0016818400000000 ] - [ -0.0000058200000000, -0.0006844300000000, 0.0002440800000000 ] - [ -0.0000849700000000, -0.0005214200000000, -0.0002762700000000 ] - [ -0.0023573800000000, -0.0046274200000000, 0.0049437500000000 ] - [ 0.0004038600000000, 0.0002358600000000, -0.0002960000000000 ] - [ -0.0015178600000000, -0.0004305900000000, 0.0002428600000000 ] - [ 0.0001741000000000, 0.0002222600000000, -0.0001428300000000 ]- atom: 52 displacement: [ -0.0099999639143206, 0.0000000000000000, 0.0000268647033593 ] forces: - [ 0.0000863200000000, 0.0003658800000000, 0.0000165600000000 ] - [ -0.0002954200000000, 0.0001925300000000, -0.0000333700000000 ] - [ 0.0002436100000000, -0.0002973400000000, 0.0007825000000000 ] - [ 0.0001575600000000, -0.0001762900000000, 0.0002277500000000 ] - [ 0.0039497200000000, 0.0007968900000000, 0.0005778900000000 ] - [ -0.0001341300000000, -0.0003795900000000, -0.0004312900000000 ] - [ -0.0007608900000000, 0.0000755000000000, -0.0001792200000000 ] - [ 0.0039131900000000, 0.0016530500000000, -0.0027065200000000 ] - [ 0.0005815600000000, 0.0006984800000000, -0.0000514900000000 ] - [ -0.0058436600000000, 0.0042242600000000, 0.0040464700000000 ] - [ 0.0000988500000000, 0.0005188500000000, 0.0001368600000000 ] - [ 0.0000654600000000, -0.0000085100000000, -0.0000359300000000 ] - [ 0.0004398200000000, 0.0000316700000000, 0.0001311500000000 ] - [ 0.0000298300000000, 0.0002685200000000, -0.0000168000000000 ] - [ 0.0002294800000000, 0.0000937300000000, -0.0002666000000000 ] - [ -0.0003373300000000, 0.0004413700000000, 0.0000124200000000 ] - [ -0.0054177000000000, -0.0054283400000000, -0.0061942300000000 ] - [ -0.0063857800000000, -0.0046456300000000, -0.0019436600000000 ] - [ -0.0004487000000000, 0.0003505400000000, -0.0001407700000000 ] - [ -0.0005383100000000, 0.0005720800000000, 0.0001044200000000 ] - [ 0.0005289000000000, 0.0004130300000000, 0.0000328800000000 ] - [ 0.0000667200000000, 0.0002244800000000, 0.0000627300000000 ] - [ -0.0003626500000000, -0.0002227900000000, -0.0000831600000000 ] - [ -0.0000836800000000, 0.0002797100000000, 0.0002326500000000 ] - [ 0.0004279800000000, 0.0006100300000000, 0.0003640900000000 ] - [ -0.0001081700000000, 0.0004737900000000, 0.0001355300000000 ] - [ 0.0000659100000000, -0.0013755500000000, -0.0000139700000000 ] - [ -0.0018724200000000, -0.0010919300000000, -0.0004771700000000 ] - [ 0.0008309000000000, -0.0002265900000000, -0.0002479200000000 ] - [ 0.0001703700000000, -0.0003022500000000, -0.0003522100000000 ] - [ -0.0002629800000000, 0.0008414100000000, 0.0014002700000000 ] - [ 0.0003181300000000, 0.0000287900000000, -0.0003592800000000 ] - [ -0.0001524800000000, 0.0012947100000000, 0.0002932200000000 ] - [ -0.0010975300000000, 0.0029374700000000, -0.0019572700000000 ] - [ -0.0003950900000000, 0.0006385800000000, 0.0001173000000000 ] - [ 0.0003388100000000, 0.0007902400000000, -0.0003377900000000 ] - [ -0.0232793100000000, 0.0115263000000000, 0.0107178700000000 ] - [ -0.0003242100000000, 0.0002745200000000, -0.0000932800000000 ] - [ 0.0012130300000000, -0.0011342300000000, 0.0043673600000000 ] - [ 0.0002422600000000, 0.0005236800000000, -0.0000419200000000 ] - [ -0.0003857200000000, 0.0010371500000000, -0.0016037700000000 ] - [ 0.0001951400000000, 0.0023480800000000, 0.0027437500000000 ] - [ -0.0043188300000000, -0.0020603300000000, 0.0007788500000000 ] - [ -0.0002574800000000, 0.0009489900000000, -0.0000944700000000 ] - [ -0.0035197900000000, -0.0002442500000000, -0.0018223000000000 ] - [ -0.0005670300000000, -0.0014822300000000, -0.0014922200000000 ] - [ 0.0004229100000000, -0.0002491800000000, 0.0000542400000000 ] - [ 0.0225723200000000, -0.0106763300000000, -0.0052085800000000 ] - [ -0.0002689900000000, 0.0006526700000000, -0.0000412300000000 ] - [ -0.0000048900000000, 0.0007336500000000, 0.0001020700000000 ] - [ 0.0001215300000000, -0.0002005700000000, 0.0003482100000000 ] - [ 0.3835173800000000, -0.1187521700000000, 0.0225945300000000 ] - [ 0.0004897000000000, -0.0008698800000000, -0.0016443800000000 ] - [ -0.0002378000000000, 0.0007008600000000, 0.0000027200000000 ] - [ -0.0036585400000000, -0.0001730300000000, -0.0012320000000000 ] - [ -0.0000515900000000, -0.0000621800000000, -0.0000605100000000 ] - [ 0.0011151200000000, -0.0056002900000000, 0.0013786500000000 ] - [ -0.0002684800000000, 0.0002042300000000, -0.0002128000000000 ] - [ -0.0002410000000000, -0.0012444200000000, 0.0004021300000000 ] - [ -0.0002888000000000, 0.0001114600000000, 0.0000825600000000 ] - [ 0.0005011500000000, -0.0006674800000000, 0.0002038000000000 ] - [ 0.0003041800000000, 0.0001664500000000, 0.0004283100000000 ] - [ 0.0000205000000000, 0.0007394500000000, 0.0001009400000000 ] - [ -0.0026157700000000, -0.0001761200000000, 0.0006429300000000 ] - [ 0.0000959600000000, 0.0001151400000000, -0.0003382200000000 ] - [ 0.0001564200000000, -0.0003615500000000, -0.0003160600000000 ] - [ -0.0001878600000000, 0.0000274900000000, 0.0003230400000000 ] - [ -0.0006200000000000, 0.0022179000000000, -0.0027622100000000 ] - [ -0.0005124300000000, 0.0004799000000000, -0.0001044500000000 ] - [ 0.0002634100000000, 0.0006024500000000, -0.0002354900000000 ] - [ -0.0007828600000000, -0.0004536700000000, -0.0001793600000000 ] - [ -0.0009921100000000, 0.0000631000000000, 0.0001288700000000 ] - [ -0.0055607700000000, -0.0041705100000000, 0.0001076300000000 ] - [ -0.0012802200000000, 0.0011857400000000, 0.0013920500000000 ] - [ 0.0000646800000000, 0.0002403100000000, -0.0002136600000000 ] - [ -0.0000048000000000, -0.0002245000000000, 0.0005914900000000 ] - [ 0.0001668700000000, 0.0007556500000000, -0.0000920400000000 ] - [ 0.0004045100000000, -0.0000203500000000, 0.0000037100000000 ] - [ 0.0066059000000000, 0.0003789000000000, 0.0010189800000000 ] - [ 0.0001313200000000, 0.0007802900000000, -0.0000380500000000 ] - [ 0.0012826200000000, 0.0002058600000000, -0.0007187500000000 ] - [ -0.0542886500000000, 0.0031952000000000, 0.0103279800000000 ] - [ -0.0003114100000000, -0.0005216100000000, 0.0002766400000000 ] - [ 0.0006767600000000, 0.0010303800000000, 0.0002712400000000 ] - [ -0.0002037200000000, -0.0003454600000000, 0.0010143900000000 ] - [ 0.0001538700000000, -0.0002993700000000, 0.0000468200000000 ] - [ 0.0013724300000000, -0.0008903000000000, -0.0006217900000000 ] - [ -0.0001189400000000, -0.0003066800000000, -0.0000703200000000 ] - [ 0.0004659300000000, -0.0018270200000000, -0.0000581000000000 ] - [ 0.0021518600000000, -0.0017047200000000, 0.0040931400000000 ] - [ 0.0036836100000000, 0.0014371600000000, 0.0009188500000000 ] - [ -0.0008031100000000, 0.0003565600000000, -0.0000733800000000 ] - [ -0.0003528900000000, 0.0000006700000000, 0.0003589500000000 ] - [ 0.0002955200000000, 0.0003551800000000, 0.0004554300000000 ] - [ 0.0003742900000000, -0.0003735100000000, 0.0016902700000000 ] - [ 0.0006343200000000, 0.0004191300000000, -0.0006827700000000 ] - [ -0.0000607000000000, -0.0001403900000000, 0.0002607700000000 ] - [ 0.0000628100000000, -0.0009379900000000, -0.0000978800000000 ] - [ 0.0000491900000000, 0.0001640900000000, 0.0009201200000000 ] - [ -0.0014585100000000, 0.0015568400000000, 0.0002777100000000 ] - [ -0.0001432100000000, 0.0006141400000000, -0.0005627800000000 ] - [ -0.0008210100000000, 0.0003767800000000, -0.0007952500000000 ] - [ 0.0002997800000000, -0.0003455800000000, 0.0003295000000000 ] - [ -0.0001303400000000, -0.0009842500000000, 0.0001883700000000 ] - [ 0.0002439100000000, -0.0008281800000000, -0.0002152200000000 ] - [ 0.0005060300000000, 0.0009563900000000, -0.0003457500000000 ] - [ -0.0000238100000000, 0.0000312800000000, 0.0027376200000000 ] - [ -0.1579209400000000, 0.0431487100000000, -0.0791956200000000 ] - [ -0.1682736100000000, 0.0760794100000000, 0.0463705200000000 ] - [ 0.0003217800000000, 0.0006179800000000, -0.0000531700000000 ] - [ -0.0008442900000000, 0.0005617100000000, 0.0001697400000000 ] - [ 0.0004956900000000, -0.0002910600000000, 0.0002170900000000 ] - [ 0.0002038900000000, -0.0001718300000000, -0.0001572500000000 ] - [ 0.0001646300000000, -0.0007820200000000, 0.0004455300000000 ] - [ -0.0011594700000000, -0.0003861300000000, 0.0002943600000000 ] - [ 0.0000219500000000, -0.0001445400000000, -0.0001836500000000 ] - [ 0.0076534500000000, 0.0021347100000000, 0.0019927200000000 ] - [ 0.0001513700000000, -0.0004708700000000, 0.0001311800000000 ] - [ 0.0018189700000000, -0.0006229400000000, -0.0001798500000000 ] - [ 0.0006058400000000, -0.0004328700000000, 0.0004108100000000 ] - [ -0.0005118900000000, 0.0001062500000000, -0.0000444100000000 ] - [ -0.0001878000000000, -0.0007624600000000, 0.0002946500000000 ] - [ -0.0003918600000000, -0.0003410800000000, -0.0002477600000000 ] - [ -0.0001384800000000, -0.0001593400000000, -0.0002536000000000 ] - [ -0.0000457600000000, -0.0005598200000000, -0.0000149300000000 ] - [ 0.0012136800000000, -0.0043221300000000, -0.0006793100000000 ] - [ 0.0002309400000000, -0.0000628300000000, -0.0003686400000000 ] - [ -0.0000879200000000, -0.0002393200000000, -0.0001626600000000 ] - [ 0.0012749000000000, 0.0007278300000000, 0.0008114100000000 ] - [ 0.0004755300000000, -0.0001413000000000, -0.0001497600000000 ] - [ 0.0000391300000000, -0.0010485200000000, -0.0009823900000000 ] - [ -0.0003647200000000, -0.0003963400000000, 0.0001888500000000 ] - [ -0.0001857500000000, -0.0004970500000000, -0.0000955100000000 ] - [ 0.0037416300000000, 0.0016921300000000, -0.0015609600000000 ] - [ -0.0003850100000000, -0.0002702500000000, -0.0000044000000000 ] - [ 0.0003971100000000, 0.0000610200000000, -0.0000247800000000 ] - [ 0.0011734400000000, -0.0007296500000000, 0.0002832500000000 ] - [ 0.0003258000000000, -0.0001755400000000, -0.0012578400000000 ] - [ -0.0005446100000000, -0.0003047600000000, 0.0001656900000000 ] - [ 0.0012051900000000, -0.0007767400000000, -0.0014724000000000 ] - [ 0.0000295800000000, 0.0013225600000000, 0.0000907700000000 ] - [ 0.0015618700000000, -0.0013502900000000, 0.0016337600000000 ] - [ 0.0022211400000000, 0.0011348300000000, 0.0011960900000000 ] - [ -0.0002413100000000, 0.0004021800000000, 0.0005750500000000 ] - [ -0.0019584500000000, 0.0002859600000000, -0.0000214600000000 ] - [ 0.0004589900000000, 0.0006187500000000, 0.0002099800000000 ] - [ -0.0001881500000000, -0.0013852700000000, 0.0020407100000000 ] - [ -0.0007967000000000, -0.0007907900000000, 0.0000160300000000 ] - [ -0.0004049000000000, -0.0011903300000000, -0.0001702000000000 ] - [ 0.0003048300000000, -0.0005973600000000, 0.0007228800000000 ] - [ 0.0001745700000000, -0.0001135500000000, 0.0000346100000000 ] - [ 0.0031290100000000, 0.0016178900000000, -0.0010457000000000 ] - [ 0.0002006100000000, -0.0003754900000000, -0.0006131900000000 ] - [ 0.0002042500000000, 0.0001189300000000, -0.0000076400000000 ] - [ 0.0000089500000000, 0.0002216100000000, -0.0001972000000000 ] - [ 0.0004779500000000, 0.0007861700000000, 0.0002778400000000 ] - [ 0.0004226400000000, -0.0013050100000000, -0.0000239800000000 ] - [ 0.0001351300000000, 0.0000342800000000, -0.0002562700000000 ] - [ 0.0001666700000000, -0.0002327500000000, 0.0001360400000000 ] - [ -0.0035009200000000, -0.0021604000000000, -0.0069911900000000 ] - [ 0.0000331800000000, -0.0002110800000000, -0.0003725400000000 ] - [ 0.0000609300000000, -0.0000339600000000, 0.0001962400000000 ] - [ 0.0000948600000000, -0.0001087200000000, -0.0000795200000000 ] - [ 0.0001508200000000, -0.0003050400000000, -0.0002238200000000 ] - [ -0.0000982300000000, -0.0003658700000000, 0.0000403600000000 ] - [ -0.0000248200000000, -0.0002372400000000, 0.0000419600000000 ] - [ -0.0001843600000000, 0.0000195600000000, 0.0002799800000000 ] - [ 0.0001641300000000, -0.0003649700000000, -0.0002462400000000 ] - [ -0.0038503600000000, 0.0011398200000000, -0.0005075300000000 ] - [ -0.0022984200000000, 0.0029491600000000, 0.0015491700000000 ] - [ -0.0009171100000000, 0.0012621000000000, -0.0001240600000000 ] - [ 0.0006452600000000, 0.0003287500000000, -0.0001936200000000 ] - [ 0.0020596000000000, 0.0047331500000000, -0.0053069800000000 ] - [ -0.0009830400000000, -0.0002636000000000, -0.0002922200000000 ] - [ 0.0019179400000000, -0.0004455400000000, -0.0001954700000000 ] - [ 0.0003932000000000, -0.0000252200000000, -0.0003191200000000 ]- atom: 52 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000865500000000, 0.0003141700000000, 0.0000188900000000 ] - [ -0.0001345400000000, 0.0001511300000000, 0.0001070500000000 ] - [ 0.0000974600000000, -0.0001914300000000, 0.0007223400000000 ] - [ 0.0000980700000000, -0.0001543300000000, 0.0002777900000000 ] - [ 0.0007663200000000, 0.0103974700000000, -0.0016899500000000 ] - [ 0.0001041900000000, -0.0003272900000000, 0.0000503800000000 ] - [ -0.0003599300000000, -0.0000103300000000, -0.0002957100000000 ] - [ 0.0000891600000000, 0.0069424700000000, -0.0072552800000000 ] - [ 0.0002747400000000, 0.0007125700000000, -0.0000460400000000 ] - [ -0.0043441400000000, 0.0016750900000000, 0.0015262000000000 ] - [ 0.0001055000000000, 0.0006297400000000, 0.0000906200000000 ] - [ 0.0000719500000000, -0.0000058200000000, 0.0000125000000000 ] - [ 0.0004342300000000, 0.0000268500000000, 0.0001458200000000 ] - [ 0.0000198300000000, 0.0002452500000000, -0.0000083500000000 ] - [ 0.0000253100000000, -0.0001280000000000, 0.0000325500000000 ] - [ -0.0003199300000000, 0.0003405500000000, -0.0000135200000000 ] - [ 0.0034565200000000, -0.0021285000000000, -0.0000550200000000 ] - [ 0.0006683300000000, -0.0014118000000000, 0.0005527700000000 ] - [ -0.0004435700000000, 0.0003424100000000, -0.0000555400000000 ] - [ -0.0002379600000000, 0.0005736900000000, 0.0000840600000000 ] - [ 0.0004077000000000, 0.0005123800000000, -0.0000068200000000 ] - [ -0.0001826600000000, 0.0002329000000000, 0.0002872500000000 ] - [ -0.0003511400000000, -0.0001996300000000, 0.0001107500000000 ] - [ 0.0000047900000000, 0.0002673000000000, 0.0002707800000000 ] - [ 0.0003593900000000, 0.0006350400000000, 0.0003608700000000 ] - [ -0.0000597400000000, 0.0004949200000000, 0.0001545800000000 ] - [ 0.0000561600000000, -0.0020641000000000, 0.0006558200000000 ] - [ -0.0015043600000000, -0.0009182200000000, -0.0004512000000000 ] - [ 0.0006785600000000, 0.0000125900000000, -0.0006525600000000 ] - [ 0.0002313600000000, -0.0004871600000000, -0.0011619700000000 ] - [ -0.0005832600000000, 0.0011610400000000, 0.0011939300000000 ] - [ 0.0007230700000000, 0.0007174300000000, 0.0004955300000000 ] - [ -0.0001077000000000, 0.0014801300000000, 0.0000391100000000 ] - [ -0.0007460700000000, 0.0006978100000000, -0.0015514700000000 ] - [ -0.0002102500000000, 0.0005954200000000, 0.0000765400000000 ] - [ 0.0001947400000000, 0.0007323400000000, -0.0003736700000000 ] - [ -0.0143746500000000, 0.0093795100000000, 0.0066822700000000 ] - [ 0.0000447100000000, 0.0003338800000000, -0.0002311700000000 ] - [ -0.0002142600000000, -0.0010183200000000, 0.0088239200000000 ] - [ 0.0002726900000000, 0.0007066800000000, 0.0002392600000000 ] - [ -0.0003385400000000, 0.0006226300000000, -0.0011654600000000 ] - [ 0.0000354800000000, 0.0019462800000000, 0.0020323900000000 ] - [ -0.0023938200000000, -0.0016426900000000, 0.0007562100000000 ] - [ -0.0002120400000000, 0.0007408000000000, 0.0000578500000000 ] - [ -0.0018674900000000, -0.0006358000000000, -0.0018443500000000 ] - [ 0.0003381200000000, -0.0007608400000000, -0.0001611700000000 ] - [ 0.0005347500000000, 0.0006319400000000, 0.0006787400000000 ] - [ 0.0094421500000000, -0.0099151900000000, -0.0006727600000000 ] - [ -0.0002718300000000, 0.0005685400000000, -0.0000524800000000 ] - [ -0.0000284700000000, 0.0007875800000000, 0.0000959100000000 ] - [ -0.0000100600000000, -0.0002716000000000, 0.0002991400000000 ] - [ 0.1183588000000000, -0.2517323000000000, -0.0346123500000000 ] - [ 0.0014048700000000, -0.0014037900000000, -0.0014980800000000 ] - [ -0.0002207100000000, 0.0008167900000000, -0.0000170000000000 ] - [ -0.0008023100000000, 0.0000876200000000, -0.0007041800000000 ] - [ -0.0000061400000000, -0.0000716700000000, 0.0000038200000000 ] - [ 0.0016471200000000, -0.0046522300000000, 0.0003200600000000 ] - [ 0.0000850800000000, 0.0000633500000000, -0.0002357000000000 ] - [ -0.0008556500000000, -0.0018918600000000, 0.0001187000000000 ] - [ -0.0001310900000000, 0.0000261300000000, 0.0000685400000000 ] - [ 0.0006048800000000, -0.0001219000000000, -0.0002283000000000 ] - [ 0.0002376800000000, 0.0001175900000000, 0.0005418500000000 ] - [ 0.0000156800000000, 0.0008388000000000, 0.0001141800000000 ] - [ -0.0017198000000000, -0.0004101700000000, 0.0004598300000000 ] - [ 0.0000452400000000, 0.0000907000000000, -0.0002585600000000 ] - [ 0.0002889000000000, -0.0003803200000000, 0.0001047700000000 ] - [ 0.0002358600000000, 0.0000763300000000, 0.0013233000000000 ] - [ -0.0003414900000000, 0.0015926900000000, -0.0018853000000000 ] - [ -0.0003071100000000, 0.0005909000000000, 0.0003599700000000 ] - [ 0.0003048600000000, 0.0006577400000000, -0.0002814000000000 ] - [ -0.0002790700000000, -0.0003477500000000, 0.0009556600000000 ] - [ -0.0003508500000000, 0.0003064500000000, 0.0000574600000000 ] - [ -0.0033720200000000, -0.0028973000000000, -0.0000561400000000 ] - [ -0.0011575100000000, 0.0007494800000000, 0.0004220700000000 ] - [ -0.0000461800000000, 0.0002838200000000, -0.0002902500000000 ] - [ 0.0003025700000000, 0.0006817200000000, -0.0002020700000000 ] - [ -0.0000129500000000, 0.0004870300000000, -0.0001127600000000 ] - [ 0.0002823800000000, 0.0006453400000000, 0.0000196000000000 ] - [ 0.0032356500000000, 0.0009079000000000, 0.0011214100000000 ] - [ -0.0000131200000000, 0.0006627300000000, -0.0000612000000000 ] - [ 0.0007891700000000, 0.0003117700000000, -0.0003346700000000 ] - [ -0.0028779800000000, 0.0642066800000000, 0.0391740000000000 ] - [ -0.0004051000000000, -0.0005500000000000, 0.0003333800000000 ] - [ -0.0000007500000000, 0.0006605300000000, -0.0001078400000000 ] - [ -0.0001444500000000, -0.0002222200000000, 0.0010358000000000 ] - [ 0.0002661400000000, -0.0003017500000000, 0.0001514200000000 ] - [ 0.0010347500000000, -0.0006642500000000, -0.0002775600000000 ] - [ -0.0001938800000000, -0.0002828000000000, -0.0001652600000000 ] - [ 0.0005189300000000, -0.0008285400000000, 0.0006931600000000 ] - [ 0.0002481700000000, -0.0003609900000000, 0.0006918000000000 ] - [ 0.0021428200000000, 0.0012431100000000, 0.0012025500000000 ] - [ -0.0008993100000000, -0.0004349300000000, -0.0002397800000000 ] - [ -0.0003146000000000, 0.0000238900000000, 0.0003255700000000 ] - [ 0.0001600000000000, 0.0001648400000000, -0.0000613100000000 ] - [ 0.0001302000000000, 0.0002214600000000, 0.0015292400000000 ] - [ 0.0019099900000000, 0.0007356400000000, -0.0011426000000000 ] - [ 0.0000078500000000, -0.0000295700000000, 0.0002147500000000 ] - [ 0.0000418300000000, -0.0011469100000000, -0.0002074400000000 ] - [ -0.0000102500000000, 0.0002992600000000, -0.0002003700000000 ] - [ -0.0021923400000000, 0.0022802900000000, -0.0006018000000000 ] - [ -0.0003048300000000, -0.0000625900000000, -0.0005250900000000 ] - [ -0.0004709500000000, 0.0011299200000000, -0.0022958700000000 ] - [ 0.0002509600000000, -0.0003760100000000, 0.0003639200000000 ] - [ -0.0001100500000000, -0.0010418000000000, 0.0002003400000000 ] - [ 0.0001379300000000, -0.0010003300000000, -0.0002648600000000 ] - [ -0.0001924600000000, 0.0005000000000000, 0.0002370900000000 ] - [ -0.0000636300000000, 0.0002929700000000, 0.0000478000000000 ] - [ -0.0432635000000000, 0.0736542100000000, -0.0337272000000000 ] - [ -0.0737594200000000, 0.0978343000000000, 0.0280049800000000 ] - [ 0.0000952900000000, 0.0004055800000000, -0.0005209100000000 ] - [ -0.0010396500000000, -0.0008794000000000, 0.0001354300000000 ] - [ 0.0003651900000000, -0.0002688800000000, 0.0000220600000000 ] - [ 0.0001346800000000, -0.0002210000000000, -0.0001094300000000 ] - [ 0.0001215100000000, -0.0007071600000000, 0.0004839100000000 ] - [ -0.0011399800000000, -0.0007430400000000, 0.0007799100000000 ] - [ 0.0000646300000000, -0.0001813800000000, -0.0002805300000000 ] - [ 0.0051705400000000, 0.0016698900000000, 0.0017925300000000 ] - [ 0.0001341700000000, -0.0004705500000000, 0.0001284400000000 ] - [ 0.0005046200000000, -0.0001465800000000, -0.0000942400000000 ] - [ 0.0003824800000000, -0.0003250800000000, 0.0004133500000000 ] - [ -0.0003419900000000, 0.0001337100000000, 0.0000258500000000 ] - [ -0.0000758900000000, -0.0005905200000000, 0.0002519900000000 ] - [ -0.0003655200000000, -0.0009459000000000, -0.0003534700000000 ] - [ 0.0002959400000000, -0.0010872800000000, -0.0003942600000000 ] - [ -0.0002668800000000, -0.0005609200000000, 0.0000705500000000 ] - [ 0.0007821400000000, -0.0026392400000000, -0.0003678700000000 ] - [ 0.0000008300000000, -0.0002996700000000, -0.0003382100000000 ] - [ -0.0000818200000000, -0.0002585000000000, -0.0002092200000000 ] - [ 0.0004990100000000, 0.0008400200000000, 0.0005436700000000 ] - [ 0.0005102100000000, -0.0001618000000000, -0.0001377400000000 ] - [ 0.0003240100000000, -0.0008995600000000, -0.0004699300000000 ] - [ -0.0002785900000000, -0.0003167700000000, 0.0001076300000000 ] - [ -0.0001405400000000, -0.0006442200000000, -0.0001306700000000 ] - [ 0.0018397000000000, 0.0012703100000000, -0.0009075900000000 ] - [ -0.0003331400000000, -0.0003364100000000, -0.0000086200000000 ] - [ 0.0003019500000000, 0.0001397100000000, -0.0000629100000000 ] - [ 0.0007609100000000, -0.0003843200000000, 0.0002117300000000 ] - [ 0.0003685500000000, -0.0001111100000000, -0.0011629200000000 ] - [ -0.0000863800000000, 0.0000187700000000, 0.0002237800000000 ] - [ 0.0007376300000000, -0.0007810500000000, -0.0012679800000000 ] - [ -0.0001937800000000, 0.0011084700000000, 0.0002051100000000 ] - [ 0.0008726700000000, -0.0008577200000000, 0.0012513800000000 ] - [ 0.0010494100000000, 0.0006341900000000, 0.0005198900000000 ] - [ -0.0004873700000000, 0.0004616900000000, 0.0001559000000000 ] - [ -0.0010478800000000, -0.0000690000000000, -0.0000837900000000 ] - [ 0.0003241200000000, 0.0004799100000000, -0.0003389700000000 ] - [ -0.0000537300000000, -0.0010265800000000, 0.0015062100000000 ] - [ -0.0006095700000000, -0.0007066700000000, 0.0000975000000000 ] - [ -0.0002789600000000, -0.0011061100000000, -0.0001287100000000 ] - [ 0.0001541800000000, -0.0003149300000000, 0.0002244600000000 ] - [ 0.0000716100000000, -0.0001790700000000, -0.0004898900000000 ] - [ 0.0017255300000000, 0.0012411000000000, -0.0004809200000000 ] - [ 0.0002965100000000, -0.0003690600000000, -0.0007276300000000 ] - [ 0.0001138300000000, 0.0000659900000000, 0.0000113100000000 ] - [ 0.0001232400000000, 0.0003581800000000, -0.0003154000000000 ] - [ 0.0007831600000000, 0.0011597700000000, 0.0004919900000000 ] - [ 0.0003263800000000, -0.0012088000000000, 0.0000247400000000 ] - [ 0.0002214100000000, 0.0000690100000000, -0.0001085400000000 ] - [ 0.0001525100000000, -0.0002736000000000, -0.0001420100000000 ] - [ -0.0015535300000000, -0.0015892800000000, -0.0036595900000000 ] - [ 0.0000417700000000, -0.0001982000000000, -0.0004329800000000 ] - [ -0.0000389100000000, 0.0000854100000000, 0.0001730900000000 ] - [ -0.0000507500000000, -0.0000925900000000, 0.0000170300000000 ] - [ 0.0002166400000000, -0.0003337800000000, -0.0002039800000000 ] - [ -0.0000345700000000, -0.0004053800000000, 0.0000848800000000 ] - [ -0.0000511600000000, -0.0002520700000000, -0.0000100600000000 ] - [ -0.0001344100000000, 0.0000413200000000, 0.0002375600000000 ] - [ 0.0001992800000000, -0.0004011000000000, -0.0002332900000000 ] - [ -0.0020396700000000, 0.0014855400000000, 0.0009279400000000 ] - [ -0.0013463200000000, 0.0011615400000000, -0.0001305700000000 ] - [ -0.0003751900000000, 0.0020893900000000, -0.0002224100000000 ] - [ 0.0000152900000000, 0.0005053600000000, -0.0007732900000000 ] - [ 0.0019797600000000, 0.0041409000000000, -0.0043508900000000 ] - [ -0.0009397800000000, -0.0005867800000000, 0.0002327700000000 ] - [ 0.0011184800000000, -0.0004321900000000, -0.0002956000000000 ] - [ 0.0000118800000000, -0.0005699600000000, -0.0001969500000000 ]- atom: 52 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001031200000000, -0.0005326800000000, 0.0001682100000000 ] - [ 0.0000026500000000, 0.0002954500000000, -0.0001597200000000 ] - [ 0.0005191400000000, 0.0001801200000000, -0.0008660300000000 ] - [ -0.0000063400000000, -0.0005140900000000, 0.0000003200000000 ] - [ -0.0008688100000000, -0.0113142600000000, 0.0014409200000000 ] - [ -0.0002925300000000, 0.0001103000000000, -0.0002379200000000 ] - [ 0.0001698600000000, 0.0002319000000000, 0.0001084100000000 ] - [ 0.0007581100000000, -0.0064729000000000, 0.0073530500000000 ] - [ -0.0002142100000000, -0.0008177600000000, -0.0000699200000000 ] - [ 0.0043182100000000, -0.0015500100000000, -0.0014229100000000 ] - [ -0.0000133200000000, 0.0000377900000000, 0.0001866800000000 ] - [ 0.0000594400000000, -0.0004387500000000, 0.0000408700000000 ] - [ 0.0004368100000000, -0.0003659200000000, 0.0000758300000000 ] - [ 0.0000404900000000, -0.0001364800000000, -0.0001090500000000 ] - [ -0.0000853000000000, 0.0000207600000000, 0.0000859400000000 ] - [ -0.0002979700000000, -0.0003516100000000, 0.0001569200000000 ] - [ -0.0036071800000000, 0.0017015700000000, -0.0000101600000000 ] - [ -0.0015182300000000, 0.0010639900000000, -0.0007686400000000 ] - [ -0.0004277400000000, -0.0000027100000000, -0.0001655900000000 ] - [ 0.0003699100000000, -0.0001322600000000, -0.0000294600000000 ] - [ 0.0002104500000000, -0.0005056900000000, -0.0001396600000000 ] - [ 0.0000887600000000, 0.0004380400000000, -0.0005625100000000 ] - [ -0.0002675800000000, 0.0002076600000000, 0.0000325000000000 ] - [ 0.0001855000000000, -0.0000510800000000, -0.0000835800000000 ] - [ 0.0001501300000000, -0.0009609300000000, 0.0005422400000000 ] - [ 0.0001442700000000, -0.0009740700000000, 0.0001253900000000 ] - [ -0.0004439800000000, 0.0010226300000000, 0.0000065100000000 ] - [ 0.0009869800000000, 0.0005983900000000, -0.0004525600000000 ] - [ -0.0007711100000000, 0.0004629100000000, 0.0003824500000000 ] - [ -0.0000445300000000, 0.0007992200000000, 0.0002971200000000 ] - [ 0.0004008600000000, -0.0008353900000000, -0.0003450700000000 ] - [ -0.0006094600000000, -0.0003397900000000, -0.0004282100000000 ] - [ -0.0002845400000000, -0.0004592900000000, 0.0006307900000000 ] - [ 0.0002442400000000, -0.0003672000000000, 0.0006615500000000 ] - [ 0.0000972700000000, -0.0009683800000000, -0.0001512700000000 ] - [ -0.0000126000000000, -0.0010539100000000, -0.0004815700000000 ] - [ 0.0146530400000000, -0.0092004700000000, -0.0067491800000000 ] - [ 0.0003447500000000, -0.0013601100000000, -0.0004403700000000 ] - [ 0.0001398700000000, 0.0005267100000000, -0.0091379000000000 ] - [ 0.0001024200000000, -0.0008892700000000, -0.0003412500000000 ] - [ 0.0002211000000000, -0.0002529400000000, 0.0010854100000000 ] - [ 0.0004637600000000, -0.0016256200000000, -0.0011202700000000 ] - [ 0.0025010200000000, 0.0012818000000000, -0.0006819500000000 ] - [ -0.0001628000000000, -0.0005546400000000, 0.0000453400000000 ] - [ 0.0014919700000000, 0.0004412900000000, 0.0019491600000000 ] - [ 0.0000579000000000, 0.0017772400000000, -0.0005078800000000 ] - [ -0.0004448000000000, -0.0001577200000000, -0.0003923300000000 ] - [ -0.0095960900000000, 0.0096163900000000, 0.0014552500000000 ] - [ -0.0000602200000000, -0.0010490600000000, 0.0000048900000000 ] - [ 0.0000922000000000, -0.0004081600000000, 0.0000668400000000 ] - [ 0.0004448900000000, 0.0003476700000000, -0.0009970900000000 ] - [ -0.1150368100000000, 0.2494469400000000, 0.0333105700000000 ] - [ -0.0009866400000000, 0.0020663300000000, 0.0012634300000000 ] - [ -0.0001924800000000, -0.0001421600000000, 0.0002449400000000 ] - [ 0.0011338600000000, -0.0005477600000000, 0.0007397000000000 ] - [ 0.0002970900000000, -0.0006982300000000, -0.0004630300000000 ] - [ -0.0016374300000000, 0.0052767100000000, -0.0005340500000000 ] - [ 0.0003272400000000, -0.0007376400000000, 0.0000074600000000 ] - [ 0.0007909700000000, 0.0022530700000000, -0.0002783100000000 ] - [ 0.0001033000000000, -0.0006334500000000, 0.0001457200000000 ] - [ -0.0008862400000000, 0.0002603400000000, -0.0003129900000000 ] - [ 0.0000554900000000, 0.0000262000000000, 0.0000040900000000 ] - [ -0.0000437500000000, -0.0002360100000000, 0.0001004300000000 ] - [ 0.0013154000000000, -0.0002676500000000, -0.0002341800000000 ] - [ -0.0003376800000000, -0.0002339000000000, -0.0002851000000000 ] - [ -0.0000315400000000, 0.0001155300000000, -0.0002443600000000 ] - [ -0.0004874500000000, 0.0001886700000000, -0.0011727700000000 ] - [ 0.0006156800000000, -0.0008288000000000, 0.0014211200000000 ] - [ 0.0000159300000000, 0.0001807800000000, 0.0001011000000000 ] - [ -0.0000497200000000, -0.0003979100000000, 0.0001421700000000 ] - [ -0.0001593400000000, 0.0002686300000000, -0.0002578300000000 ] - [ 0.0006815800000000, 0.0001776400000000, -0.0000100600000000 ] - [ 0.0030834800000000, 0.0021303100000000, 0.0005143200000000 ] - [ 0.0007272100000000, -0.0006759800000000, 0.0002717000000000 ] - [ 0.0004844900000000, -0.0003634300000000, -0.0004099300000000 ] - [ -0.0005635600000000, -0.0009489500000000, 0.0003385300000000 ] - [ -0.0000499800000000, -0.0008722000000000, -0.0000498200000000 ] - [ -0.0002529000000000, -0.0012389900000000, -0.0002370100000000 ] - [ -0.0031666800000000, -0.0012864500000000, -0.0009483800000000 ] - [ -0.0003172300000000, -0.0001816000000000, 0.0000131800000000 ] - [ -0.0002670700000000, 0.0004706400000000, 0.0003965100000000 ] - [ 0.0027809200000000, -0.0636550600000000, -0.0382657800000000 ] - [ -0.0001601700000000, 0.0003558800000000, 0.0001293500000000 ] - [ -0.0002940800000000, 0.0000873000000000, -0.0001352700000000 ] - [ 0.0002236300000000, 0.0001454800000000, -0.0003641700000000 ] - [ 0.0002016100000000, 0.0003736700000000, 0.0000393400000000 ] - [ -0.0005820200000000, 0.0005816100000000, 0.0000352000000000 ] - [ -0.0003505300000000, 0.0003644800000000, -0.0000407300000000 ] - [ -0.0009132100000000, 0.0007559700000000, -0.0003166500000000 ] - [ 0.0002651500000000, -0.0004474200000000, -0.0006298300000000 ] - [ -0.0018950000000000, -0.0011084800000000, -0.0009135400000000 ] - [ 0.0006415800000000, 0.0014903600000000, 0.0005927400000000 ] - [ -0.0001669500000000, 0.0004803200000000, 0.0005130200000000 ] - [ 0.0004155600000000, -0.0001907600000000, 0.0006502900000000 ] - [ -0.0002755200000000, -0.0014041200000000, -0.0011878800000000 ] - [ -0.0016658200000000, -0.0018321400000000, 0.0007683000000000 ] - [ 0.0002867800000000, 0.0007833000000000, 0.0000294600000000 ] - [ 0.0001086300000000, -0.0000441700000000, -0.0001272800000000 ] - [ -0.0003708900000000, -0.0002226200000000, 0.0005807200000000 ] - [ 0.0017786100000000, -0.0013909600000000, 0.0005517100000000 ] - [ 0.0004331300000000, 0.0000808500000000, -0.0003313400000000 ] - [ -0.0001064300000000, -0.0010862600000000, 0.0016716400000000 ] - [ 0.0003263600000000, 0.0004058500000000, 0.0002268000000000 ] - [ -0.0001159100000000, -0.0000641700000000, 0.0001669400000000 ] - [ 0.0001114300000000, -0.0000681700000000, -0.0000856900000000 ] - [ -0.0000774400000000, -0.0003802800000000, -0.0000329800000000 ] - [ -0.0004054000000000, -0.0002249200000000, -0.0002331500000000 ] - [ 0.0443101200000000, -0.0725474900000000, 0.0332990100000000 ] - [ 0.0704373900000000, -0.0968868500000000, -0.0265996200000000 ] - [ -0.0004229800000000, 0.0001390800000000, 0.0011056300000000 ] - [ 0.0007219400000000, 0.0003338100000000, 0.0004638200000000 ] - [ 0.0001812600000000, 0.0001848100000000, 0.0001831800000000 ] - [ 0.0001930700000000, 0.0007703300000000, -0.0004800800000000 ] - [ -0.0000413700000000, 0.0007862500000000, 0.0001780300000000 ] - [ 0.0006462100000000, 0.0002356700000000, 0.0000614600000000 ] - [ 0.0001982800000000, 0.0002926600000000, 0.0000766400000000 ] - [ -0.0046295700000000, -0.0015881000000000, -0.0015932400000000 ] - [ 0.0001823700000000, 0.0005731600000000, 0.0002046100000000 ] - [ -0.0008007600000000, -0.0006153700000000, -0.0001499700000000 ] - [ -0.0000650800000000, 0.0002257000000000, -0.0000804800000000 ] - [ -0.0001817300000000, 0.0006534500000000, -0.0000852900000000 ] - [ -0.0002148100000000, 0.0003695500000000, 0.0000810300000000 ] - [ 0.0000472000000000, 0.0008356800000000, 0.0000219300000000 ] - [ -0.0000913400000000, 0.0013998800000000, 0.0005177800000000 ] - [ -0.0001339100000000, -0.0003141900000000, -0.0001235000000000 ] - [ -0.0010092100000000, 0.0024972800000000, 0.0000681400000000 ] - [ -0.0000803700000000, 0.0002193700000000, -0.0003224500000000 ] - [ -0.0001663400000000, 0.0003946300000000, -0.0000826700000000 ] - [ 0.0004526200000000, -0.0006839100000000, -0.0004171000000000 ] - [ 0.0004287300000000, 0.0007283400000000, 0.0000112400000000 ] - [ -0.0007994900000000, 0.0008322100000000, 0.0002871100000000 ] - [ 0.0000156100000000, 0.0002047200000000, 0.0000949100000000 ] - [ -0.0000602400000000, 0.0003184700000000, 0.0000090500000000 ] - [ -0.0016943600000000, -0.0000840100000000, 0.0005775900000000 ] - [ -0.0006172000000000, 0.0004878100000000, -0.0001168700000000 ] - [ -0.0000493800000000, 0.0009331000000000, -0.0002871800000000 ] - [ 0.0001903200000000, 0.0002313000000000, -0.0000869900000000 ] - [ 0.0000167100000000, 0.0000358500000000, 0.0007798900000000 ] - [ 0.0003108200000000, 0.0010918600000000, -0.0005967600000000 ] - [ -0.0016906200000000, 0.0006450800000000, 0.0011557300000000 ] - [ -0.0000487500000000, -0.0021867800000000, 0.0001447300000000 ] - [ -0.0014117000000000, 0.0007883000000000, -0.0014650500000000 ] - [ -0.0011239300000000, -0.0005609200000000, -0.0011707000000000 ] - [ -0.0000813800000000, -0.0002611600000000, 0.0003070700000000 ] - [ 0.0008215900000000, 0.0011744700000000, 0.0004480200000000 ] - [ 0.0001343100000000, -0.0003928100000000, 0.0000946000000000 ] - [ -0.0001725600000000, 0.0008775900000000, -0.0010724000000000 ] - [ -0.0003285300000000, 0.0001417900000000, 0.0000293100000000 ] - [ -0.0002420400000000, 0.0003201300000000, 0.0000672600000000 ] - [ 0.0000924200000000, 0.0001772600000000, 0.0000646500000000 ] - [ 0.0001602300000000, 0.0000276400000000, 0.0000570000000000 ] - [ -0.0014910300000000, -0.0010978000000000, 0.0000477600000000 ] - [ 0.0001850200000000, -0.0001361200000000, -0.0001119600000000 ] - [ 0.0002895000000000, 0.0008097500000000, 0.0000409900000000 ] - [ -0.0005792400000000, -0.0004396600000000, 0.0005598900000000 ] - [ -0.0010697600000000, -0.0009298100000000, -0.0001572800000000 ] - [ -0.0000307300000000, 0.0004575500000000, 0.0002178400000000 ] - [ 0.0002482800000000, -0.0001381600000000, 0.0003025400000000 ] - [ 0.0001748200000000, -0.0002721000000000, -0.0004450900000000 ] - [ 0.0018515600000000, 0.0013690300000000, 0.0033103400000000 ] - [ 0.0000917300000000, 0.0001809200000000, -0.0004216800000000 ] - [ -0.0001108800000000, 0.0011048100000000, 0.0001616500000000 ] - [ -0.0001499900000000, 0.0004216300000000, -0.0001371300000000 ] - [ 0.0001660500000000, 0.0004109400000000, -0.0001756300000000 ] - [ -0.0004241900000000, 0.0004919700000000, 0.0001597700000000 ] - [ -0.0001815000000000, 0.0004029800000000, 0.0004437700000000 ] - [ 0.0000017600000000, -0.0000242500000000, 0.0006119100000000 ] - [ 0.0000893400000000, 0.0006233300000000, -0.0000995800000000 ] - [ 0.0022544000000000, -0.0018315600000000, -0.0008248600000000 ] - [ 0.0022799400000000, -0.0017200500000000, -0.0000029600000000 ] - [ -0.0005670900000000, -0.0015088900000000, 0.0003544500000000 ] - [ 0.0005458100000000, -0.0006960000000000, 0.0003075800000000 ] - [ -0.0022945000000000, -0.0040566900000000, 0.0040218700000000 ] - [ 0.0003715000000000, 0.0005645000000000, -0.0008266700000000 ] - [ -0.0007219000000000, -0.0004384400000000, 0.0003477100000000 ] - [ 0.0005585600000000, 0.0007716300000000, -0.0002632000000000 ]- atom: 52 displacement: [ -0.0035230240541542, 0.0000000000000000, 0.0093588621911988 ] forces: - [ 0.0000911700000000, 0.0002025000000000, -0.0001739900000000 ] - [ -0.0001050100000000, 0.0000129600000000, 0.0008785900000000 ] - [ -0.0005916600000000, 0.0001067800000000, 0.0017952000000000 ] - [ 0.0000496700000000, -0.0000735400000000, 0.0006418500000000 ] - [ 0.0004819700000000, -0.0014519000000000, -0.0054328000000000 ] - [ 0.0009779900000000, -0.0002413300000000, 0.0013400000000000 ] - [ -0.0002737700000000, -0.0003700200000000, -0.0007963600000000 ] - [ 0.0036113700000000, -0.0066647800000000, -0.0022637500000000 ] - [ 0.0003656200000000, 0.0005708700000000, -0.0006327900000000 ] - [ -0.0055156100000000, 0.0025954500000000, -0.0034585200000000 ] - [ 0.0000675500000000, 0.0004833100000000, -0.0001634200000000 ] - [ 0.0001236600000000, -0.0000818700000000, 0.0002071400000000 ] - [ 0.0003863500000000, -0.0000699800000000, 0.0003869700000000 ] - [ -0.0000356200000000, 0.0001497100000000, 0.0002283900000000 ] - [ 0.0000029600000000, -0.0005638200000000, 0.0010694300000000 ] - [ -0.0002775400000000, 0.0001248600000000, -0.0001844700000000 ] - [ 0.0048431100000000, -0.0015318000000000, -0.0039851700000000 ] - [ 0.0007063000000000, 0.0004686000000000, -0.0022151600000000 ] - [ -0.0004249800000000, 0.0003853400000000, 0.0002053800000000 ] - [ -0.0002676100000000, 0.0007390600000000, -0.0002366500000000 ] - [ 0.0004201700000000, 0.0006091100000000, -0.0005075200000000 ] - [ -0.0009502000000000, 0.0004119000000000, 0.0016852200000000 ] - [ -0.0004598800000000, -0.0002157200000000, 0.0008600200000000 ] - [ 0.0000788200000000, 0.0003140000000000, 0.0006792200000000 ] - [ 0.0003132300000000, 0.0002137200000000, 0.0002021700000000 ] - [ -0.0001179100000000, 0.0001825000000000, 0.0002340200000000 ] - [ 0.0007530200000000, -0.0045171800000000, 0.0045867500000000 ] - [ -0.0032144200000000, 0.0002183800000000, 0.0000951100000000 ] - [ -0.0004575900000000, -0.0033618000000000, 0.0002805400000000 ] - [ -0.0009640200000000, -0.0027828900000000, -0.0009531000000000 ] - [ -0.0020324000000000, 0.0034572300000000, 0.0009745500000000 ] - [ 0.0029076900000000, 0.0031910800000000, 0.0006082500000000 ] - [ -0.0002563100000000, 0.0009003000000000, -0.0006239200000000 ] - [ 0.0002042200000000, -0.0023832700000000, -0.0007368400000000 ] - [ -0.0001934800000000, 0.0005635100000000, 0.0001341600000000 ] - [ 0.0001933000000000, 0.0004578100000000, -0.0002982400000000 ] - [ -0.0182787600000000, 0.0099871300000000, 0.0065644600000000 ] - [ 0.0002126700000000, 0.0004687100000000, -0.0010833400000000 ] - [ -0.0039323400000000, 0.0018053500000000, 0.0422809000000000 ] - [ 0.0003341500000000, 0.0016309100000000, 0.0012673600000000 ] - [ 0.0003213500000000, -0.0007702100000000, -0.0008475600000000 ] - [ -0.0006541400000000, 0.0034243500000000, 0.0025700100000000 ] - [ -0.0014594700000000, -0.0015344400000000, 0.0019545800000000 ] - [ -0.0000290600000000, 0.0003670000000000, 0.0008325700000000 ] - [ -0.0019841200000000, -0.0008976500000000, -0.0043406000000000 ] - [ 0.0022132000000000, 0.0007046700000000, 0.0035474900000000 ] - [ 0.0013658300000000, 0.0025109200000000, 0.0005492900000000 ] - [ 0.0000462100000000, -0.0047245600000000, 0.0405338800000000 ] - [ -0.0002866600000000, 0.0006555600000000, -0.0000582900000000 ] - [ -0.0001800800000000, 0.0008452400000000, 0.0000813300000000 ] - [ -0.0005421300000000, -0.0009303700000000, 0.0016721900000000 ] - [ 0.1084791100000000, -0.0723896600000000, -0.4230398900000000 ] - [ 0.0059217100000000, -0.0031487600000000, -0.0025763600000000 ] - [ -0.0000745500000000, 0.0011701200000000, -0.0002400000000000 ] - [ 0.0021965500000000, -0.0009138300000000, 0.0009649300000000 ] - [ 0.0001054800000000, 0.0000430500000000, 0.0004343300000000 ] - [ -0.0034959200000000, -0.0032268500000000, 0.0010509100000000 ] - [ 0.0001031600000000, -0.0005012500000000, 0.0000039600000000 ] - [ -0.0045301700000000, -0.0040411600000000, 0.0006602200000000 ] - [ -0.0002652800000000, -0.0003265500000000, 0.0000829800000000 ] - [ -0.0003703100000000, -0.0001585300000000, -0.0026479300000000 ] - [ 0.0000625200000000, -0.0001536500000000, 0.0021637000000000 ] - [ 0.0000638800000000, 0.0009693400000000, 0.0001091800000000 ] - [ -0.0014905800000000, 0.0006265700000000, 0.0010249400000000 ] - [ 0.0000024900000000, -0.0000107100000000, 0.0002443900000000 ] - [ 0.0008229700000000, -0.0007121400000000, 0.0014931800000000 ] - [ 0.0014234400000000, 0.0004757100000000, 0.0056448400000000 ] - [ -0.0005256400000000, 0.0024316800000000, -0.0037661500000000 ] - [ 0.0000659100000000, 0.0011033900000000, 0.0017829800000000 ] - [ 0.0001910300000000, 0.0005856900000000, -0.0006961400000000 ] - [ 0.0014619900000000, -0.0005509900000000, 0.0048267900000000 ] - [ -0.0001129700000000, 0.0010817500000000, -0.0000348900000000 ] - [ -0.0031355800000000, -0.0018808000000000, -0.0027387700000000 ] - [ -0.0011887000000000, 0.0000554500000000, -0.0021457400000000 ] - [ 0.0000254400000000, 0.0000807400000000, -0.0008725400000000 ] - [ -0.0000106600000000, 0.0012998600000000, -0.0024561100000000 ] - [ 0.0000230500000000, -0.0007788900000000, -0.0000868500000000 ] - [ -0.0003192700000000, 0.0051568800000000, 0.0006556800000000 ] - [ 0.0022452300000000, 0.0038761900000000, 0.0012274800000000 ] - [ -0.0002186200000000, -0.0006175500000000, -0.0001247000000000 ] - [ 0.0008336700000000, -0.0001370100000000, 0.0000852600000000 ] - [ -0.0278912700000000, 0.0366770700000000, 0.1934252100000000 ] - [ -0.0002660800000000, -0.0004276300000000, 0.0006632700000000 ] - [ -0.0005489400000000, -0.0001006400000000, -0.0003064900000000 ] - [ -0.0003730700000000, 0.0011594200000000, 0.0004396300000000 ] - [ 0.0003116400000000, -0.0001984700000000, 0.0005383900000000 ] - [ 0.0006878700000000, -0.0002557600000000, 0.0006098800000000 ] - [ -0.0003741700000000, -0.0002926200000000, -0.0005656100000000 ] - [ -0.0001747400000000, 0.0005922200000000, 0.0024165200000000 ] - [ -0.0017550400000000, 0.0016406400000000, -0.0013283100000000 ] - [ 0.0026836200000000, 0.0009051300000000, 0.0035986400000000 ] - [ -0.0028252000000000, -0.0051473700000000, -0.0032261700000000 ] - [ -0.0003182800000000, 0.0000590000000000, -0.0000018000000000 ] - [ -0.0002771600000000, -0.0002085800000000, -0.0015712400000000 ] - [ -0.0014589000000000, 0.0018728100000000, 0.0020894700000000 ] - [ 0.0069846800000000, 0.0017059000000000, -0.0031552200000000 ] - [ -0.0001243200000000, 0.0006896500000000, 0.0002861000000000 ] - [ -0.0001038400000000, -0.0018700600000000, -0.0003954600000000 ] - [ 0.0000799100000000, 0.0007253800000000, -0.0036848700000000 ] - [ -0.0065065900000000, 0.0052962200000000, -0.0037986300000000 ] - [ -0.0002889300000000, -0.0004677900000000, 0.0013930800000000 ] - [ -0.0009532300000000, 0.0021539400000000, -0.0094296300000000 ] - [ 0.0003175700000000, -0.0002908900000000, 0.0007875200000000 ] - [ -0.0000222500000000, -0.0010673300000000, 0.0002044200000000 ] - [ -0.0000465500000000, -0.0012876600000000, -0.0003052800000000 ] - [ 0.0001825500000000, 0.0004605200000000, 0.0015887900000000 ] - [ -0.0002071000000000, 0.0003032200000000, -0.0065189100000000 ] - [ 0.0318041100000000, -0.0203470800000000, 0.0968608200000000 ] - [ -0.1046194100000000, 0.0548487500000000, 0.0857598700000000 ] - [ 0.0000211200000000, -0.0004878200000000, -0.0033257100000000 ] - [ -0.0011713200000000, -0.0022031100000000, 0.0021868600000000 ] - [ 0.0000733300000000, -0.0003274100000000, -0.0006669700000000 ] - [ 0.0001602500000000, -0.0002584600000000, 0.0001662500000000 ] - [ 0.0001815600000000, -0.0007338700000000, 0.0005058500000000 ] - [ 0.0002555300000000, 0.0002243600000000, 0.0018660600000000 ] - [ 0.0004883200000000, -0.0002238100000000, -0.0011242100000000 ] - [ 0.0057446900000000, 0.0019726100000000, 0.0037574100000000 ] - [ 0.0000876700000000, -0.0005406500000000, 0.0000918500000000 ] - [ -0.0009823200000000, 0.0009808700000000, -0.0003123700000000 ] - [ 0.0003539900000000, 0.0001149700000000, 0.0004885200000000 ] - [ -0.0001948100000000, 0.0007441500000000, -0.0000793800000000 ] - [ -0.0003673600000000, 0.0001255200000000, 0.0001027400000000 ] - [ -0.0006403600000000, -0.0041019500000000, -0.0003926400000000 ] - [ 0.0016909800000000, -0.0050354900000000, -0.0021697500000000 ] - [ 0.0000857800000000, 0.0000155900000000, 0.0001262500000000 ] - [ 0.0012195900000000, -0.0040185800000000, 0.0007788100000000 ] - [ -0.0002457400000000, -0.0010941000000000, -0.0000293300000000 ] - [ -0.0001437400000000, -0.0003207400000000, -0.0005786900000000 ] - [ -0.0014355000000000, 0.0007016100000000, 0.0007766100000000 ] - [ 0.0007245800000000, -0.0003369000000000, -0.0000217200000000 ] - [ 0.0007036200000000, -0.0012746500000000, 0.0015830700000000 ] - [ -0.0001714000000000, -0.0001727900000000, -0.0002258700000000 ] - [ -0.0001447800000000, -0.0009088400000000, -0.0002186300000000 ] - [ 0.0021008800000000, 0.0007709800000000, -0.0014361000000000 ] - [ -0.0003271300000000, -0.0004326100000000, 0.0000424900000000 ] - [ 0.0003225100000000, 0.0005253600000000, -0.0000944700000000 ] - [ 0.0003618000000000, 0.0002394200000000, -0.0000353000000000 ] - [ 0.0007225700000000, 0.0000179400000000, -0.0026428400000000 ] - [ -0.0001211100000000, 0.0013747400000000, -0.0000555600000000 ] - [ 0.0006193600000000, -0.0016823300000000, -0.0014492000000000 ] - [ 0.0020981500000000, 0.0020032200000000, -0.0001140900000000 ] - [ 0.0014025600000000, -0.0011322400000000, 0.0023448400000000 ] - [ -0.0009219900000000, -0.0000288000000000, -0.0018172900000000 ] - [ -0.0015325600000000, 0.0009511300000000, -0.0013057100000000 ] - [ -0.0008394400000000, -0.0022427500000000, 0.0000286900000000 ] - [ -0.0003013900000000, 0.0003004300000000, -0.0019023200000000 ] - [ -0.0005496400000000, -0.0010288800000000, 0.0028110400000000 ] - [ -0.0003845400000000, 0.0000152500000000, 0.0001748500000000 ] - [ -0.0002903300000000, -0.0013191300000000, -0.0000546900000000 ] - [ -0.0002327700000000, 0.0000372100000000, -0.0010915600000000 ] - [ -0.0003412800000000, -0.0007798000000000, -0.0018436600000000 ] - [ 0.0007015700000000, 0.0009328500000000, 0.0014409400000000 ] - [ 0.0004742300000000, -0.0005509000000000, -0.0017575900000000 ] - [ -0.0000501200000000, 0.0000125000000000, 0.0001877200000000 ] - [ 0.0010060300000000, 0.0011688400000000, -0.0016484400000000 ] - [ 0.0033099100000000, 0.0026666800000000, 0.0009178400000000 ] - [ 0.0004736900000000, -0.0014746900000000, 0.0000169100000000 ] - [ 0.0003602400000000, 0.0004166100000000, -0.0009981300000000 ] - [ 0.0000409900000000, -0.0002936400000000, -0.0009099500000000 ] - [ -0.0001325800000000, -0.0038997800000000, -0.0043176100000000 ] - [ 0.0000810200000000, -0.0001081500000000, -0.0009216400000000 ] - [ -0.0000244000000000, 0.0005438700000000, -0.0000742800000000 ] - [ 0.0001716200000000, 0.0004753200000000, 0.0000545800000000 ] - [ 0.0001524300000000, -0.0001560100000000, 0.0003643300000000 ] - [ -0.0002296400000000, -0.0001929100000000, 0.0004534300000000 ] - [ -0.0000571000000000, -0.0003226500000000, -0.0004074700000000 ] - [ 0.0001104000000000, 0.0005170600000000, -0.0015375800000000 ] - [ 0.0002999600000000, -0.0006932800000000, -0.0001913400000000 ] - [ 0.0027363600000000, 0.0046139200000000, -0.0022804500000000 ] - [ -0.0017396000000000, -0.0025668000000000, -0.0025544000000000 ] - [ 0.0016503400000000, 0.0045973000000000, -0.0029264600000000 ] - [ -0.0014620800000000, 0.0009766400000000, -0.0031149600000000 ] - [ 0.0033741900000000, 0.0024742900000000, -0.0034212400000000 ] - [ -0.0002159800000000, 0.0001519000000000, 0.0017369500000000 ] - [ 0.0009885200000000, -0.0010988700000000, -0.0008897700000000 ] - [ 0.0001076000000000, -0.0007474800000000, 0.0005762600000000 ]- atom: 52 displacement: [ 0.0035230240541542, 0.0000000000000000, -0.0093588621911988 ] forces: - [ 0.0000985700000000, -0.0004168200000000, 0.0003592800000000 ] - [ -0.0000242300000000, 0.0004276600000000, -0.0009345000000000 ] - [ 0.0012080500000000, -0.0001147700000000, -0.0019416500000000 ] - [ 0.0000426700000000, -0.0005912300000000, -0.0003634500000000 ] - [ -0.0005729600000000, 0.0008203900000000, 0.0051588900000000 ] - [ -0.0011676300000000, 0.0000264800000000, -0.0015287500000000 ] - [ 0.0000829900000000, 0.0005836200000000, 0.0006128300000000 ] - [ -0.0027548800000000, 0.0070411600000000, 0.0025057700000000 ] - [ -0.0003074300000000, -0.0006764800000000, 0.0005203100000000 ] - [ 0.0054859600000000, -0.0025141700000000, 0.0035986300000000 ] - [ 0.0000240700000000, 0.0001809300000000, 0.0004439700000000 ] - [ 0.0000042900000000, -0.0003584700000000, -0.0001522700000000 ] - [ 0.0004801700000000, -0.0002661600000000, -0.0001707500000000 ] - [ 0.0000942600000000, -0.0000459300000000, -0.0003428300000000 ] - [ -0.0000598800000000, 0.0004595300000000, -0.0009576500000000 ] - [ -0.0003416400000000, -0.0001345800000000, 0.0003292200000000 ] - [ -0.0049567900000000, 0.0010929900000000, 0.0039554500000000 ] - [ -0.0015911600000000, -0.0008084000000000, 0.0020013600000000 ] - [ -0.0004414200000000, -0.0000502300000000, -0.0004229600000000 ] - [ 0.0003963500000000, -0.0003014900000000, 0.0002929600000000 ] - [ 0.0001986700000000, -0.0005994600000000, 0.0003643500000000 ] - [ 0.0008555100000000, 0.0002520700000000, -0.0019660500000000 ] - [ -0.0001583200000000, 0.0002270600000000, -0.0007178800000000 ] - [ 0.0001106900000000, -0.0001014800000000, -0.0004969600000000 ] - [ 0.0002109800000000, -0.0005340400000000, 0.0007190700000000 ] - [ 0.0001873600000000, -0.0006555200000000, 0.0000548900000000 ] - [ -0.0011269300000000, 0.0034946100000000, -0.0039418300000000 ] - [ 0.0027016200000000, -0.0005437800000000, -0.0010149100000000 ] - [ 0.0003885700000000, 0.0038276500000000, -0.0005714500000000 ] - [ 0.0011537200000000, 0.0031094300000000, 0.0000857700000000 ] - [ 0.0018472300000000, -0.0031505100000000, -0.0001038300000000 ] - [ -0.0027922600000000, -0.0028220000000000, -0.0005219400000000 ] - [ -0.0001159700000000, 0.0001246700000000, 0.0012891900000000 ] - [ -0.0007303200000000, 0.0027150300000000, -0.0001867600000000 ] - [ 0.0000766400000000, -0.0009402100000000, -0.0002226600000000 ] - [ -0.0000077800000000, -0.0007729900000000, -0.0005735600000000 ] - [ 0.0186003100000000, -0.0097223200000000, -0.0066387300000000 ] - [ 0.0001589300000000, -0.0014963700000000, 0.0004216600000000 ] - [ 0.0038847100000000, -0.0023603600000000, -0.0429313400000000 ] - [ 0.0000638000000000, -0.0018162700000000, -0.0013548200000000 ] - [ -0.0004393900000000, 0.0011503600000000, 0.0007619300000000 ] - [ 0.0011716300000000, -0.0031097500000000, -0.0016587700000000 ] - [ 0.0015565300000000, 0.0011725000000000, -0.0018701800000000 ] - [ -0.0003708200000000, -0.0001834800000000, -0.0007490100000000 ] - [ 0.0015886200000000, 0.0007218500000000, 0.0044430800000000 ] - [ -0.0018390400000000, 0.0003157800000000, -0.0042278100000000 ] - [ -0.0012943700000000, -0.0020449700000000, -0.0002654900000000 ] - [ -0.0001177900000000, 0.0043741400000000, -0.0391651500000000 ] - [ -0.0000295800000000, -0.0011341800000000, 0.0000046900000000 ] - [ 0.0002513300000000, -0.0004498100000000, 0.0000874700000000 ] - [ 0.0009955600000000, 0.0010031500000000, -0.0023707800000000 ] - [ -0.1048760100000000, 0.0735422900000000, 0.4374410000000000 ] - [ -0.0055280100000000, 0.0038240500000000, 0.0023433500000000 ] - [ -0.0003456700000000, -0.0005099200000000, 0.0004798100000000 ] - [ -0.0018882500000000, 0.0004525200000000, -0.0009267000000000 ] - [ 0.0001951300000000, -0.0008244200000000, -0.0008910600000000 ] - [ 0.0035141800000000, 0.0038312400000000, -0.0012628800000000 ] - [ 0.0003153300000000, -0.0001602600000000, -0.0002428600000000 ] - [ 0.0044807900000000, 0.0044532100000000, -0.0008332300000000 ] - [ 0.0002340500000000, -0.0002856100000000, 0.0001334000000000 ] - [ 0.0000768600000000, 0.0002884200000000, 0.0021156200000000 ] - [ 0.0002296900000000, 0.0002860600000000, -0.0016207900000000 ] - [ -0.0000965200000000, -0.0003582000000000, 0.0001070200000000 ] - [ 0.0010768600000000, -0.0012957100000000, -0.0007909400000000 ] - [ -0.0002946100000000, -0.0001212800000000, -0.0007904600000000 ] - [ -0.0005720300000000, 0.0004547700000000, -0.0016392400000000 ] - [ -0.0016770500000000, -0.0002103000000000, -0.0055060500000000 ] - [ 0.0008276900000000, -0.0016587900000000, 0.0033221000000000 ] - [ -0.0003677700000000, -0.0003239900000000, -0.0013310400000000 ] - [ 0.0000621100000000, -0.0003268200000000, 0.0005559500000000 ] - [ -0.0019016900000000, 0.0004869200000000, -0.0041361300000000 ] - [ 0.0004305900000000, -0.0006093800000000, 0.0000892400000000 ] - [ 0.0028393600000000, 0.0010991200000000, 0.0032044200000000 ] - [ 0.0007389600000000, 0.0000138500000000, 0.0028477500000000 ] - [ 0.0004260400000000, -0.0001509400000000, 0.0001791000000000 ] - [ -0.0002420700000000, -0.0015607600000000, 0.0026019100000000 ] - [ -0.0000937500000000, 0.0003828400000000, -0.0000819300000000 ] - [ 0.0003522200000000, -0.0057762100000000, -0.0008704800000000 ] - [ -0.0021556000000000, -0.0042714000000000, -0.0010607300000000 ] - [ -0.0000976300000000, 0.0010978800000000, 0.0000715600000000 ] - [ -0.0003632100000000, 0.0009439800000000, -0.0000188700000000 ] - [ 0.0282012700000000, -0.0411943200000000, -0.2082478500000000 ] - [ -0.0002865500000000, 0.0002572800000000, -0.0001901100000000 ] - [ 0.0002770100000000, 0.0008818500000000, 0.0000639400000000 ] - [ 0.0004424300000000, -0.0012872400000000, 0.0002249800000000 ] - [ 0.0001742300000000, 0.0002696400000000, -0.0003238300000000 ] - [ -0.0001982800000000, 0.0001485200000000, -0.0008650800000000 ] - [ -0.0001873800000000, 0.0003800300000000, 0.0003596300000000 ] - [ -0.0002129100000000, -0.0006655800000000, -0.0020106300000000 ] - [ 0.0022206500000000, -0.0024516100000000, 0.0014130100000000 ] - [ -0.0024648300000000, -0.0007701200000000, -0.0033307800000000 ] - [ 0.0025441400000000, 0.0062411400000000, 0.0035806400000000 ] - [ -0.0001628200000000, 0.0004521700000000, 0.0008371600000000 ] - [ 0.0008480800000000, 0.0001819700000000, 0.0021493600000000 ] - [ 0.0013139400000000, -0.0030628900000000, -0.0017554400000000 ] - [ -0.0067799400000000, -0.0028372600000000, 0.0028136900000000 ] - [ 0.0003934300000000, 0.0000867900000000, -0.0000428700000000 ] - [ 0.0002557300000000, 0.0006936900000000, 0.0000571700000000 ] - [ -0.0004747100000000, -0.0006574800000000, 0.0041025400000000 ] - [ 0.0061399100000000, -0.0044433700000000, 0.0037713200000000 ] - [ 0.0004222700000000, 0.0004914600000000, -0.0022306000000000 ] - [ 0.0003818900000000, -0.0021174700000000, 0.0088331600000000 ] - [ 0.0002530800000000, 0.0003190300000000, -0.0002169900000000 ] - [ -0.0001973100000000, -0.0000580900000000, 0.0001633700000000 ] - [ 0.0003215800000000, 0.0002060800000000, -0.0000422300000000 ] - [ -0.0004194300000000, -0.0003696700000000, -0.0014026100000000 ] - [ -0.0002824200000000, -0.0002351300000000, 0.0062975700000000 ] - [ -0.0300751400000000, 0.0204895300000000, -0.0975288800000000 ] - [ 0.0997903700000000, -0.0513762400000000, -0.0845826100000000 ] - [ -0.0003508100000000, 0.0010290100000000, 0.0039117900000000 ] - [ 0.0008374400000000, 0.0016633100000000, -0.0016063500000000 ] - [ 0.0004940700000000, 0.0002382500000000, 0.0008755600000000 ] - [ 0.0001713600000000, 0.0008010500000000, -0.0007510400000000 ] - [ -0.0001135800000000, 0.0008599700000000, 0.0001576300000000 ] - [ -0.0007376800000000, -0.0007369200000000, -0.0010369400000000 ] - [ -0.0002526300000000, 0.0003139800000000, 0.0009310700000000 ] - [ -0.0051811900000000, -0.0018892100000000, -0.0035649200000000 ] - [ 0.0002376600000000, 0.0006805200000000, 0.0002406300000000 ] - [ 0.0007145200000000, -0.0017639700000000, 0.0000707500000000 ] - [ -0.0000280800000000, -0.0002580800000000, -0.0001582400000000 ] - [ -0.0002784500000000, 0.0000565200000000, 0.0000140400000000 ] - [ 0.0000914200000000, -0.0003663100000000, 0.0002292600000000 ] - [ 0.0003155900000000, 0.0039677000000000, 0.0000606900000000 ] - [ -0.0014682300000000, 0.0053729200000000, 0.0022931400000000 ] - [ -0.0004699400000000, -0.0008803800000000, -0.0001858000000000 ] - [ -0.0014513300000000, 0.0038956800000000, -0.0010635000000000 ] - [ 0.0001755100000000, 0.0009761300000000, -0.0006348600000000 ] - [ -0.0000869300000000, 0.0004586600000000, 0.0002973100000000 ] - [ 0.0023856800000000, -0.0005596400000000, -0.0006556600000000 ] - [ 0.0002423900000000, 0.0009261600000000, -0.0001104400000000 ] - [ -0.0011902200000000, 0.0012077500000000, -0.0018054600000000 ] - [ -0.0000641800000000, 0.0000836100000000, 0.0004201800000000 ] - [ -0.0000720500000000, 0.0005798300000000, 0.0001019200000000 ] - [ -0.0019619700000000, 0.0003960500000000, 0.0011112400000000 ] - [ -0.0006135000000000, 0.0005746500000000, -0.0001659100000000 ] - [ -0.0000444100000000, 0.0005595000000000, -0.0002546000000000 ] - [ 0.0005830500000000, -0.0003842500000000, 0.0001588600000000 ] - [ -0.0003306300000000, -0.0000857400000000, 0.0022337000000000 ] - [ 0.0003371100000000, -0.0002484300000000, -0.0003105000000000 ] - [ -0.0015605000000000, 0.0015555000000000, 0.0013402300000000 ] - [ -0.0023666700000000, -0.0030859900000000, 0.0004625200000000 ] - [ -0.0019717800000000, 0.0010462500000000, -0.0025632200000000 ] - [ 0.0008629400000000, 0.0001514900000000, 0.0011694000000000 ] - [ 0.0009824700000000, -0.0007813500000000, 0.0017850000000000 ] - [ 0.0006164500000000, 0.0033652300000000, 0.0003413000000000 ] - [ 0.0007824100000000, -0.0001981800000000, 0.0016562700000000 ] - [ 0.0003191500000000, 0.0008964900000000, -0.0023945200000000 ] - [ -0.0005833300000000, -0.0006037900000000, -0.0000426700000000 ] - [ -0.0001814000000000, 0.0005183800000000, -0.0000102600000000 ] - [ 0.0004615100000000, -0.0001757900000000, 0.0013750600000000 ] - [ 0.0005727800000000, 0.0006490500000000, 0.0014233100000000 ] - [ -0.0004659800000000, -0.0008033300000000, -0.0018733300000000 ] - [ 0.0000076100000000, 0.0000417700000000, 0.0009248400000000 ] - [ 0.0004373800000000, 0.0008540300000000, -0.0001287400000000 ] - [ -0.0014971200000000, -0.0012790800000000, 0.0019067800000000 ] - [ -0.0036010300000000, -0.0024370500000000, -0.0005900300000000 ] - [ -0.0002041100000000, 0.0006994700000000, 0.0002270200000000 ] - [ 0.0001283100000000, -0.0004884700000000, 0.0012190200000000 ] - [ 0.0002907400000000, -0.0002481000000000, 0.0003276000000000 ] - [ 0.0004073600000000, 0.0036414100000000, 0.0039786500000000 ] - [ 0.0000512600000000, 0.0000894800000000, 0.0000901500000000 ] - [ -0.0001260400000000, 0.0006350200000000, 0.0004128900000000 ] - [ -0.0003897800000000, -0.0001458500000000, -0.0001723300000000 ] - [ 0.0002398400000000, 0.0002224100000000, -0.0007814500000000 ] - [ -0.0002578700000000, 0.0002986000000000, -0.0002020000000000 ] - [ -0.0001759800000000, 0.0004592800000000, 0.0008353500000000 ] - [ -0.0002426600000000, -0.0004973500000000, 0.0023693200000000 ] - [ -0.0000248900000000, 0.0009343300000000, -0.0001405400000000 ] - [ -0.0025142200000000, -0.0049324100000000, 0.0023899800000000 ] - [ 0.0026957000000000, 0.0019847900000000, 0.0024315200000000 ] - [ -0.0026250200000000, -0.0040216700000000, 0.0030814800000000 ] - [ 0.0020140700000000, -0.0011469500000000, 0.0026456700000000 ] - [ -0.0036698400000000, -0.0023369200000000, 0.0030788800000000 ] - [ -0.0003588500000000, -0.0001798100000000, -0.0023116100000000 ] - [ -0.0006068900000000, 0.0002376200000000, 0.0009537800000000 ] - [ 0.0004465100000000, 0.0009225200000000, -0.0010508300000000 ]- atom: 53 displacement: [ 0.0099999639143206, 0.0000000000000000, -0.0000268647033593 ] forces: - [ -0.0000680100000000, -0.0002510800000000, 0.0001212900000000 ] - [ -0.0000998900000000, -0.0001666900000000, -0.0002680800000000 ] - [ 0.0012913500000000, -0.0001146800000000, -0.0007396300000000 ] - [ 0.0000934100000000, -0.0004612000000000, 0.0003087700000000 ] - [ -0.0000960400000000, -0.0007842900000000, 0.0001633200000000 ] - [ -0.0067743900000000, -0.0000962000000000, 0.0004885100000000 ] - [ -0.0000963100000000, 0.0004400800000000, -0.0003953700000000 ] - [ 0.0037265500000000, 0.0050947800000000, 0.0054767000000000 ] - [ -0.0000421800000000, 0.0000879900000000, 0.0000350300000000 ] - [ 0.0016338800000000, 0.0002143400000000, -0.0000829000000000 ] - [ 0.0002015200000000, 0.0002664800000000, 0.0001517800000000 ] - [ -0.0000905200000000, -0.0002066700000000, 0.0001148700000000 ] - [ 0.0004656100000000, -0.0001553800000000, 0.0000683900000000 ] - [ 0.0001938300000000, 0.0002237600000000, -0.0000355100000000 ] - [ -0.0000836600000000, 0.0003985300000000, 0.0004421100000000 ] - [ -0.0002624200000000, 0.0000111300000000, 0.0000232200000000 ] - [ -0.0064799500000000, -0.0009436000000000, 0.0008603800000000 ] - [ 0.0003792700000000, -0.0002015300000000, -0.0006683900000000 ] - [ -0.0004599800000000, 0.0003353500000000, 0.0000602100000000 ] - [ 0.0001230100000000, -0.0000675100000000, -0.0003686600000000 ] - [ 0.0002570600000000, -0.0001151400000000, 0.0000571700000000 ] - [ 0.0017479900000000, 0.0000520300000000, -0.0001392900000000 ] - [ 0.0027326600000000, -0.0042383900000000, 0.0046590300000000 ] - [ -0.0000349800000000, 0.0005562300000000, -0.0004096700000000 ] - [ 0.0003647500000000, 0.0003894400000000, 0.0007357800000000 ] - [ 0.0003136100000000, -0.0006900900000000, 0.0004098900000000 ] - [ 0.0178889800000000, 0.0168155900000000, -0.0177109600000000 ] - [ 0.0279604400000000, 0.0150741700000000, 0.0015378300000000 ] - [ -0.0000295600000000, 0.0002026900000000, -0.0002364100000000 ] - [ 0.0038253900000000, -0.0001372900000000, 0.0007869400000000 ] - [ 0.0023003500000000, -0.0001673700000000, 0.0009734600000000 ] - [ -0.0044710700000000, 0.0004156000000000, 0.0009369000000000 ] - [ -0.0003110800000000, 0.0005536200000000, 0.0001860000000000 ] - [ -0.0002639300000000, 0.0001123900000000, -0.0005376200000000 ] - [ -0.0000771300000000, -0.0001197800000000, -0.0003858900000000 ] - [ 0.0000903200000000, -0.0000971300000000, -0.0004886300000000 ] - [ -0.0029668900000000, -0.0001378300000000, -0.0022693300000000 ] - [ 0.0002321200000000, 0.0002605300000000, -0.0007594700000000 ] - [ 0.0269601800000000, -0.0157648500000000, 0.0016530600000000 ] - [ 0.0000418100000000, -0.0006585800000000, -0.0003048600000000 ] - [ -0.0030296500000000, -0.0010162600000000, 0.0021433500000000 ] - [ 0.0002718000000000, 0.0001198600000000, -0.0006613800000000 ] - [ -0.0002342600000000, -0.0002737700000000, -0.0037704600000000 ] - [ -0.0003052300000000, 0.0001241700000000, -0.0000651800000000 ] - [ 0.0171426100000000, -0.0207431400000000, -0.0202272000000000 ] - [ -0.0036832000000000, -0.0003592900000000, -0.0018686900000000 ] - [ 0.0000401500000000, 0.0003463400000000, -0.0007265700000000 ] - [ -0.0004641400000000, -0.0003059600000000, 0.0026572100000000 ] - [ -0.0001695700000000, -0.0001854100000000, -0.0000591400000000 ] - [ 0.0003702900000000, 0.0002141100000000, 0.0001105400000000 ] - [ 0.0040935500000000, 0.0022077500000000, 0.0000817800000000 ] - [ -0.0001218800000000, 0.0011333900000000, 0.0063079800000000 ] - [ -0.4697766600000000, 0.0042793200000000, 0.0634344500000000 ] - [ -0.0005826100000000, 0.0003244900000000, 0.0002095500000000 ] - [ -0.0000008700000000, -0.0005114800000000, 0.0000377700000000 ] - [ 0.0000621900000000, -0.0003078500000000, -0.0002424900000000 ] - [ -0.0001207100000000, 0.0003893700000000, -0.0001925400000000 ] - [ 0.0002356700000000, -0.0002895300000000, -0.0002024100000000 ] - [ 0.0090538100000000, 0.0000962800000000, 0.0006478600000000 ] - [ 0.0007279200000000, -0.0023488600000000, 0.0002830700000000 ] - [ 0.0022692300000000, -0.0014468200000000, -0.0007319700000000 ] - [ 0.0006178900000000, 0.0001904400000000, 0.0003356000000000 ] - [ -0.0000249200000000, 0.0003751100000000, 0.0000958000000000 ] - [ 0.0000652800000000, -0.0007593100000000, -0.0006050600000000 ] - [ -0.0001118400000000, -0.0000563700000000, -0.0001119500000000 ] - [ -0.0025710500000000, 0.0028816600000000, -0.0000078700000000 ] - [ -0.0010915300000000, -0.0017597800000000, -0.0063599700000000 ] - [ -0.0017799400000000, -0.0006523100000000, -0.0009332000000000 ] - [ -0.0003448100000000, 0.0005043800000000, 0.0001826900000000 ] - [ 0.0001077600000000, 0.0001296700000000, -0.0001787500000000 ] - [ -0.0005688200000000, -0.0016655500000000, 0.0060264400000000 ] - [ 0.0016742900000000, 0.0032811600000000, -0.0004019200000000 ] - [ -0.0004310400000000, 0.0024917000000000, -0.0051316000000000 ] - [ 0.0002621100000000, -0.0000547500000000, 0.0003686900000000 ] - [ 0.0001720800000000, 0.0000051700000000, -0.0002423600000000 ] - [ -0.0002676500000000, -0.0002454700000000, -0.0000691500000000 ] - [ -0.0000327000000000, -0.0001934600000000, -0.0000862600000000 ] - [ 0.0013564100000000, -0.0031829600000000, -0.0002735000000000 ] - [ 0.0000347200000000, -0.0002197700000000, 0.0002511200000000 ] - [ 0.0007026600000000, 0.0038131900000000, 0.0004244000000000 ] - [ -0.0016820600000000, -0.0027509400000000, 0.0003520000000000 ] - [ -0.0023174900000000, 0.0019037500000000, -0.0074908600000000 ] - [ -0.0001861400000000, -0.0001034100000000, 0.0003815300000000 ] - [ -0.0000151100000000, -0.0064299400000000, -0.0000696300000000 ] - [ 0.0006007500000000, -0.0057077100000000, -0.0012497600000000 ] - [ 0.0002173600000000, 0.0000280300000000, 0.0001043800000000 ] - [ -0.0001635800000000, -0.0001020000000000, 0.0000211900000000 ] - [ -0.0001527300000000, 0.0000249300000000, -0.0000393000000000 ] - [ -0.0004157200000000, -0.0000231200000000, 0.0003034900000000 ] - [ 0.0003690800000000, -0.0002764900000000, -0.0003067500000000 ] - [ -0.0038691100000000, -0.0005691600000000, 0.0065036600000000 ] - [ 0.0003455300000000, 0.0066454500000000, 0.0001915300000000 ] - [ -0.0003123500000000, 0.0002020900000000, 0.0003814800000000 ] - [ 0.0014441700000000, -0.0007791100000000, 0.0014634300000000 ] - [ 0.0527839400000000, -0.0151246000000000, -0.0085955400000000 ] - [ -0.0102281600000000, -0.0000964700000000, -0.0001176700000000 ] - [ 0.0010024700000000, -0.0010469000000000, -0.0003306000000000 ] - [ 0.0004092900000000, -0.0006281300000000, -0.0002660000000000 ] - [ -0.0025699200000000, -0.0016617900000000, -0.0075217800000000 ] - [ 0.1978360700000000, -0.0613148400000000, -0.0503567900000000 ] - [ -0.0005248000000000, 0.0004192400000000, 0.0003685200000000 ] - [ -0.0054107600000000, 0.0016515900000000, 0.0073331500000000 ] - [ 0.0002363400000000, -0.0000063800000000, 0.0003552100000000 ] - [ -0.0004389800000000, -0.0005983500000000, 0.0001332400000000 ] - [ 0.0001731700000000, -0.0006106500000000, 0.0000055100000000 ] - [ -0.0044221800000000, 0.0025679900000000, 0.0015305700000000 ] - [ -0.0012909900000000, 0.0004128400000000, -0.0029905800000000 ] - [ -0.0008016500000000, 0.0002314200000000, -0.0031562700000000 ] - [ 0.0020824300000000, -0.0006871500000000, -0.0026003100000000 ] - [ -0.0003424700000000, 0.0023959700000000, 0.0038664000000000 ] - [ 0.0005236300000000, -0.0003218300000000, 0.0001409400000000 ] - [ 0.0005290700000000, -0.0000628000000000, 0.0001772300000000 ] - [ 0.0001396900000000, 0.0003300000000000, -0.0001270700000000 ] - [ 0.0000406300000000, 0.0000007300000000, 0.0003914900000000 ] - [ -0.0022844700000000, -0.0002848100000000, -0.0001932500000000 ] - [ -0.0002883600000000, 0.0000880300000000, 0.0000252400000000 ] - [ 0.0015019500000000, -0.0002152700000000, 0.0057419200000000 ] - [ 0.0001633300000000, 0.0000206100000000, 0.0001996400000000 ] - [ -0.0000798800000000, -0.0002825900000000, 0.0002894500000000 ] - [ 0.0006051300000000, 0.0025892100000000, 0.0001735800000000 ] - [ -0.0013106100000000, -0.0006029100000000, -0.0003301600000000 ] - [ -0.0001340800000000, -0.0001327100000000, 0.0001896600000000 ] - [ 0.0000655200000000, 0.0025035700000000, -0.0001259600000000 ] - [ -0.0017861000000000, 0.0038362100000000, 0.0005446000000000 ] - [ -0.0001871700000000, -0.0004477500000000, 0.0000779600000000 ] - [ 0.0011327500000000, 0.0000122100000000, 0.0006277300000000 ] - [ 0.0004797000000000, -0.0028645200000000, -0.0000525100000000 ] - [ -0.0001131800000000, 0.0000130700000000, -0.0001129400000000 ] - [ 0.1726856100000000, 0.0800422100000000, 0.0088091000000000 ] - [ 0.0000833500000000, 0.0002361100000000, -0.0001612800000000 ] - [ -0.0007600300000000, 0.0000269200000000, -0.0003485600000000 ] - [ -0.0000876700000000, -0.0000687200000000, 0.0000460800000000 ] - [ -0.0000943600000000, -0.0002276800000000, -0.0000067200000000 ] - [ -0.0000807300000000, 0.0008747100000000, 0.0010944300000000 ] - [ -0.0002008800000000, -0.0000399400000000, -0.0001258400000000 ] - [ 0.0000200100000000, 0.0016058600000000, -0.0002090500000000 ] - [ 0.0004772800000000, -0.0000852800000000, 0.0001688000000000 ] - [ -0.0008713800000000, -0.0008821100000000, 0.0009522500000000 ] - [ 0.0001057000000000, 0.0005635600000000, -0.0002418900000000 ] - [ -0.0004573200000000, 0.0001255300000000, 0.0005325200000000 ] - [ -0.0000277200000000, -0.0005471400000000, 0.0006142600000000 ] - [ 0.0021019400000000, 0.0021468700000000, 0.0017568500000000 ] - [ 0.0002389100000000, 0.0004666200000000, 0.0001799700000000 ] - [ 0.0049307600000000, -0.0037003700000000, 0.0032038500000000 ] - [ -0.0001114300000000, 0.0005642800000000, 0.0003387500000000 ] - [ 0.0029178200000000, 0.0010115600000000, -0.0030827200000000 ] - [ 0.0005925900000000, 0.0011262400000000, 0.0005311400000000 ] - [ -0.0004730600000000, -0.0003015900000000, 0.0000976000000000 ] - [ -0.0002313900000000, -0.0004439700000000, 0.0000437300000000 ] - [ 0.0002613100000000, -0.0001522200000000, 0.0001874200000000 ] - [ 0.0007457400000000, 0.0000641500000000, -0.0004589700000000 ] - [ -0.0002244000000000, -0.0019888100000000, 0.0034214100000000 ] - [ -0.0003293900000000, -0.0004453800000000, -0.0006349500000000 ] - [ 0.0004396500000000, 0.0004667600000000, -0.0000833000000000 ] - [ -0.0069061100000000, -0.0042930200000000, 0.0030327900000000 ] - [ -0.0103132800000000, 0.0010722600000000, -0.0003113600000000 ] - [ 0.0001671600000000, -0.0004349200000000, 0.0003218300000000 ] - [ -0.0021798600000000, 0.0000127200000000, -0.0011539100000000 ] - [ 0.0014599800000000, -0.0012627600000000, -0.0016558200000000 ] - [ 0.0002871800000000, -0.0001726200000000, -0.0001336400000000 ] - [ 0.0000488900000000, 0.0000039400000000, -0.0006512700000000 ] - [ -0.0000805500000000, 0.0005439600000000, 0.0002368800000000 ] - [ -0.0009735300000000, 0.0006238800000000, -0.0002508300000000 ] - [ 0.0002222500000000, -0.0000009400000000, -0.0004319300000000 ] - [ -0.0001448500000000, 0.0000438600000000, 0.0000975500000000 ] - [ -0.0000968400000000, -0.0001003400000000, 0.0003354400000000 ] - [ -0.0002718400000000, 0.0000196700000000, 0.0004216300000000 ] - [ -0.0001562300000000, 0.0002110400000000, -0.0002220500000000 ] - [ 0.0002484300000000, -0.0001341400000000, -0.0001970300000000 ] - [ 0.0006304200000000, -0.0002524300000000, -0.0000990200000000 ] - [ -0.0107858600000000, -0.0001465300000000, -0.0010189300000000 ] - [ 0.0016538200000000, -0.0002606100000000, 0.0036561000000000 ] - [ 0.0000936900000000, -0.0000868500000000, 0.0002871300000000 ] - [ -0.0001756700000000, 0.0000598300000000, -0.0001915500000000 ] - [ 0.0000698100000000, -0.0004022100000000, 0.0006315700000000 ] - [ 0.0005347100000000, 0.0001144500000000, -0.0000681500000000 ]- atom: 53 displacement: [ -0.0099999639143206, 0.0000000000000000, 0.0000268647033593 ] forces: - [ 0.0002570800000000, 0.0000312300000000, 0.0000622400000000 ] - [ -0.0000273900000000, 0.0006050300000000, 0.0002121000000000 ] - [ -0.0006758900000000, 0.0001047000000000, 0.0005913500000000 ] - [ 0.0000016100000000, -0.0002027500000000, -0.0000280100000000 ] - [ 0.0000032000000000, 0.0001177900000000, -0.0004422200000000 ] - [ 0.0065832900000000, -0.0000969000000000, -0.0006623300000000 ] - [ -0.0000933000000000, -0.0002271200000000, 0.0002100900000000 ] - [ -0.0028385900000000, -0.0047137800000000, -0.0052006400000000 ] - [ 0.0000975800000000, -0.0001911300000000, -0.0001499100000000 ] - [ -0.0016907900000000, -0.0001122700000000, 0.0001943400000000 ] - [ -0.0001094400000000, 0.0003989200000000, 0.0001277800000000 ] - [ 0.0002182000000000, -0.0002376900000000, -0.0000563700000000 ] - [ 0.0004015900000000, -0.0001813000000000, 0.0001491300000000 ] - [ -0.0001348500000000, -0.0001187600000000, -0.0000780500000000 ] - [ 0.0000236600000000, -0.0005044800000000, -0.0003291500000000 ] - [ -0.0003537400000000, -0.0000219900000000, 0.0001227300000000 ] - [ 0.0063405400000000, 0.0005329300000000, -0.0009197600000000 ] - [ -0.0012452600000000, -0.0001332200000000, 0.0004523900000000 ] - [ -0.0004077900000000, -0.0000010300000000, -0.0002777600000000 ] - [ 0.0000077900000000, 0.0005062600000000, 0.0004225700000000 ] - [ 0.0003590300000000, 0.0001233100000000, -0.0002032300000000 ] - [ -0.0018403500000000, 0.0006116300000000, -0.0001388700000000 ] - [ -0.0033552100000000, 0.0042821800000000, -0.0045488000000000 ] - [ 0.0002222800000000, -0.0003416800000000, 0.0005947200000000 ] - [ 0.0001540500000000, -0.0007151300000000, 0.0001842500000000 ] - [ -0.0002392500000000, 0.0002098100000000, -0.0001203000000000 ] - [ -0.0181924900000000, -0.0177726000000000, 0.0182413300000000 ] - [ -0.0286371900000000, -0.0155133000000000, -0.0024521400000000 ] - [ -0.0000400400000000, 0.0002684100000000, -0.0000524000000000 ] - [ -0.0036320300000000, 0.0004799000000000, -0.0016556200000000 ] - [ -0.0024828200000000, 0.0004791100000000, -0.0001007400000000 ] - [ 0.0045847500000000, -0.0000533200000000, -0.0008464000000000 ] - [ -0.0000613800000000, 0.0004685500000000, 0.0004772300000000 ] - [ -0.0002604000000000, 0.0002045900000000, -0.0003819100000000 ] - [ -0.0000396200000000, -0.0002564400000000, 0.0002972800000000 ] - [ 0.0000951900000000, -0.0002186900000000, -0.0003828200000000 ] - [ 0.0033606200000000, 0.0003350500000000, 0.0021675700000000 ] - [ 0.0001393800000000, -0.0012904500000000, 0.0000959300000000 ] - [ -0.0268875300000000, 0.0152037500000000, -0.0019763200000000 ] - [ 0.0003564600000000, 0.0004699800000000, 0.0002189700000000 ] - [ 0.0028840300000000, 0.0012993600000000, -0.0022187700000000 ] - [ 0.0002512200000000, 0.0002001300000000, 0.0015714600000000 ] - [ 0.0003522600000000, -0.0000987000000000, 0.0038565600000000 ] - [ -0.0000937500000000, 0.0000552900000000, 0.0001513300000000 ] - [ -0.0176065400000000, 0.0207404700000000, 0.0205391100000000 ] - [ 0.0040588500000000, 0.0013982000000000, 0.0012089600000000 ] - [ 0.0000292500000000, 0.0001280700000000, 0.0010215000000000 ] - [ 0.0002756800000000, -0.0000054000000000, -0.0017855200000000 ] - [ -0.0001475400000000, -0.0002919800000000, 0.0000048400000000 ] - [ -0.0002989900000000, 0.0001786200000000, 0.0000583000000000 ] - [ -0.0036324900000000, -0.0021308800000000, -0.0007808800000000 ] - [ 0.0004083700000000, -0.0012592100000000, -0.0057401700000000 ] - [ 0.4681584400000000, 0.0115624500000000, -0.0576572700000000 ] - [ 0.0001624400000000, 0.0003328400000000, 0.0000310100000000 ] - [ 0.0003192000000000, 0.0000354000000000, 0.0000157400000000 ] - [ 0.0002383000000000, -0.0004731400000000, -0.0002120700000000 ] - [ 0.0001525100000000, 0.0002229000000000, -0.0000239400000000 ] - [ 0.0001846500000000, -0.0003745300000000, -0.0000361500000000 ] - [ -0.0091254400000000, 0.0002593600000000, -0.0008157400000000 ] - [ -0.0007464600000000, 0.0017380900000000, -0.0000675000000000 ] - [ -0.0025641800000000, 0.0015833600000000, 0.0001971300000000 ] - [ -0.0003245600000000, -0.0000579800000000, 0.0002085000000000 ] - [ -0.0000084500000000, 0.0002357900000000, 0.0001210700000000 ] - [ -0.0004840200000000, 0.0000993500000000, 0.0008433000000000 ] - [ -0.0001813600000000, -0.0000769500000000, -0.0004299600000000 ] - [ 0.0028275300000000, -0.0031353000000000, -0.0001150500000000 ] - [ 0.0008469100000000, 0.0020187900000000, 0.0065027500000000 ] - [ 0.0020726400000000, 0.0014345700000000, 0.0004434900000000 ] - [ 0.0000461300000000, 0.0002716800000000, 0.0002683700000000 ] - [ 0.0001449000000000, 0.0001283800000000, 0.0000355700000000 ] - [ 0.0001177000000000, 0.0015969600000000, -0.0053426800000000 ] - [ -0.0013743900000000, -0.0028081100000000, 0.0004570400000000 ] - [ 0.0001385600000000, -0.0032694700000000, 0.0055987900000000 ] - [ -0.0007110600000000, 0.0001221400000000, 0.0003230800000000 ] - [ 0.0002788000000000, -0.0000763400000000, -0.0004548600000000 ] - [ 0.0000131700000000, -0.0000169300000000, 0.0002117500000000 ] - [ -0.0000384700000000, -0.0002044800000000, -0.0000825100000000 ] - [ -0.0013064000000000, 0.0025623500000000, 0.0000544700000000 ] - [ 0.0000358500000000, -0.0001729900000000, -0.0000828500000000 ] - [ -0.0010298900000000, -0.0033195700000000, -0.0004732200000000 ] - [ 0.0021617200000000, 0.0035355000000000, -0.0002811400000000 ] - [ 0.0021717000000000, -0.0019055300000000, 0.0083062000000000 ] - [ -0.0003658700000000, -0.0000657100000000, 0.0000925700000000 ] - [ -0.0002282100000000, 0.0072231700000000, -0.0001772500000000 ] - [ -0.0005118300000000, 0.0055517100000000, 0.0019105500000000 ] - [ 0.0002698700000000, 0.0000437400000000, 0.0001122600000000 ] - [ 0.0006509200000000, -0.0000038200000000, -0.0002730900000000 ] - [ -0.0004078200000000, 0.0000631000000000, -0.0001684100000000 ] - [ 0.0000230000000000, -0.0000446500000000, 0.0001107600000000 ] - [ 0.0001046300000000, -0.0005248100000000, 0.0003724700000000 ] - [ 0.0040962800000000, 0.0007151000000000, -0.0062284100000000 ] - [ -0.0006430700000000, -0.0055340100000000, 0.0001555300000000 ] - [ -0.0001707900000000, 0.0003090600000000, 0.0004516500000000 ] - [ -0.0008800900000000, 0.0007483100000000, -0.0009038800000000 ] - [ -0.0526167800000000, 0.0124908500000000, 0.0083217800000000 ] - [ 0.0104335900000000, -0.0009973700000000, -0.0002501800000000 ] - [ -0.0007058900000000, 0.0018314900000000, 0.0005692400000000 ] - [ -0.0002574000000000, -0.0005460000000000, -0.0000729200000000 ] - [ 0.0021933300000000, 0.0017402800000000, 0.0079308500000000 ] - [ -0.1852324500000000, 0.0563417000000000, 0.0452941800000000 ] - [ 0.0006558800000000, -0.0004028100000000, -0.0012056500000000 ] - [ 0.0048584800000000, -0.0016298300000000, -0.0079329200000000 ] - [ 0.0003330700000000, 0.0000357300000000, 0.0002179800000000 ] - [ 0.0002191500000000, -0.0005260200000000, 0.0002348800000000 ] - [ 0.0001011500000000, -0.0004732200000000, -0.0003530500000000 ] - [ 0.0041882700000000, -0.0024860900000000, -0.0013427500000000 ] - [ 0.0008064200000000, -0.0003415200000000, 0.0027795000000000 ] - [ 0.0012837000000000, 0.0002777200000000, 0.0023125300000000 ] - [ -0.0018346200000000, 0.0005914400000000, 0.0024007600000000 ] - [ 0.0000073600000000, -0.0018567300000000, -0.0032820700000000 ] - [ -0.0008554100000000, -0.0002191900000000, 0.0004428100000000 ] - [ 0.0000352900000000, -0.0000229300000000, 0.0000306800000000 ] - [ 0.0001915800000000, 0.0002109000000000, -0.0004563500000000 ] - [ 0.0000275600000000, 0.0001237700000000, 0.0002718700000000 ] - [ 0.0018017200000000, -0.0002321800000000, 0.0010260200000000 ] - [ 0.0005243200000000, 0.0000016700000000, -0.0002194100000000 ] - [ -0.0009522400000000, 0.0002932100000000, -0.0055467400000000 ] - [ 0.0001616500000000, 0.0001188800000000, 0.0001328100000000 ] - [ -0.0001926500000000, -0.0004936800000000, -0.0005316400000000 ] - [ -0.0003081200000000, -0.0027387300000000, 0.0001575100000000 ] - [ 0.0008448600000000, 0.0013997600000000, 0.0002642000000000 ] - [ -0.0001403300000000, -0.0001060500000000, 0.0001411600000000 ] - [ -0.0003943400000000, -0.0026348900000000, -0.0002051500000000 ] - [ 0.0019974900000000, -0.0035089300000000, -0.0004315100000000 ] - [ -0.0001983600000000, -0.0004167300000000, -0.0001374900000000 ] - [ -0.0013574800000000, -0.0001546300000000, -0.0008975200000000 ] - [ -0.0005447300000000, 0.0027485000000000, -0.0006120700000000 ] - [ -0.0001170900000000, 0.0001256600000000, -0.0001708500000000 ] - [ -0.1829891400000000, -0.0878803800000000, -0.0091474000000000 ] - [ 0.0008835700000000, 0.0003545600000000, 0.0000293000000000 ] - [ 0.0002718000000000, -0.0000974600000000, 0.0001325600000000 ] - [ -0.0001474500000000, -0.0000182000000000, 0.0001463000000000 ] - [ -0.0001217300000000, -0.0001028200000000, -0.0001107400000000 ] - [ 0.0002311400000000, 0.0003002100000000, -0.0014319800000000 ] - [ -0.0007405500000000, 0.0001854400000000, 0.0000022600000000 ] - [ 0.0002378600000000, -0.0005097200000000, -0.0001370900000000 ] - [ 0.0004650500000000, -0.0000566500000000, -0.0000460400000000 ] - [ 0.0012610500000000, 0.0008110700000000, -0.0013595700000000 ] - [ 0.0001137300000000, 0.0005661900000000, -0.0001260300000000 ] - [ -0.0004820200000000, -0.0002670800000000, -0.0006515400000000 ] - [ -0.0002492800000000, -0.0005392500000000, -0.0002662200000000 ] - [ -0.0026886500000000, -0.0022341400000000, -0.0019367300000000 ] - [ -0.0003082000000000, -0.0003455900000000, -0.0008429700000000 ] - [ -0.0054566300000000, 0.0038634400000000, -0.0027505900000000 ] - [ -0.0001076900000000, 0.0005573900000000, 0.0000297100000000 ] - [ -0.0024343000000000, -0.0009105000000000, 0.0028390900000000 ] - [ -0.0008178800000000, -0.0012435900000000, -0.0000736600000000 ] - [ -0.0004932200000000, -0.0002853800000000, 0.0000348000000000 ] - [ -0.0002417800000000, -0.0003579300000000, -0.0001082600000000 ] - [ -0.0000334200000000, 0.0000169300000000, 0.0000948400000000 ] - [ -0.0005138900000000, -0.0001883700000000, 0.0000375200000000 ] - [ 0.0004533800000000, 0.0021192900000000, -0.0038482900000000 ] - [ 0.0008130600000000, -0.0000643700000000, -0.0001998100000000 ] - [ -0.0000512900000000, 0.0004030500000000, 0.0001421300000000 ] - [ 0.0063997200000000, 0.0041681600000000, -0.0027694700000000 ] - [ 0.0100624500000000, -0.0008340700000000, 0.0006362800000000 ] - [ 0.0001028000000000, -0.0003421200000000, -0.0000779100000000 ] - [ 0.0026681500000000, -0.0000899000000000, 0.0013729100000000 ] - [ -0.0011324200000000, 0.0007220700000000, 0.0010482200000000 ] - [ -0.0000104300000000, -0.0000700700000000, -0.0001955300000000 ] - [ 0.0000813800000000, -0.0000208200000000, -0.0001832400000000 ] - [ -0.0000703300000000, 0.0006372500000000, 0.0001008600000000 ] - [ 0.0007453300000000, -0.0002948100000000, 0.0001343300000000 ] - [ 0.0001715600000000, 0.0000690200000000, 0.0000178000000000 ] - [ -0.0003426800000000, 0.0000640100000000, 0.0001555800000000 ] - [ -0.0001364400000000, 0.0002353600000000, 0.0000911400000000 ] - [ 0.0001409000000000, 0.0000002000000000, 0.0004079600000000 ] - [ 0.0004292100000000, 0.0000314400000000, -0.0001092100000000 ] - [ -0.0000287000000000, -0.0001975000000000, 0.0003135800000000 ] - [ 0.0003345100000000, -0.0003383300000000, -0.0000337700000000 ] - [ 0.0097956200000000, 0.0007426100000000, 0.0011573100000000 ] - [ -0.0010998700000000, 0.0000889200000000, -0.0041239400000000 ] - [ -0.0004174800000000, 0.0002242300000000, -0.0006180000000000 ] - [ -0.0003949400000000, -0.0000855300000000, -0.0003830900000000 ] - [ 0.0003162700000000, -0.0004649400000000, -0.0005724100000000 ] - [ 0.0000201400000000, 0.0000618500000000, -0.0004044900000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002196100000000, 0.0014746700000000, 0.0004327800000000 ] - [ -0.0001162000000000, 0.0006060900000000, 0.0002747800000000 ] - [ 0.0002868400000000, -0.0007368600000000, 0.0004085900000000 ] - [ -0.0003644500000000, -0.0002435700000000, -0.0002726000000000 ] - [ -0.0002262700000000, -0.0000277400000000, -0.0005732700000000 ] - [ -0.0002136200000000, 0.0054498300000000, 0.0064883500000000 ] - [ -0.0000381500000000, 0.0004295500000000, -0.0003533000000000 ] - [ 0.0056524200000000, -0.0021410900000000, 0.0013989500000000 ] - [ 0.0006416600000000, 0.0004370900000000, 0.0006088600000000 ] - [ 0.0000604100000000, 0.0001924700000000, -0.0005192200000000 ] - [ 0.0000147600000000, 0.0008057800000000, 0.0004240400000000 ] - [ 0.0001066000000000, 0.0009997000000000, -0.0005811100000000 ] - [ 0.0004123200000000, 0.0003304600000000, 0.0001440300000000 ] - [ 0.0000312000000000, 0.0002990300000000, -0.0003989000000000 ] - [ 0.0000932100000000, 0.0005087700000000, 0.0006201000000000 ] - [ -0.0002764400000000, 0.0005146500000000, 0.0000793600000000 ] - [ -0.0013875400000000, 0.0054773200000000, -0.0074283100000000 ] - [ -0.0005043500000000, -0.0011040400000000, -0.0001100200000000 ] - [ -0.0003998400000000, 0.0009835200000000, -0.0000026900000000 ] - [ -0.0004516100000000, 0.0005496700000000, 0.0008190600000000 ] - [ 0.0003033600000000, 0.0007993800000000, -0.0002023700000000 ] - [ 0.0001169900000000, 0.0006208300000000, 0.0003270700000000 ] - [ -0.0030915400000000, -0.0036919800000000, -0.0018520800000000 ] - [ 0.0003946100000000, -0.0000565900000000, -0.0001106500000000 ] - [ 0.0012375500000000, 0.0030779300000000, 0.0003731900000000 ] - [ -0.0009140100000000, 0.0032689900000000, -0.0001518300000000 ] - [ 0.0020727500000000, -0.0143352200000000, 0.0007402300000000 ] - [ 0.0155892700000000, 0.0099816100000000, -0.0012989700000000 ] - [ -0.0000409600000000, 0.0009758200000000, -0.0000166900000000 ] - [ -0.0013875100000000, -0.0042609200000000, -0.0019679100000000 ] - [ 0.0000432600000000, 0.0030045100000000, 0.0004337900000000 ] - [ -0.0003582600000000, 0.0044797500000000, 0.0002558800000000 ] - [ -0.0003075900000000, 0.0023070400000000, 0.0002827100000000 ] - [ -0.0002996600000000, 0.0009560400000000, -0.0003328700000000 ] - [ -0.0001267400000000, 0.0009014200000000, 0.0002518300000000 ] - [ 0.0001480300000000, 0.0010427300000000, -0.0002859400000000 ] - [ 0.0004360900000000, -0.0049362800000000, 0.0028195600000000 ] - [ 0.0003120400000000, 0.0022502600000000, -0.0007707400000000 ] - [ -0.0106209000000000, 0.0061578500000000, -0.0009438200000000 ] - [ 0.0001955300000000, 0.0025004200000000, 0.0000709000000000 ] - [ 0.0020995800000000, 0.0338527000000000, -0.0079499500000000 ] - [ 0.0002810300000000, -0.0000224900000000, 0.0025541400000000 ] - [ -0.0000684700000000, -0.0012305200000000, 0.0006672400000000 ] - [ -0.0000875400000000, 0.0018260200000000, 0.0001493000000000 ] - [ -0.0233536000000000, -0.0192665300000000, 0.0036085500000000 ] - [ -0.0003799600000000, -0.0040020100000000, 0.0001661900000000 ] - [ 0.0000231000000000, -0.0002156500000000, 0.0001249000000000 ] - [ 0.0000739800000000, -0.0014945600000000, 0.0013929500000000 ] - [ -0.0003215200000000, 0.0006069900000000, 0.0000372100000000 ] - [ -0.0000364400000000, 0.0019491100000000, 0.0000663700000000 ] - [ -0.0011526000000000, -0.0010625700000000, -0.0005515000000000 ] - [ 0.0013511800000000, -0.0017977600000000, -0.0030075500000000 ] - [ -0.0014280000000000, -0.4322476900000000, -0.1074368000000000 ] - [ -0.0002079000000000, 0.0023962500000000, -0.0006081600000000 ] - [ -0.0001063200000000, -0.0005523000000000, 0.0001819400000000 ] - [ -0.0002792700000000, 0.0001960400000000, -0.0002666200000000 ] - [ 0.0001492100000000, -0.0002485400000000, -0.0001650200000000 ] - [ 0.0001669400000000, 0.0005279000000000, -0.0003334700000000 ] - [ -0.0001480600000000, -0.0013393700000000, -0.0000152100000000 ] - [ -0.0019264700000000, 0.0036707600000000, 0.0000566600000000 ] - [ -0.0003106900000000, -0.0000109500000000, 0.0006959000000000 ] - [ 0.0006961200000000, 0.0004618500000000, 0.0006608800000000 ] - [ 0.0000377800000000, 0.0010012400000000, 0.0000630800000000 ] - [ -0.0006389700000000, -0.0016164000000000, 0.0002040200000000 ] - [ 0.0002094000000000, 0.0004198400000000, -0.0010374600000000 ] - [ -0.0001035100000000, -0.0016197400000000, -0.0039342700000000 ] - [ 0.0005868400000000, -0.0004024400000000, 0.0028436100000000 ] - [ 0.0016073600000000, 0.0002194700000000, 0.0066924200000000 ] - [ -0.0007694700000000, 0.0019065700000000, 0.0017607900000000 ] - [ 0.0005740100000000, 0.0011514100000000, 0.0001177800000000 ] - [ -0.0004328400000000, -0.0015193600000000, 0.0044216600000000 ] - [ 0.0012991100000000, 0.0033611400000000, -0.0003432800000000 ] - [ -0.0021823100000000, -0.0009606200000000, -0.0023591600000000 ] - [ -0.0007365200000000, 0.0004174300000000, -0.0000556800000000 ] - [ -0.0002167100000000, 0.0006662100000000, 0.0004365700000000 ] - [ 0.0004426200000000, 0.0015765200000000, -0.0012226100000000 ] - [ -0.0000608400000000, 0.0007247600000000, -0.0000724800000000 ] - [ -0.0014290800000000, 0.0022862300000000, 0.0000077500000000 ] - [ 0.0002233800000000, -0.0015544900000000, 0.0002443800000000 ] - [ 0.0021368500000000, 0.0025392500000000, 0.0001563500000000 ] - [ -0.0011067200000000, -0.0021280300000000, 0.0005584500000000 ] - [ 0.0011186700000000, 0.0008639300000000, 0.0042979300000000 ] - [ -0.0006313800000000, -0.0011124700000000, 0.0002221800000000 ] - [ -0.0014886900000000, -0.0039438900000000, 0.0001751100000000 ] - [ -0.0059910000000000, -0.0012876600000000, 0.0040131100000000 ] - [ 0.0002441200000000, -0.0004442700000000, -0.0002804900000000 ] - [ 0.0006292600000000, -0.0008694300000000, -0.0000460500000000 ] - [ -0.0001015800000000, -0.0009246300000000, 0.0000279700000000 ] - [ -0.0000844100000000, -0.0003422400000000, 0.0004574900000000 ] - [ 0.0003898400000000, -0.0003863400000000, -0.0002384800000000 ] - [ -0.0011863900000000, 0.0030723300000000, 0.0051598700000000 ] - [ 0.0017238300000000, -0.0026911500000000, 0.0000000800000000 ] - [ -0.0002603200000000, -0.0001073400000000, 0.0006484400000000 ] - [ 0.0010668200000000, 0.0009825600000000, 0.0027865700000000 ] - [ -0.0089254400000000, 0.2262313100000000, 0.0829305300000000 ] - [ -0.0005347200000000, 0.0011027900000000, 0.0000017000000000 ] - [ -0.0033883500000000, -0.0030414000000000, 0.0007726700000000 ] - [ 0.0001073100000000, -0.0029963800000000, -0.0000285900000000 ] - [ -0.0019539900000000, -0.0003368200000000, -0.0044552700000000 ] - [ -0.0556460900000000, 0.0793528700000000, 0.0176270200000000 ] - [ 0.0001683700000000, 0.0001017400000000, -0.0013999800000000 ] - [ 0.0008280900000000, 0.0006440100000000, -0.0034694900000000 ] - [ 0.0002102800000000, -0.0011648500000000, -0.0001565500000000 ] - [ -0.0000716700000000, -0.0020748400000000, 0.0002340100000000 ] - [ 0.0001848600000000, -0.0009494500000000, -0.0002601800000000 ] - [ 0.0013383400000000, 0.0000002700000000, -0.0005016200000000 ] - [ -0.0007817300000000, 0.0004571800000000, -0.0023827600000000 ] - [ 0.0001328600000000, 0.0007531500000000, 0.0007088700000000 ] - [ -0.0013452900000000, 0.0025876700000000, 0.0005725900000000 ] - [ -0.0002949600000000, 0.0001684600000000, -0.0010535100000000 ] - [ -0.0001310900000000, -0.0022648600000000, 0.0014125100000000 ] - [ 0.0007921500000000, -0.0012317300000000, -0.0001943200000000 ] - [ 0.0000948600000000, -0.0005414400000000, -0.0003873900000000 ] - [ 0.0001100600000000, -0.0008191600000000, 0.0004312800000000 ] - [ -0.0008877600000000, -0.0002695600000000, 0.0002868700000000 ] - [ -0.0002835200000000, -0.0007800700000000, -0.0002298400000000 ] - [ 0.0015244400000000, 0.0046781900000000, 0.0016427600000000 ] - [ 0.0000978200000000, -0.0006994800000000, 0.0000530600000000 ] - [ -0.0001397900000000, -0.0003673400000000, -0.0002499300000000 ] - [ 0.0077022000000000, -0.0049108200000000, 0.0004620700000000 ] - [ -0.0025844800000000, -0.0007833800000000, 0.0000040400000000 ] - [ -0.0000776300000000, -0.0008994700000000, 0.0001717300000000 ] - [ 0.0001187400000000, -0.0025932100000000, -0.0003871100000000 ] - [ 0.0012495700000000, -0.0016950600000000, -0.0002072500000000 ] - [ -0.0003572000000000, -0.0010069400000000, -0.0000460400000000 ] - [ -0.0013893100000000, 0.0010001600000000, -0.0038089800000000 ] - [ -0.0000938900000000, -0.0031373000000000, 0.0002369500000000 ] - [ -0.0000001400000000, -0.0009233700000000, 0.0002793500000000 ] - [ 0.0769873200000000, 0.1067162200000000, 0.0065898200000000 ] - [ 0.0003636600000000, -0.0012102600000000, -0.0001213000000000 ] - [ -0.0001332600000000, -0.0006510000000000, 0.0004488800000000 ] - [ -0.0005592300000000, -0.0008164800000000, 0.0003929300000000 ] - [ -0.0001332000000000, -0.0006058600000000, 0.0000037100000000 ] - [ 0.0003470500000000, 0.0021871500000000, -0.0004190500000000 ] - [ 0.0000650700000000, -0.0015810300000000, 0.0002558000000000 ] - [ 0.0030803700000000, -0.0034519100000000, -0.0001368800000000 ] - [ 0.0007408400000000, -0.0007071600000000, 0.0000959600000000 ] - [ 0.0006623400000000, 0.0005607100000000, -0.0008830300000000 ] - [ 0.0001015300000000, -0.0001438900000000, -0.0002199300000000 ] - [ 0.0000610800000000, 0.0008141800000000, -0.0007664500000000 ] - [ -0.0000259900000000, -0.0004531500000000, 0.0001735300000000 ] - [ 0.0023788600000000, 0.0000666900000000, -0.0061065800000000 ] - [ 0.0000073000000000, 0.0008071500000000, -0.0005016900000000 ] - [ -0.0032921600000000, 0.0028908800000000, 0.0047011500000000 ] - [ -0.0001952800000000, 0.0014551800000000, -0.0000372200000000 ] - [ 0.0012219800000000, 0.0025094500000000, -0.0025225500000000 ] - [ -0.0004615400000000, -0.0031772000000000, -0.0055996200000000 ] - [ -0.0005327900000000, -0.0010280300000000, 0.0000181700000000 ] - [ -0.0002007900000000, -0.0008949300000000, -0.0003121200000000 ] - [ 0.0001306600000000, -0.0008931100000000, -0.0006302600000000 ] - [ 0.0002688700000000, -0.0020929200000000, -0.0014223700000000 ] - [ 0.0006889100000000, 0.0002655800000000, 0.0005515700000000 ] - [ -0.0000337900000000, -0.0009810200000000, -0.0008749200000000 ] - [ -0.0002092500000000, -0.0010783500000000, 0.0000865700000000 ] - [ 0.0024031100000000, 0.0026638800000000, -0.0007424600000000 ] - [ -0.0013348300000000, 0.0046326900000000, 0.0016240600000000 ] - [ 0.0001465800000000, -0.0009334400000000, -0.0001923100000000 ] - [ 0.0009471800000000, 0.0009171300000000, 0.0011145500000000 ] - [ 0.0003594600000000, -0.0001897400000000, 0.0045153000000000 ] - [ -0.0000147100000000, 0.0010796500000000, -0.0005982600000000 ] - [ 0.0001296900000000, -0.0007854800000000, 0.0004242200000000 ] - [ -0.0000533300000000, -0.0003856600000000, 0.0002014600000000 ] - [ 0.0025935500000000, -0.0017696200000000, -0.0000086400000000 ] - [ 0.0001357200000000, -0.0008918700000000, -0.0009030100000000 ] - [ 0.0002463100000000, -0.0009780200000000, -0.0002847900000000 ] - [ -0.0000378900000000, -0.0004034700000000, 0.0001791700000000 ] - [ -0.0001673600000000, -0.0003377500000000, -0.0000024800000000 ] - [ 0.0003496800000000, -0.0014116500000000, -0.0000104700000000 ] - [ -0.0000397700000000, -0.0000158500000000, 0.0000921300000000 ] - [ 0.0003249700000000, 0.0008891400000000, -0.0003016900000000 ] - [ 0.0009516600000000, 0.0035237400000000, 0.0005901500000000 ] - [ -0.0005913200000000, 0.0016929300000000, -0.0016397900000000 ] - [ -0.0002480800000000, 0.0011185000000000, -0.0005975800000000 ] - [ -0.0003340900000000, -0.0007812400000000, 0.0004358400000000 ] - [ 0.0001386100000000, 0.0004026900000000, -0.0001826900000000 ] - [ -0.0001529300000000, -0.0012582800000000, 0.0000996300000000 ]- atom: 53 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000289700000000, -0.0016876100000000, -0.0002474700000000 ] - [ -0.0000108300000000, -0.0001635100000000, -0.0003297500000000 ] - [ 0.0003297300000000, 0.0007244200000000, -0.0005508100000000 ] - [ 0.0004550400000000, -0.0004218800000000, 0.0005510700000000 ] - [ 0.0001359400000000, -0.0006351500000000, 0.0002938500000000 ] - [ 0.0000177900000000, -0.0056929800000000, -0.0067532600000000 ] - [ -0.0001528400000000, -0.0002152100000000, 0.0001693000000000 ] - [ -0.0047744400000000, 0.0024512800000000, -0.0011751800000000 ] - [ -0.0005834300000000, -0.0005403600000000, -0.0007210100000000 ] - [ -0.0001191500000000, -0.0000863200000000, 0.0006290300000000 ] - [ 0.0000766800000000, -0.0001402200000000, -0.0001428200000000 ] - [ 0.0000213900000000, -0.0014384200000000, 0.0006357300000000 ] - [ 0.0004547300000000, -0.0006653600000000, 0.0000732000000000 ] - [ 0.0000273900000000, -0.0001954000000000, 0.0002836300000000 ] - [ -0.0001535000000000, -0.0006102900000000, -0.0005060600000000 ] - [ -0.0003410800000000, -0.0005236300000000, 0.0000658300000000 ] - [ 0.0012769000000000, -0.0059787200000000, 0.0074736900000000 ] - [ -0.0003631900000000, 0.0007656700000000, -0.0001080100000000 ] - [ -0.0004683100000000, -0.0006461400000000, -0.0002150300000000 ] - [ 0.0005793400000000, -0.0001098100000000, -0.0007620200000000 ] - [ 0.0003150700000000, -0.0007883200000000, 0.0000574200000000 ] - [ -0.0002097100000000, 0.0000473500000000, -0.0006038800000000 ] - [ 0.0024646300000000, 0.0036820500000000, 0.0019809300000000 ] - [ -0.0002026900000000, 0.0002683800000000, 0.0002934800000000 ] - [ -0.0007109700000000, -0.0033890900000000, 0.0005483300000000 ] - [ 0.0009812900000000, -0.0037328200000000, 0.0004391000000000 ] - [ -0.0024600500000000, 0.0132012700000000, -0.0000589500000000 ] - [ -0.0162011900000000, -0.0102838300000000, 0.0003570500000000 ] - [ -0.0000291900000000, -0.0004983200000000, -0.0002686600000000 ] - [ 0.0015675500000000, 0.0045540800000000, 0.0010900200000000 ] - [ -0.0002275400000000, -0.0026795100000000, 0.0004378000000000 ] - [ 0.0004746200000000, -0.0041137300000000, -0.0001702200000000 ] - [ -0.0000648000000000, -0.0012797600000000, 0.0003833700000000 ] - [ -0.0002250900000000, -0.0006319100000000, -0.0005873800000000 ] - [ 0.0000107000000000, -0.0012763200000000, -0.0003399000000000 ] - [ 0.0000372100000000, -0.0013555100000000, -0.0005855100000000 ] - [ -0.0000367600000000, 0.0051119100000000, -0.0029038500000000 ] - [ 0.0000570700000000, -0.0032712100000000, 0.0001071000000000 ] - [ 0.0105818300000000, -0.0065760600000000, 0.0006486200000000 ] - [ 0.0002050200000000, -0.0026794500000000, -0.0001582000000000 ] - [ -0.0022345100000000, -0.0332479500000000, 0.0078929000000000 ] - [ 0.0002418800000000, 0.0003395200000000, -0.0016306100000000 ] - [ 0.0001857900000000, 0.0008559300000000, -0.0005737900000000 ] - [ -0.0003116200000000, -0.0016391400000000, -0.0000640900000000 ] - [ 0.0229412700000000, 0.0189822500000000, -0.0035195700000000 ] - [ 0.0007518000000000, 0.0050092400000000, -0.0008277600000000 ] - [ 0.0000465600000000, 0.0006863400000000, 0.0001611000000000 ] - [ -0.0002602900000000, 0.0011801300000000, -0.0005191600000000 ] - [ 0.0000055100000000, -0.0010832700000000, -0.0000910900000000 ] - [ 0.0001079100000000, -0.0015484500000000, 0.0001024100000000 ] - [ 0.0015988500000000, 0.0011274800000000, -0.0001427200000000 ] - [ -0.0010546300000000, 0.0016598800000000, 0.0035371200000000 ] - [ 0.0063763900000000, 0.4191373600000000, 0.1001087300000000 ] - [ -0.0002126600000000, -0.0017327500000000, 0.0008468900000000 ] - [ 0.0004212300000000, 0.0000775400000000, -0.0001281300000000 ] - [ 0.0005792000000000, -0.0009760900000000, -0.0001897300000000 ] - [ -0.0001165500000000, 0.0008620000000000, -0.0000502900000000 ] - [ 0.0002534300000000, -0.0011872900000000, 0.0000935400000000 ] - [ 0.0000688100000000, 0.0017242600000000, -0.0001531700000000 ] - [ 0.0018942200000000, -0.0042615700000000, 0.0001590800000000 ] - [ 0.0000161800000000, 0.0001433700000000, -0.0012347800000000 ] - [ -0.0004004700000000, -0.0003270400000000, -0.0001165300000000 ] - [ -0.0000706800000000, -0.0003886400000000, 0.0001530800000000 ] - [ 0.0002191400000000, 0.0009513700000000, 0.0000352900000000 ] - [ -0.0005015500000000, -0.0005510700000000, 0.0004901300000000 ] - [ 0.0003482500000000, 0.0013667200000000, 0.0037776900000000 ] - [ -0.0008296100000000, 0.0006650000000000, -0.0026740600000000 ] - [ -0.0013034900000000, 0.0005628200000000, -0.0071489900000000 ] - [ 0.0004684600000000, -0.0011269900000000, -0.0013080300000000 ] - [ -0.0003198300000000, -0.0008904000000000, -0.0002581600000000 ] - [ -0.0000190100000000, 0.0014457900000000, -0.0037142200000000 ] - [ -0.0010106500000000, -0.0028846700000000, 0.0003994900000000 ] - [ 0.0018729900000000, 0.0001835000000000, 0.0028081300000000 ] - [ 0.0002839200000000, -0.0003471300000000, 0.0007471700000000 ] - [ 0.0006669800000000, -0.0007351000000000, -0.0011289400000000 ] - [ -0.0006966500000000, -0.0018382800000000, 0.0013682900000000 ] - [ -0.0000109400000000, -0.0011194000000000, -0.0000962000000000 ] - [ 0.0014843000000000, -0.0028978600000000, -0.0002266300000000 ] - [ -0.0001521700000000, 0.0011528500000000, -0.0000757000000000 ] - [ -0.0024467900000000, -0.0020365500000000, -0.0002047800000000 ] - [ 0.0015902300000000, 0.0029023600000000, -0.0004869900000000 ] - [ -0.0012518600000000, -0.0008895100000000, -0.0034393600000000 ] - [ 0.0000781700000000, 0.0009400800000000, 0.0002505900000000 ] - [ 0.0012526700000000, 0.0047340700000000, -0.0004178100000000 ] - [ 0.0060249100000000, 0.0011353500000000, -0.0033268000000000 ] - [ 0.0002410400000000, 0.0005143100000000, 0.0004945500000000 ] - [ -0.0001388700000000, 0.0007606700000000, -0.0002068100000000 ] - [ -0.0004603000000000, 0.0010105900000000, -0.0002340700000000 ] - [ -0.0003062500000000, 0.0002713400000000, -0.0000444100000000 ] - [ 0.0000847900000000, -0.0004175600000000, 0.0003037200000000 ] - [ 0.0014139800000000, -0.0029257300000000, -0.0048582500000000 ] - [ -0.0020298600000000, 0.0037862500000000, 0.0003510100000000 ] - [ -0.0002208400000000, 0.0006178500000000, 0.0001879100000000 ] - [ -0.0004900700000000, -0.0010093700000000, -0.0022027500000000 ] - [ 0.0072244400000000, -0.2125827500000000, -0.0748932900000000 ] - [ 0.0007505200000000, -0.0022122900000000, -0.0003686300000000 ] - [ 0.0036538300000000, 0.0038064300000000, -0.0005269900000000 ] - [ 0.0000440100000000, 0.0018173900000000, -0.0003096900000000 ] - [ 0.0015646700000000, 0.0003978700000000, 0.0048431200000000 ] - [ 0.0564353900000000, -0.0781266900000000, -0.0181205300000000 ] - [ -0.0000362700000000, -0.0000827900000000, 0.0005636700000000 ] - [ -0.0013760400000000, -0.0006258100000000, 0.0028512000000000 ] - [ 0.0003605700000000, 0.0011902400000000, 0.0007270000000000 ] - [ -0.0001473700000000, 0.0009459200000000, 0.0001338300000000 ] - [ 0.0000892700000000, -0.0001334300000000, -0.0000876500000000 ] - [ -0.0015684100000000, 0.0000895700000000, 0.0006909800000000 ] - [ 0.0002959400000000, -0.0003857600000000, 0.0021599100000000 ] - [ 0.0003495900000000, -0.0002420400000000, -0.0015386300000000 ] - [ 0.0015781600000000, -0.0026743800000000, -0.0007614000000000 ] - [ -0.0000404000000000, 0.0003676500000000, 0.0016264000000000 ] - [ -0.0002034400000000, 0.0017259800000000, -0.0008269700000000 ] - [ -0.0002254800000000, 0.0011406500000000, 0.0004023900000000 ] - [ 0.0002367000000000, 0.0010827600000000, -0.0001982500000000 ] - [ -0.0000417500000000, 0.0009424600000000, 0.0002324900000000 ] - [ 0.0004061600000000, -0.0002403100000000, 0.0005487000000000 ] - [ 0.0005175600000000, 0.0008668000000000, 0.0000362000000000 ] - [ -0.0009559800000000, -0.0045872700000000, -0.0014287100000000 ] - [ 0.0002276800000000, 0.0008374400000000, 0.0002793200000000 ] - [ -0.0001331100000000, -0.0004106400000000, 0.0000061700000000 ] - [ -0.0073417000000000, 0.0047301000000000, -0.0001359500000000 ] - [ 0.0020981400000000, 0.0015769800000000, -0.0000701400000000 ] - [ -0.0001973600000000, 0.0006573900000000, 0.0001604700000000 ] - [ -0.0004519600000000, 0.0024513100000000, 0.0000556900000000 ] - [ -0.0010397000000000, 0.0020050800000000, 0.0003205000000000 ] - [ -0.0000284700000000, 0.0001400600000000, -0.0000143500000000 ] - [ 0.0011563000000000, -0.0011363100000000, 0.0035205700000000 ] - [ 0.0000318700000000, 0.0030153600000000, -0.0009012000000000 ] - [ -0.0002309400000000, 0.0010591000000000, -0.0005596500000000 ] - [ -0.0801520200000000, -0.1079080000000000, -0.0067149600000000 ] - [ 0.0006027100000000, 0.0017937500000000, -0.0000106400000000 ] - [ -0.0003524200000000, 0.0005773900000000, -0.0006631000000000 ] - [ 0.0003220300000000, 0.0007254600000000, -0.0001984000000000 ] - [ -0.0000815600000000, 0.0002755700000000, -0.0001209100000000 ] - [ -0.0001955800000000, -0.0010072300000000, 0.0000793900000000 ] - [ -0.0010047000000000, 0.0017196100000000, -0.0003788300000000 ] - [ -0.0027949400000000, 0.0045225100000000, -0.0002122700000000 ] - [ 0.0002023500000000, 0.0005623700000000, 0.0000276300000000 ] - [ -0.0002684500000000, -0.0006246100000000, 0.0004658900000000 ] - [ 0.0001172100000000, 0.0012680200000000, -0.0001478500000000 ] - [ -0.0009984800000000, -0.0009511600000000, 0.0006431300000000 ] - [ -0.0002498600000000, -0.0006340800000000, 0.0001739100000000 ] - [ -0.0029448900000000, -0.0001609700000000, 0.0059014500000000 ] - [ -0.0000765400000000, -0.0006835400000000, -0.0001626800000000 ] - [ 0.0027220700000000, -0.0026992900000000, -0.0041978200000000 ] - [ -0.0000226300000000, -0.0003300900000000, 0.0004049400000000 ] - [ -0.0007288700000000, -0.0024022300000000, 0.0022622500000000 ] - [ 0.0002355600000000, 0.0030607700000000, 0.0060274900000000 ] - [ -0.0004329100000000, 0.0004389500000000, 0.0001134300000000 ] - [ -0.0002714000000000, 0.0000929800000000, 0.0002464500000000 ] - [ 0.0000991500000000, 0.0007539100000000, 0.0009120300000000 ] - [ -0.0000357100000000, 0.0019625600000000, 0.0010006100000000 ] - [ -0.0004537900000000, -0.0001355200000000, -0.0009740500000000 ] - [ 0.0005158000000000, 0.0004673900000000, 0.0000385800000000 ] - [ 0.0005955900000000, 0.0019415500000000, -0.0000275700000000 ] - [ -0.0028790300000000, -0.0027580900000000, 0.0009899500000000 ] - [ 0.0010632400000000, -0.0043749600000000, -0.0012861900000000 ] - [ 0.0001234700000000, 0.0001571100000000, 0.0004354200000000 ] - [ -0.0004572900000000, -0.0009816500000000, -0.0008917600000000 ] - [ -0.0000288500000000, -0.0003581200000000, -0.0050914400000000 ] - [ 0.0002921500000000, -0.0013161800000000, 0.0002656200000000 ] - [ 0.0000027300000000, 0.0007655900000000, -0.0012553400000000 ] - [ -0.0000976000000000, 0.0015615300000000, 0.0001376200000000 ] - [ -0.0027980700000000, 0.0020916200000000, -0.0001083800000000 ] - [ 0.0002561800000000, 0.0009570600000000, 0.0004852700000000 ] - [ -0.0007322600000000, 0.0010815200000000, 0.0005356000000000 ] - [ -0.0001961900000000, 0.0005393000000000, 0.0002487000000000 ] - [ 0.0000349300000000, 0.0003547400000000, 0.0008332700000000 ] - [ -0.0000748700000000, 0.0016476100000000, -0.0003210400000000 ] - [ 0.0002566300000000, -0.0003174500000000, 0.0000244200000000 ] - [ 0.0006393300000000, -0.0014726500000000, 0.0001691000000000 ] - [ -0.0019034200000000, -0.0029188400000000, -0.0004545000000000 ] - [ 0.0011362600000000, -0.0018559000000000, 0.0011549200000000 ] - [ -0.0000774400000000, -0.0009789100000000, 0.0002639500000000 ] - [ -0.0002386900000000, 0.0007528900000000, -0.0010138900000000 ] - [ 0.0002458000000000, -0.0012649600000000, 0.0002420100000000 ] - [ 0.0007079200000000, 0.0014326800000000, -0.0005729700000000 ]- atom: 53 displacement: [ -0.0035230240541542, 0.0000000000000000, 0.0093588621911988 ] forces: - [ 0.0002329900000000, 0.0005370500000000, 0.0002298000000000 ] - [ -0.0000883900000000, 0.0005662100000000, 0.0002388900000000 ] - [ -0.0002066200000000, -0.0001292100000000, 0.0005557000000000 ] - [ 0.0000764700000000, -0.0004337100000000, -0.0000223800000000 ] - [ 0.0000451500000000, -0.0001405000000000, -0.0003545700000000 ] - [ 0.0031762700000000, 0.0054080400000000, 0.0029622300000000 ] - [ -0.0001286600000000, -0.0000640700000000, 0.0000434400000000 ] - [ 0.0034587400000000, -0.0010908600000000, -0.0012944100000000 ] - [ 0.0003024200000000, 0.0001009600000000, 0.0001948800000000 ] - [ -0.0008533200000000, -0.0000310800000000, -0.0001541800000000 ] - [ -0.0000486600000000, 0.0005357900000000, 0.0002573500000000 ] - [ 0.0001313400000000, 0.0000523800000000, -0.0003460000000000 ] - [ 0.0004106900000000, -0.0000370700000000, 0.0001554300000000 ] - [ -0.0000379200000000, -0.0000198600000000, -0.0002269200000000 ] - [ 0.0000877100000000, -0.0000095100000000, 0.0000773000000000 ] - [ -0.0003284100000000, 0.0001292200000000, 0.0001313100000000 ] - [ 0.0032931500000000, -0.0057641000000000, 0.0010164300000000 ] - [ -0.0009167600000000, -0.0003686500000000, 0.0003533900000000 ] - [ -0.0004025800000000, 0.0003454000000000, -0.0001955900000000 ] - [ -0.0001904400000000, 0.0005169500000000, 0.0005982400000000 ] - [ 0.0003657000000000, 0.0002880100000000, -0.0002120600000000 ] - [ -0.0008793000000000, 0.0006114500000000, 0.0000557600000000 ] - [ 0.0012279400000000, -0.0006001800000000, -0.0014110200000000 ] - [ 0.0000210300000000, -0.0003834900000000, 0.0004643200000000 ] - [ 0.0006159700000000, 0.0006982700000000, 0.0002148300000000 ] - [ -0.0004747300000000, 0.0012640100000000, -0.0002463800000000 ] - [ -0.0152470100000000, -0.0139384400000000, 0.0110954100000000 ] - [ -0.0092905400000000, -0.0051759900000000, -0.0011399300000000 ] - [ -0.0000166300000000, 0.0003728000000000, 0.0001578400000000 ] - [ -0.0024179800000000, -0.0013154300000000, -0.0020882400000000 ] - [ -0.0014060500000000, 0.0013570400000000, 0.0000061600000000 ] - [ 0.0022733700000000, 0.0013494300000000, -0.0008878000000000 ] - [ -0.0001661800000000, 0.0009281700000000, 0.0005087400000000 ] - [ -0.0002620500000000, 0.0004593500000000, -0.0002073000000000 ] - [ -0.0001582300000000, 0.0000006400000000, 0.0003511900000000 ] - [ 0.0001758400000000, 0.0000527900000000, -0.0002454700000000 ] - [ 0.0018705500000000, -0.0003562400000000, 0.0039483000000000 ] - [ 0.0001315700000000, -0.0000859000000000, -0.0003098400000000 ] - [ -0.0156477000000000, 0.0091427200000000, -0.0012373800000000 ] - [ 0.0002723100000000, 0.0010566600000000, 0.0000475100000000 ] - [ 0.0030859600000000, 0.0085858800000000, -0.0055474800000000 ] - [ 0.0003408300000000, 0.0002004100000000, 0.0021551500000000 ] - [ -0.0001313600000000, -0.0004119500000000, 0.0030112400000000 ] - [ -0.0001225100000000, 0.0005670500000000, 0.0001728000000000 ] - [ -0.0242525400000000, 0.0079128400000000, 0.0123251400000000 ] - [ 0.0017976600000000, 0.0005345300000000, 0.0031969500000000 ] - [ 0.0000537900000000, -0.0001940700000000, 0.0017588700000000 ] - [ 0.0004545900000000, -0.0004417400000000, 0.0008030700000000 ] - [ -0.0002044400000000, -0.0000496200000000, 0.0000223000000000 ] - [ -0.0001701800000000, 0.0007680600000000, 0.0000587600000000 ] - [ -0.0022639400000000, -0.0014719200000000, -0.0004380500000000 ] - [ 0.0016681900000000, -0.0017773400000000, -0.0037801500000000 ] - [ 0.2186665400000000, -0.0952360700000000, -0.2222357400000000 ] - [ 0.0000035400000000, 0.0010127300000000, -0.0002024900000000 ] - [ 0.0002037700000000, 0.0001429200000000, 0.0001815400000000 ] - [ 0.0000426400000000, -0.0003109800000000, -0.0003365300000000 ] - [ 0.0001345600000000, -0.0000845200000000, 0.0000434100000000 ] - [ 0.0001235600000000, -0.0001462600000000, -0.0000939900000000 ] - [ -0.0049211900000000, -0.0004346200000000, -0.0004258000000000 ] - [ -0.0010486600000000, 0.0021834200000000, -0.0000041300000000 ] - [ -0.0014963400000000, 0.0009197300000000, 0.0006073100000000 ] - [ 0.0000785900000000, 0.0001313100000000, 0.0004128500000000 ] - [ -0.0000187000000000, 0.0003059100000000, 0.0001288000000000 ] - [ -0.0009809300000000, -0.0000988400000000, 0.0008373500000000 ] - [ -0.0000596500000000, 0.0000576400000000, -0.0006489000000000 ] - [ 0.0041331600000000, -0.0058862700000000, -0.0006967600000000 ] - [ -0.0001570100000000, 0.0016130300000000, 0.0036584000000000 ] - [ 0.0016632800000000, 0.0011002500000000, 0.0021747000000000 ] - [ -0.0002855200000000, 0.0009019300000000, 0.0008536700000000 ] - [ 0.0002635200000000, 0.0004066600000000, 0.0001024900000000 ] - [ 0.0012396300000000, 0.0012385400000000, -0.0015869900000000 ] - [ -0.0002098500000000, -0.0003743200000000, 0.0001141200000000 ] - [ -0.0028197600000000, -0.0032393600000000, 0.0014398200000000 ] - [ -0.0006532400000000, 0.0001856000000000, 0.0001877700000000 ] - [ 0.0001606400000000, 0.0001610200000000, -0.0000842700000000 ] - [ -0.0000061800000000, 0.0001589600000000, 0.0000303900000000 ] - [ -0.0000053800000000, 0.0000451900000000, -0.0000662900000000 ] - [ -0.0008150200000000, 0.0021082600000000, -0.0000017400000000 ] - [ 0.0005675300000000, -0.0004973300000000, 0.0001648300000000 ] - [ 0.0003045600000000, -0.0014068700000000, -0.0002483700000000 ] - [ 0.0009114400000000, 0.0014441400000000, 0.0001155800000000 ] - [ 0.0005918700000000, -0.0004959000000000, 0.0065137700000000 ] - [ -0.0004090700000000, -0.0003598500000000, 0.0001276400000000 ] - [ -0.0004907700000000, 0.0023291900000000, 0.0002494200000000 ] - [ -0.0024581700000000, 0.0030770400000000, 0.0032277800000000 ] - [ 0.0002311600000000, -0.0000993000000000, -0.0001092300000000 ] - [ 0.0005959000000000, -0.0002619400000000, -0.0001696200000000 ] - [ -0.0002764900000000, -0.0002152100000000, -0.0000726700000000 ] - [ -0.0000513500000000, -0.0000909200000000, 0.0001777800000000 ] - [ 0.0001374300000000, -0.0005534000000000, -0.0000438000000000 ] - [ 0.0016999100000000, 0.0015480200000000, 0.0000982400000000 ] - [ -0.0001750300000000, -0.0038528200000000, 0.0004914600000000 ] - [ -0.0002136600000000, 0.0002343300000000, 0.0005091000000000 ] - [ -0.0011856800000000, 0.0015660000000000, -0.0012666800000000 ] - [ -0.0234252700000000, 0.0730301100000000, 0.0802797200000000 ] - [ 0.0056530400000000, 0.0000984200000000, -0.0000258900000000 ] - [ -0.0023063800000000, -0.0002279400000000, 0.0007873100000000 ] - [ -0.0001024600000000, -0.0013533500000000, -0.0000146300000000 ] - [ 0.0004704700000000, 0.0007958600000000, 0.0033945200000000 ] - [ -0.1091295100000000, 0.0384401800000000, 0.0784553900000000 ] - [ 0.0004398100000000, -0.0002572400000000, -0.0016163900000000 ] - [ 0.0017110400000000, -0.0004994100000000, -0.0040476800000000 ] - [ 0.0002927000000000, -0.0003531500000000, 0.0000756100000000 ] - [ 0.0000771200000000, -0.0010449500000000, 0.0002517400000000 ] - [ 0.0001848800000000, -0.0004656500000000, -0.0004050700000000 ] - [ 0.0028139700000000, -0.0014459300000000, -0.0009107900000000 ] - [ -0.0004234400000000, -0.0003227300000000, 0.0001756900000000 ] - [ 0.0002847500000000, 0.0006503800000000, 0.0009721300000000 ] - [ -0.0021705300000000, 0.0014090300000000, 0.0003034100000000 ] - [ 0.0001200500000000, -0.0010797300000000, -0.0020705400000000 ] - [ -0.0005636100000000, -0.0002085500000000, 0.0007535200000000 ] - [ 0.0003606900000000, -0.0004544500000000, -0.0000402500000000 ] - [ 0.0001740200000000, 0.0000113200000000, -0.0004981800000000 ] - [ 0.0000694300000000, -0.0001149500000000, 0.0002861400000000 ] - [ 0.0004210000000000, -0.0003815600000000, 0.0006732700000000 ] - [ 0.0002067800000000, -0.0002557500000000, -0.0002055600000000 ] - [ 0.0022985300000000, 0.0020214100000000, -0.0034331800000000 ] - [ 0.0001671700000000, -0.0000101500000000, 0.0000999400000000 ] - [ -0.0000671300000000, -0.0005618100000000, -0.0004842500000000 ] - [ 0.0033706500000000, -0.0037562400000000, 0.0007299900000000 ] - [ -0.0005538500000000, 0.0007073800000000, 0.0001856800000000 ] - [ -0.0001540600000000, -0.0003171500000000, 0.0001238900000000 ] - [ -0.0003104500000000, -0.0023331000000000, -0.0001964700000000 ] - [ 0.0014423100000000, -0.0030475100000000, -0.0004270100000000 ] - [ -0.0001898200000000, -0.0005574800000000, -0.0001517200000000 ] - [ -0.0011740800000000, -0.0000800900000000, -0.0020002800000000 ] - [ -0.0003452000000000, 0.0004065600000000, -0.0002412900000000 ] - [ -0.0000713400000000, -0.0002127900000000, 0.0000798600000000 ] - [ -0.0565600300000000, -0.0238635400000000, 0.0447020800000000 ] - [ 0.0006788300000000, -0.0001842200000000, -0.0000033800000000 ] - [ 0.0000428300000000, -0.0002462900000000, 0.0002747900000000 ] - [ -0.0002736600000000, -0.0002435900000000, 0.0002216700000000 ] - [ -0.0001535300000000, -0.0000862100000000, -0.0001675300000000 ] - [ 0.0005186500000000, 0.0006631300000000, -0.0014007400000000 ] - [ -0.0004375500000000, -0.0004255800000000, 0.0001185700000000 ] - [ 0.0016098900000000, -0.0015831200000000, -0.0000990100000000 ] - [ 0.0005790800000000, -0.0002433200000000, -0.0000331400000000 ] - [ 0.0008958300000000, 0.0006086100000000, -0.0012302100000000 ] - [ 0.0000609000000000, 0.0003781200000000, -0.0002141000000000 ] - [ -0.0001090300000000, -0.0000537900000000, -0.0008280800000000 ] - [ -0.0001217500000000, -0.0004345300000000, -0.0001628900000000 ] - [ -0.0009875600000000, -0.0014957300000000, -0.0023248800000000 ] - [ -0.0000139300000000, -0.0004111600000000, -0.0011085900000000 ] - [ -0.0026657400000000, 0.0063172300000000, -0.0029907900000000 ] - [ -0.0003994100000000, 0.0007926300000000, -0.0001447400000000 ] - [ -0.0018702300000000, -0.0004960500000000, -0.0002073700000000 ] - [ -0.0006242100000000, -0.0013655600000000, -0.0016041700000000 ] - [ -0.0005396400000000, -0.0004755700000000, -0.0000043200000000 ] - [ -0.0002427600000000, -0.0005211400000000, -0.0002153200000000 ] - [ 0.0000394500000000, -0.0003073300000000, -0.0002077700000000 ] - [ -0.0001621300000000, -0.0010353500000000, -0.0004144200000000 ] - [ 0.0011072100000000, 0.0017182600000000, -0.0023138600000000 ] - [ 0.0004439900000000, -0.0004184300000000, -0.0004420700000000 ] - [ -0.0000826800000000, -0.0000867300000000, 0.0001502700000000 ] - [ 0.0039012800000000, 0.0029733400000000, -0.0015998700000000 ] - [ 0.0052531300000000, 0.0010806200000000, 0.0012063500000000 ] - [ 0.0001506300000000, -0.0005103500000000, -0.0001527300000000 ] - [ 0.0014689100000000, 0.0004582100000000, 0.0012673800000000 ] - [ -0.0009196300000000, 0.0019370800000000, 0.0031313300000000 ] - [ -0.0003281200000000, 0.0000695500000000, -0.0006635400000000 ] - [ 0.0000718600000000, -0.0002264100000000, 0.0000998400000000 ] - [ -0.0000402900000000, 0.0003759900000000, 0.0001128900000000 ] - [ 0.0014535000000000, -0.0008364800000000, 0.0000792600000000 ] - [ 0.0001484600000000, -0.0002646300000000, -0.0003470500000000 ] - [ -0.0001731200000000, -0.0002423200000000, -0.0000153400000000 ] - [ -0.0000809700000000, 0.0001183800000000, 0.0001573000000000 ] - [ 0.0000101600000000, -0.0001053400000000, 0.0001839600000000 ] - [ 0.0003653200000000, -0.0004438900000000, -0.0000537800000000 ] - [ -0.0000532000000000, -0.0000738500000000, 0.0000310100000000 ] - [ -0.0000287200000000, 0.0000332900000000, -0.0005680200000000 ] - [ 0.0057984800000000, 0.0017943300000000, 0.0010586900000000 ] - [ 0.0002234400000000, -0.0001651000000000, -0.0028250300000000 ] - [ -0.0002960000000000, 0.0006157900000000, -0.0008772900000000 ] - [ -0.0003564700000000, -0.0001864000000000, -0.0002893500000000 ] - [ 0.0007136700000000, -0.0002547600000000, -0.0008727900000000 ] - [ 0.0001408500000000, -0.0001549700000000, -0.0002496500000000 ]- atom: 53 displacement: [ 0.0035230240541542, 0.0000000000000000, -0.0093588621911988 ] forces: - [ -0.0000435700000000, -0.0007568500000000, -0.0000448500000000 ] - [ -0.0000431100000000, -0.0001252700000000, -0.0002903000000000 ] - [ 0.0008285500000000, 0.0001190500000000, -0.0006976300000000 ] - [ 0.0000126800000000, -0.0002315000000000, 0.0003022200000000 ] - [ -0.0001368700000000, -0.0005279300000000, 0.0000743700000000 ] - [ -0.0033874700000000, -0.0056971000000000, -0.0031607800000000 ] - [ -0.0000615400000000, 0.0002787700000000, -0.0002328200000000 ] - [ -0.0025835600000000, 0.0014313200000000, 0.0015041800000000 ] - [ -0.0002426600000000, -0.0002096800000000, -0.0003147800000000 ] - [ 0.0007916700000000, 0.0001391300000000, 0.0002629200000000 ] - [ 0.0001405200000000, 0.0001319800000000, 0.0000182300000000 ] - [ 0.0000007700000000, -0.0004957900000000, 0.0004034100000000 ] - [ 0.0004604500000000, -0.0003012000000000, 0.0000665400000000 ] - [ 0.0000980100000000, 0.0001306000000000, 0.0001122000000000 ] - [ -0.0001488900000000, -0.0001011100000000, 0.0000424300000000 ] - [ -0.0002905100000000, -0.0001384600000000, 0.0000101200000000 ] - [ -0.0034088500000000, 0.0052609500000000, -0.0010727700000000 ] - [ 0.0000428600000000, 0.0000305700000000, -0.0005777000000000 ] - [ -0.0004689600000000, -0.0000056100000000, -0.0000235500000000 ] - [ 0.0003219200000000, -0.0000705400000000, -0.0005473900000000 ] - [ 0.0002537700000000, -0.0002779600000000, 0.0000677400000000 ] - [ 0.0007904200000000, 0.0000543600000000, -0.0003258700000000 ] - [ -0.0018587000000000, 0.0006064500000000, 0.0015773500000000 ] - [ 0.0001726100000000, 0.0006074600000000, -0.0002786900000000 ] - [ -0.0001095600000000, -0.0010263400000000, 0.0006902700000000 ] - [ 0.0005613800000000, -0.0017459900000000, 0.0005301600000000 ] - [ 0.0150352800000000, 0.0129693700000000, -0.0104364900000000 ] - [ 0.0087881800000000, 0.0048652700000000, 0.0002069400000000 ] - [ -0.0000670900000000, 0.0000999400000000, -0.0004378200000000 ] - [ 0.0026088500000000, 0.0016262400000000, 0.0012328300000000 ] - [ 0.0012257700000000, -0.0010264500000000, 0.0008523100000000 ] - [ -0.0021653500000000, -0.0009708400000000, 0.0009667000000000 ] - [ -0.0002244500000000, 0.0000984500000000, 0.0001550800000000 ] - [ -0.0002488000000000, -0.0001394200000000, -0.0006985500000000 ] - [ 0.0000461700000000, -0.0003668100000000, -0.0004283700000000 ] - [ 0.0000052000000000, -0.0003683300000000, -0.0006121000000000 ] - [ -0.0014780200000000, 0.0005540200000000, -0.0040303100000000 ] - [ 0.0002579400000000, -0.0009359700000000, -0.0003627200000000 ] - [ 0.0156199300000000, -0.0096358400000000, 0.0009886600000000 ] - [ 0.0001036400000000, -0.0012391100000000, -0.0001442100000000 ] - [ -0.0032390900000000, -0.0082502100000000, 0.0055004000000000 ] - [ 0.0001688000000000, 0.0001313500000000, -0.0012518000000000 ] - [ 0.0002455600000000, 0.0000327100000000, -0.0029327700000000 ] - [ -0.0002529700000000, -0.0003801200000000, -0.0000686700000000 ] - [ 0.0236030900000000, -0.0079601100000000, -0.0122177200000000 ] - [ -0.0014208900000000, 0.0004685900000000, -0.0039020600000000 ] - [ 0.0000297100000000, 0.0006805400000000, -0.0014973800000000 ] - [ -0.0006370100000000, 0.0001167900000000, 0.0000541100000000 ] - [ -0.0001262700000000, -0.0004259800000000, -0.0000708900000000 ] - [ 0.0002339600000000, -0.0003868700000000, 0.0001042800000000 ] - [ 0.0027172900000000, 0.0015579000000000, -0.0002520400000000 ] - [ -0.0013691600000000, 0.0016276100000000, 0.0043064200000000 ] - [ -0.2237124900000000, 0.0961486700000000, 0.2231018600000000 ] - [ -0.0004176400000000, -0.0003382800000000, 0.0004312900000000 ] - [ 0.0001230200000000, -0.0006301600000000, -0.0001338900000000 ] - [ 0.0002483600000000, -0.0004560000000000, -0.0001177300000000 ] - [ -0.0001034400000000, 0.0006822800000000, -0.0002579900000000 ] - [ 0.0002905600000000, -0.0005276200000000, -0.0001353700000000 ] - [ 0.0048694100000000, 0.0008039700000000, 0.0002637400000000 ] - [ 0.0010251000000000, -0.0027990500000000, 0.0002194600000000 ] - [ 0.0012016500000000, -0.0007770300000000, -0.0011604800000000 ] - [ 0.0002153300000000, 0.0000115200000000, 0.0001377500000000 ] - [ -0.0000099800000000, 0.0003040500000000, 0.0000855600000000 ] - [ 0.0005715600000000, -0.0005714600000000, -0.0006096200000000 ] - [ -0.0002319800000000, -0.0002001700000000, 0.0001081100000000 ] - [ -0.0039481200000000, 0.0057127900000000, 0.0005685600000000 ] - [ -0.0000872500000000, -0.0013687600000000, -0.0035177700000000 ] - [ -0.0013538300000000, -0.0003083600000000, -0.0026521800000000 ] - [ -0.0000047900000000, -0.0001317400000000, -0.0003926100000000 ] - [ -0.0000075200000000, -0.0001438700000000, -0.0002458000000000 ] - [ -0.0016946900000000, -0.0013342700000000, 0.0023138000000000 ] - [ 0.0005364000000000, 0.0008647800000000, -0.0000672000000000 ] - [ 0.0024835900000000, 0.0024410900000000, -0.0010003500000000 ] - [ 0.0002157300000000, -0.0001090000000000, 0.0005038400000000 ] - [ 0.0002760800000000, -0.0002403000000000, -0.0006191800000000 ] - [ -0.0002510100000000, -0.0004197600000000, 0.0001046500000000 ] - [ -0.0000584300000000, -0.0004263800000000, -0.0000966600000000 ] - [ 0.0008541700000000, -0.0027062300000000, -0.0002142900000000 ] - [ -0.0005068000000000, 0.0001189500000000, -0.0000029000000000 ] - [ -0.0006407900000000, 0.0018996900000000, 0.0002026200000000 ] - [ -0.0003930400000000, -0.0006821500000000, -0.0000481300000000 ] - [ -0.0007340000000000, 0.0004839200000000, -0.0056378600000000 ] - [ -0.0001569900000000, 0.0001631700000000, 0.0003373100000000 ] - [ 0.0002045500000000, -0.0015977200000000, -0.0004911600000000 ] - [ 0.0025441200000000, -0.0031765800000000, -0.0025852600000000 ] - [ 0.0002382800000000, 0.0001698700000000, 0.0003042100000000 ] - [ -0.0001362100000000, 0.0001754200000000, -0.0000719500000000 ] - [ -0.0002681800000000, 0.0002957300000000, -0.0001351400000000 ] - [ -0.0003317900000000, 0.0000155500000000, 0.0002092500000000 ] - [ 0.0003869200000000, -0.0002291700000000, 0.0001045900000000 ] - [ -0.0014254000000000, -0.0013996900000000, 0.0002213500000000 ] - [ -0.0000914900000000, 0.0049207800000000, -0.0001457400000000 ] - [ -0.0002690200000000, 0.0002676800000000, 0.0003274500000000 ] - [ 0.0017901600000000, -0.0016161200000000, 0.0018832200000000 ] - [ 0.0233928600000000, -0.0718459800000000, -0.0799159900000000 ] - [ -0.0054331400000000, -0.0011863000000000, -0.0003427000000000 ] - [ 0.0026202000000000, 0.0009907300000000, -0.0005455400000000 ] - [ 0.0002535400000000, 0.0001605500000000, -0.0003220800000000 ] - [ -0.0008461500000000, -0.0007177200000000, -0.0030512900000000 ] - [ 0.1143188700000000, -0.0400298100000000, -0.0790698800000000 ] - [ -0.0003065400000000, 0.0002756300000000, 0.0007760100000000 ] - [ -0.0023108700000000, 0.0005402500000000, 0.0034376000000000 ] - [ 0.0002836900000000, 0.0003817500000000, 0.0005164400000000 ] - [ -0.0003030200000000, -0.0000631800000000, 0.0001149700000000 ] - [ 0.0000658100000000, -0.0006111100000000, 0.0000565200000000 ] - [ -0.0030788300000000, 0.0015588900000000, 0.0011237400000000 ] - [ -0.0000408800000000, 0.0003995300000000, -0.0003754900000000 ] - [ 0.0001960500000000, -0.0001442000000000, -0.0018050300000000 ] - [ 0.0024193500000000, -0.0015150500000000, -0.0005062900000000 ] - [ -0.0004523000000000, 0.0016387300000000, 0.0026613400000000 ] - [ 0.0002356000000000, -0.0003402700000000, -0.0001596100000000 ] - [ 0.0001850000000000, 0.0003718600000000, 0.0002438200000000 ] - [ 0.0001534000000000, 0.0005341200000000, -0.0000872500000000 ] - [ 0.0000098800000000, 0.0001897600000000, 0.0003776700000000 ] - [ -0.0009003100000000, -0.0001209500000000, 0.0001719800000000 ] - [ 0.0000554100000000, 0.0003667900000000, -0.0000017700000000 ] - [ -0.0017073700000000, -0.0019249600000000, 0.0036181000000000 ] - [ 0.0001490900000000, 0.0001058900000000, 0.0002334900000000 ] - [ -0.0002251400000000, -0.0001859000000000, 0.0002403600000000 ] - [ -0.0030774200000000, 0.0036712000000000, -0.0003954200000000 ] - [ 0.0000349800000000, 0.0000773600000000, -0.0002481000000000 ] - [ -0.0001363300000000, 0.0000952000000000, 0.0002102000000000 ] - [ -0.0000097700000000, 0.0022253700000000, -0.0001369200000000 ] - [ -0.0012397900000000, 0.0033491200000000, 0.0005371500000000 ] - [ -0.0002147600000000, -0.0003173500000000, 0.0001013100000000 ] - [ 0.0009217700000000, -0.0000629900000000, 0.0017136900000000 ] - [ 0.0002689600000000, -0.0004966200000000, -0.0004194900000000 ] - [ -0.0001767200000000, 0.0003483700000000, -0.0003759000000000 ] - [ 0.0573828000000000, 0.0238921100000000, -0.0451466500000000 ] - [ 0.0002598300000000, 0.0007496600000000, -0.0001243300000000 ] - [ -0.0005123100000000, 0.0001737500000000, -0.0004616800000000 ] - [ 0.0000115500000000, 0.0001309400000000, -0.0000199400000000 ] - [ -0.0000466900000000, -0.0002466700000000, 0.0000478700000000 ] - [ -0.0003677100000000, 0.0005254400000000, 0.0010615600000000 ] - [ -0.0005131700000000, 0.0005776000000000, -0.0002454000000000 ] - [ -0.0013639300000000, 0.0026656400000000, -0.0002512400000000 ] - [ 0.0003731300000000, 0.0000914000000000, 0.0001596400000000 ] - [ -0.0005156700000000, -0.0006880500000000, 0.0008461200000000 ] - [ 0.0001645600000000, 0.0007314000000000, -0.0001527500000000 ] - [ -0.0008458300000000, -0.0001019200000000, 0.0007016100000000 ] - [ -0.0001327700000000, -0.0006325000000000, 0.0005128300000000 ] - [ 0.0004441100000000, 0.0013912700000000, 0.0021125000000000 ] - [ -0.0000634000000000, 0.0004987000000000, 0.0004503400000000 ] - [ 0.0021044500000000, -0.0062139800000000, 0.0035071500000000 ] - [ 0.0001768000000000, 0.0003117300000000, 0.0005141000000000 ] - [ 0.0023563200000000, 0.0005957500000000, -0.0000408200000000 ] - [ 0.0003892200000000, 0.0012166000000000, 0.0020661000000000 ] - [ -0.0003984500000000, -0.0000912200000000, 0.0001326400000000 ] - [ -0.0002787800000000, -0.0002688100000000, 0.0001553900000000 ] - [ 0.0002070500000000, 0.0001712100000000, 0.0004971000000000 ] - [ 0.0003950000000000, 0.0008896700000000, -0.0000239200000000 ] - [ -0.0008620200000000, -0.0015524700000000, 0.0018757500000000 ] - [ 0.0000378400000000, -0.0000864500000000, -0.0004023600000000 ] - [ 0.0004877200000000, 0.0009627800000000, -0.0000993000000000 ] - [ -0.0043859900000000, -0.0030728300000000, 0.0018484000000000 ] - [ -0.0055630300000000, -0.0008423000000000, -0.0008644100000000 ] - [ 0.0001425300000000, -0.0002481000000000, 0.0003970500000000 ] - [ -0.0010069400000000, -0.0005288100000000, -0.0010855700000000 ] - [ 0.0012623600000000, -0.0025176200000000, -0.0037577300000000 ] - [ 0.0006182600000000, -0.0002917100000000, 0.0003283500000000 ] - [ 0.0000618700000000, 0.0002081400000000, -0.0009572000000000 ] - [ -0.0001101000000000, 0.0008132700000000, 0.0002214700000000 ] - [ -0.0016624600000000, 0.0011711700000000, -0.0001991700000000 ] - [ 0.0002352400000000, 0.0003414800000000, -0.0000320900000000 ] - [ -0.0002861500000000, 0.0003280800000000, 0.0002616100000000 ] - [ -0.0001522700000000, 0.0000283800000000, 0.0002746400000000 ] - [ -0.0001440400000000, 0.0001251300000000, 0.0006621000000000 ] - [ -0.0000763300000000, 0.0006643300000000, -0.0002804800000000 ] - [ 0.0002541300000000, -0.0002501500000000, 0.0000898200000000 ] - [ 0.0009711900000000, -0.0006005600000000, 0.0004448800000000 ] - [ -0.0067440900000000, -0.0012101800000000, -0.0009415500000000 ] - [ 0.0003260600000000, -0.0000182800000000, 0.0023685300000000 ] - [ -0.0000238100000000, -0.0005098100000000, 0.0005416500000000 ] - [ -0.0002202000000000, 0.0001583500000000, -0.0002964400000000 ] - [ -0.0003105200000000, -0.0006243800000000, 0.0009298200000000 ] - [ 0.0004278100000000, 0.0003520500000000, -0.0002098400000000 ]- atom: 56 displacement: [ 0.0099999639143206, 0.0000000000000000, -0.0000268647033593 ] forces: - [ -0.0003015700000000, 0.0001283600000000, -0.0000719200000000 ] - [ -0.0008557700000000, -0.0005439700000000, 0.0001715400000000 ] - [ 0.0003575600000000, -0.0003773400000000, -0.0001707800000000 ] - [ 0.0010519900000000, -0.0000630300000000, 0.0000428600000000 ] - [ -0.0000200100000000, -0.0004415200000000, -0.0000256300000000 ] - [ -0.0000867500000000, -0.0006447800000000, -0.0002036000000000 ] - [ -0.0001933700000000, -0.0001032200000000, 0.0001703000000000 ] - [ 0.0003719400000000, -0.0001130900000000, 0.0002269700000000 ] - [ 0.0000247800000000, -0.0001577900000000, 0.0002272800000000 ] - [ -0.0000300200000000, -0.0000964800000000, 0.0001297100000000 ] - [ 0.0003610300000000, 0.0003069200000000, 0.0006421600000000 ] - [ 0.0077475100000000, 0.0062610700000000, -0.0063224300000000 ] - [ 0.0052646100000000, 0.0054261300000000, -0.0051211100000000 ] - [ 0.0076821900000000, -0.0050370500000000, 0.0009210500000000 ] - [ 0.0004983900000000, -0.0004635200000000, 0.0000268200000000 ] - [ -0.0002924100000000, 0.0002990600000000, 0.0009595400000000 ] - [ -0.0000564400000000, -0.0004421600000000, -0.0000733400000000 ] - [ -0.0004527200000000, -0.0003866800000000, -0.0000483100000000 ] - [ 0.0009514100000000, -0.0000349500000000, -0.0008377000000000 ] - [ 0.0000240700000000, 0.0001076100000000, -0.0000546900000000 ] - [ -0.0000762600000000, 0.0005218600000000, -0.0000015700000000 ] - [ -0.0000306000000000, 0.0002004300000000, -0.0002016400000000 ] - [ -0.0001122000000000, -0.0001774300000000, 0.0000201200000000 ] - [ -0.0004005200000000, -0.0012642300000000, -0.0003906700000000 ] - [ -0.0043370300000000, -0.0015952400000000, 0.0167956800000000 ] - [ 0.0033725700000000, 0.0000458700000000, -0.0007177200000000 ] - [ -0.0007827300000000, -0.0019038300000000, 0.0002131400000000 ] - [ -0.0000120900000000, -0.0008229200000000, -0.0006019700000000 ] - [ -0.0000004900000000, 0.0000806900000000, -0.0003207800000000 ] - [ 0.0011248900000000, -0.0012652600000000, 0.0003788100000000 ] - [ -0.0001016700000000, 0.0018795400000000, 0.0003926400000000 ] - [ 0.0001396700000000, -0.0007682200000000, -0.0019677000000000 ] - [ -0.0006824400000000, 0.0021703800000000, 0.0005715900000000 ] - [ 0.0003666500000000, -0.0016322500000000, 0.0017691300000000 ] - [ -0.0054790800000000, 0.0041945100000000, -0.0042244100000000 ] - [ 0.0025030200000000, 0.0015939400000000, 0.0011893800000000 ] - [ 0.0002780300000000, -0.0006139600000000, -0.0000699100000000 ] - [ 0.0011169800000000, 0.0002147900000000, -0.0003000100000000 ] - [ -0.0002873800000000, -0.0010182000000000, -0.0001543000000000 ] - [ -0.0213048100000000, 0.0005847200000000, -0.0141045300000000 ] - [ -0.0013626000000000, 0.0001740800000000, -0.0005672400000000 ] - [ 0.0008634900000000, -0.0003132000000000, -0.0003565400000000 ] - [ -0.0002050000000000, -0.0010783400000000, 0.0002456800000000 ] - [ 0.0165615700000000, -0.0121764300000000, 0.0200267400000000 ] - [ -0.0000644700000000, -0.0006561100000000, 0.0000585200000000 ] - [ -0.0000295200000000, -0.0001588500000000, -0.0003588100000000 ] - [ -0.0004470400000000, 0.0004631300000000, 0.0005401300000000 ] - [ 0.0000919800000000, -0.0009183300000000, 0.0005599100000000 ] - [ 0.0006986500000000, -0.0003341700000000, -0.0003078300000000 ] - [ 0.0023943800000000, 0.0025818900000000, 0.0012541200000000 ] - [ 0.0000997200000000, -0.0005928000000000, -0.0003570800000000 ] - [ 0.0003393500000000, -0.0002236500000000, 0.0002946400000000 ] - [ 0.0001218100000000, -0.0000982100000000, -0.0002676300000000 ] - [ -0.0004939400000000, 0.0023575800000000, -0.0028154700000000 ] - [ 0.0001395000000000, -0.0010786100000000, 0.0000100200000000 ] - [ -0.3625834400000000, 0.1103704600000000, -0.0343404700000000 ] - [ -0.0000285700000000, -0.0001807500000000, -0.0001099800000000 ] - [ -0.0017161700000000, -0.0017698700000000, 0.0007581900000000 ] - [ 0.0000396200000000, -0.0003793000000000, -0.0000634500000000 ] - [ 0.0010837900000000, -0.0000523000000000, 0.0000568300000000 ] - [ 0.0002241800000000, -0.0000898100000000, 0.0000960900000000 ] - [ 0.0009032500000000, 0.0005472500000000, -0.0001575200000000 ] - [ -0.0008506700000000, 0.0051058900000000, 0.0009380700000000 ] - [ -0.0004061300000000, -0.0009520500000000, -0.0000995800000000 ] - [ 0.0052638300000000, 0.0031538500000000, -0.0014153400000000 ] - [ -0.0002918200000000, 0.0004363300000000, 0.0004230900000000 ] - [ 0.0000302300000000, -0.0004236300000000, -0.0002252300000000 ] - [ 0.0000113200000000, 0.0001902600000000, -0.0001325500000000 ] - [ 0.0039738900000000, -0.0025557800000000, -0.0006807200000000 ] - [ 0.0005299200000000, 0.0011268300000000, -0.0001914100000000 ] - [ -0.0003170800000000, -0.0002382000000000, 0.0003937900000000 ] - [ 0.0005644800000000, 0.0000418200000000, -0.0000341300000000 ] - [ -0.0002966400000000, -0.0007087900000000, 0.0004546400000000 ] - [ -0.0001884500000000, 0.0002908500000000, 0.0012526300000000 ] - [ -0.0001410500000000, 0.0010854100000000, 0.0022438300000000 ] - [ -0.0000735900000000, 0.0001486800000000, 0.0000516200000000 ] - [ 0.0024169700000000, -0.0006576900000000, -0.0000363400000000 ] - [ -0.0006224000000000, -0.0009211800000000, -0.0000802000000000 ] - [ 0.0001620700000000, -0.0004903500000000, 0.0000818200000000 ] - [ -0.0025851200000000, -0.0015895900000000, 0.0004103800000000 ] - [ -0.0001142200000000, 0.0004782800000000, -0.0000210900000000 ] - [ -0.0000712700000000, 0.0001882300000000, 0.0004081100000000 ] - [ -0.0003691300000000, -0.0008673800000000, -0.0000108400000000 ] - [ -0.0005596800000000, 0.0007753000000000, 0.0001184400000000 ] - [ 0.0009802000000000, 0.0013717900000000, 0.0004486700000000 ] - [ -0.0002882000000000, -0.0004321300000000, -0.0018023600000000 ] - [ 0.0003099300000000, -0.0003349000000000, -0.0005510300000000 ] - [ 0.1717162500000000, -0.0799670100000000, 0.0032966900000000 ] - [ -0.0001711200000000, -0.0000354000000000, -0.0009837600000000 ] - [ 0.0000991200000000, 0.0003026000000000, -0.0000903900000000 ] - [ 0.0001180300000000, 0.0003600600000000, 0.0000773700000000 ] - [ 0.0002366800000000, 0.0011798600000000, 0.0003296400000000 ] - [ -0.0043202100000000, -0.0011679900000000, 0.0004165900000000 ] - [ 0.0003596100000000, -0.0000854100000000, 0.0000694700000000 ] - [ 0.0000073300000000, -0.0001219000000000, 0.0001988200000000 ] - [ 0.0000841700000000, -0.0000941800000000, -0.0001731400000000 ] - [ 0.0031446000000000, 0.0016312900000000, 0.0002826000000000 ] - [ 0.0002108500000000, -0.0009616900000000, 0.0024516900000000 ] - [ -0.0002678000000000, 0.0003225000000000, 0.0002635700000000 ] - [ -0.0001653900000000, 0.0008278400000000, -0.0000391500000000 ] - [ 0.0000477700000000, 0.0000642500000000, -0.0008151800000000 ] - [ -0.0002685200000000, 0.0004526600000000, -0.0001721100000000 ] - [ -0.0002292100000000, -0.0004335000000000, 0.0002773800000000 ] - [ -0.0029498400000000, -0.0019378200000000, -0.0011424300000000 ] - [ 0.0028792200000000, -0.0013621300000000, 0.0008611200000000 ] - [ -0.0004177200000000, 0.0003313800000000, -0.0000125000000000 ] - [ -0.0003067100000000, 0.0003021600000000, -0.0000902800000000 ] - [ 0.0001617100000000, 0.0004653800000000, -0.0005412800000000 ] - [ -0.0000502500000000, 0.0002326000000000, -0.0001040800000000 ] - [ -0.0001251000000000, 0.0008491800000000, 0.0004958900000000 ] - [ -0.0001437100000000, -0.0002902300000000, 0.0006814000000000 ] - [ -0.0013560700000000, 0.0091932700000000, 0.0012699200000000 ] - [ 0.0008096900000000, 0.0001067800000000, 0.0010594400000000 ] - [ -0.0005076900000000, -0.0005749300000000, 0.0012615700000000 ] - [ -0.0004680700000000, 0.0001015200000000, -0.0001196300000000 ] - [ 0.0014627200000000, -0.0019045200000000, -0.0000542600000000 ] - [ 0.0003804200000000, 0.0003654300000000, 0.0000816600000000 ] - [ -0.0002071100000000, -0.0040871100000000, -0.0034778800000000 ] - [ -0.0000162000000000, 0.0005140800000000, -0.0003064600000000 ] - [ -0.0001267500000000, -0.0000536200000000, 0.0001531400000000 ] - [ 0.0003540400000000, 0.0031915900000000, -0.0014264900000000 ] - [ -0.0034589100000000, 0.0003272800000000, -0.0021810900000000 ] - [ 0.0004087900000000, 0.0012711100000000, 0.0005092500000000 ] - [ 0.0005875200000000, 0.0003502400000000, 0.0000569900000000 ] - [ 0.0018632800000000, 0.0001229200000000, -0.0004987100000000 ] - [ -0.0000965300000000, 0.0001890800000000, -0.0000647200000000 ] - [ -0.0005360900000000, -0.0000679800000000, 0.0000184500000000 ] - [ 0.1107672700000000, 0.0098557000000000, 0.0733316500000000 ] - [ 0.0005911500000000, 0.0004381100000000, 0.0001520100000000 ] - [ -0.0013210200000000, -0.0009553900000000, -0.0001975200000000 ] - [ -0.0003818300000000, -0.0003383100000000, -0.0006933800000000 ] - [ -0.0075900800000000, -0.0024927500000000, 0.0001337600000000 ] - [ -0.0002337700000000, -0.0016343900000000, -0.0005055500000000 ] - [ 0.0001265300000000, 0.0012325600000000, -0.0001383200000000 ] - [ 0.0052897300000000, -0.0029223500000000, 0.0018096400000000 ] - [ -0.0006257100000000, -0.0001282000000000, 0.0005834500000000 ] - [ 0.0015049100000000, 0.0009232700000000, -0.0015290600000000 ] - [ -0.0002398500000000, 0.0007250000000000, 0.0003987500000000 ] - [ -0.0007990100000000, 0.0008178700000000, -0.0003934900000000 ] - [ -0.0003265700000000, 0.0004383200000000, 0.0002440700000000 ] - [ 0.0000007600000000, -0.0001217700000000, 0.0000857600000000 ] - [ -0.0001969600000000, 0.0002198600000000, -0.0001022300000000 ] - [ 0.0000800800000000, 0.0008120400000000, -0.0002410900000000 ] - [ 0.0002573200000000, -0.0000544000000000, 0.0003183900000000 ] - [ -0.0003746000000000, 0.0007236000000000, 0.0001909400000000 ] - [ 0.0003444500000000, 0.0003738500000000, -0.0001710300000000 ] - [ 0.0000769600000000, 0.0000782300000000, 0.0000774200000000 ] - [ -0.0022771900000000, -0.0009677400000000, 0.0003246200000000 ] - [ -0.0010239100000000, -0.0006687900000000, -0.0000922400000000 ] - [ -0.0017421600000000, 0.0025967000000000, -0.0006637200000000 ] - [ -0.0013957000000000, 0.0019377900000000, 0.0023028800000000 ] - [ 0.0001796200000000, 0.0003936400000000, -0.0004499000000000 ] - [ -0.0003038600000000, -0.0002987000000000, -0.0002215500000000 ] - [ -0.0002912800000000, -0.0000909700000000, 0.0009050400000000 ] - [ -0.0000003500000000, 0.0007806600000000, -0.0000695000000000 ] - [ -0.0002462500000000, 0.0006336300000000, 0.0001477700000000 ] - [ -0.0004357100000000, -0.0004850700000000, 0.0004166800000000 ] - [ -0.0001442400000000, 0.0007661700000000, -0.0000034600000000 ] - [ 0.0002212600000000, -0.0016970200000000, -0.0001531400000000 ] - [ 0.0000225200000000, 0.0002212300000000, -0.0000980500000000 ] - [ -0.0028851100000000, -0.0008327200000000, 0.0012436400000000 ] - [ 0.0038399100000000, -0.0008230900000000, -0.0049784000000000 ] - [ -0.0010707600000000, 0.0002286200000000, -0.0002613800000000 ] - [ 0.0011739500000000, -0.0013319000000000, -0.0058095900000000 ] - [ 0.0005710000000000, -0.0009021200000000, -0.0006477300000000 ] - [ 0.0690699700000000, -0.0393141200000000, -0.0404367300000000 ] - [ -0.0001363300000000, -0.0004494400000000, 0.0009104000000000 ] - [ -0.0002879800000000, -0.0036984100000000, -0.0017727700000000 ] - [ 0.0000986400000000, 0.0001929400000000, 0.0000075700000000 ] - [ 0.0003940200000000, -0.0000104700000000, -0.0001211100000000 ] - [ -0.0005502400000000, 0.0008388500000000, -0.0000145200000000 ] - [ 0.0003100100000000, 0.0003905500000000, -0.0001089200000000 ] - [ -0.0001732500000000, 0.0005820800000000, -0.0002116600000000 ] - [ -0.0002509600000000, -0.0002445100000000, -0.0004275400000000 ] - [ 0.0004572000000000, -0.0000954100000000, 0.0001513300000000 ] - [ 0.0001458100000000, -0.0002170700000000, -0.0000484300000000 ]- atom: 56 displacement: [ -0.0099999639143206, 0.0000000000000000, 0.0000268647033593 ] forces: - [ 0.0004937900000000, -0.0003486100000000, 0.0002623100000000 ] - [ 0.0007226100000000, 0.0009871500000000, -0.0002251800000000 ] - [ 0.0002592000000000, 0.0003685200000000, 0.0000272600000000 ] - [ -0.0009592100000000, -0.0006111100000000, 0.0002317600000000 ] - [ -0.0000718200000000, -0.0002254500000000, -0.0002521600000000 ] - [ -0.0001035300000000, 0.0004272100000000, 0.0000156800000000 ] - [ 0.0000029200000000, 0.0003208100000000, -0.0003574000000000 ] - [ 0.0004982300000000, 0.0004525100000000, -0.0000064900000000 ] - [ 0.0000345300000000, 0.0000484800000000, -0.0003450300000000 ] - [ -0.0000296900000000, 0.0002063900000000, -0.0000128700000000 ] - [ -0.0002703600000000, 0.0003605900000000, -0.0003641400000000 ] - [ -0.0077288400000000, -0.0067901100000000, 0.0064687600000000 ] - [ -0.0043441100000000, -0.0056881800000000, 0.0052701400000000 ] - [ -0.0075535600000000, 0.0050645400000000, -0.0010030100000000 ] - [ -0.0005570100000000, 0.0003547400000000, 0.0000892700000000 ] - [ -0.0003238500000000, -0.0003085700000000, -0.0008158000000000 ] - [ -0.0000755000000000, -0.0000008300000000, 0.0000205400000000 ] - [ -0.0004173900000000, 0.0000482900000000, -0.0001719700000000 ] - [ -0.0018203500000000, 0.0003784300000000, 0.0006180800000000 ] - [ 0.0001083000000000, 0.0003376400000000, 0.0001104300000000 ] - [ 0.0006959500000000, -0.0005126900000000, -0.0001413300000000 ] - [ -0.0000616000000000, 0.0004678300000000, -0.0000762500000000 ] - [ -0.0005053200000000, 0.0001861600000000, 0.0001224100000000 ] - [ 0.0005867400000000, 0.0014840900000000, 0.0005806200000000 ] - [ 0.0048494700000000, 0.0012489200000000, -0.0159083000000000 ] - [ -0.0032979900000000, -0.0005241300000000, 0.0010222500000000 ] - [ 0.0003939800000000, 0.0008825300000000, 0.0004532500000000 ] - [ -0.0004977700000000, 0.0004988800000000, -0.0003022100000000 ] - [ -0.0000854500000000, 0.0004002600000000, 0.0000359500000000 ] - [ -0.0009481700000000, 0.0015836400000000, -0.0012337600000000 ] - [ -0.0000825600000000, -0.0015609900000000, 0.0004699800000000 ] - [ -0.0000269900000000, 0.0011450400000000, 0.0020438100000000 ] - [ 0.0002876200000000, -0.0011485700000000, 0.0000953100000000 ] - [ -0.0008726000000000, 0.0019539300000000, -0.0026716300000000 ] - [ 0.0053875700000000, -0.0045625800000000, 0.0042062600000000 ] - [ -0.0023194000000000, -0.0019150600000000, -0.0020726400000000 ] - [ 0.0000955800000000, 0.0008020200000000, -0.0000306500000000 ] - [ -0.0007306500000000, -0.0012390300000000, -0.0003607200000000 ] - [ 0.0002026900000000, 0.0005417600000000, -0.0001264500000000 ] - [ 0.0217262600000000, -0.0008331200000000, 0.0139480100000000 ] - [ 0.0012605500000000, 0.0001940100000000, 0.0004951700000000 ] - [ -0.0003639300000000, 0.0006407500000000, 0.0012589500000000 ] - [ 0.0003174800000000, 0.0007088500000000, -0.0001697300000000 ] - [ -0.0169773800000000, 0.0124971400000000, -0.0199779700000000 ] - [ -0.0003096800000000, 0.0004699600000000, 0.0000454200000000 ] - [ 0.0004223000000000, 0.0011856000000000, -0.0003095300000000 ] - [ 0.0005386400000000, 0.0000136000000000, -0.0002605700000000 ] - [ -0.0002742800000000, 0.0006000800000000, 0.0002968300000000 ] - [ -0.0010431100000000, -0.0001530500000000, 0.0002580000000000 ] - [ -0.0023415200000000, -0.0022031200000000, -0.0010891700000000 ] - [ 0.0003284400000000, 0.0006667300000000, -0.0003444400000000 ] - [ -0.0000471200000000, 0.0000805800000000, 0.0002493900000000 ] - [ 0.0002923700000000, 0.0007719300000000, 0.0000385700000000 ] - [ 0.0000693400000000, -0.0016720400000000, 0.0030467400000000 ] - [ 0.0001917200000000, 0.0006005200000000, 0.0000378300000000 ] - [ 0.3709276900000000, -0.1200577500000000, 0.0294492700000000 ] - [ 0.0000569000000000, 0.0007862400000000, -0.0001045500000000 ] - [ 0.0021212700000000, 0.0010918000000000, -0.0009838100000000 ] - [ -0.0001048300000000, 0.0007599000000000, -0.0000992600000000 ] - [ -0.0011155600000000, -0.0005584000000000, 0.0001579900000000 ] - [ -0.0005177700000000, 0.0002338300000000, -0.0006388100000000 ] - [ -0.0006072600000000, -0.0004005700000000, 0.0007004100000000 ] - [ 0.0008320900000000, -0.0045244500000000, -0.0007330500000000 ] - [ -0.0000070100000000, 0.0002825300000000, 0.0003306500000000 ] - [ -0.0055605100000000, -0.0033012600000000, 0.0008772300000000 ] - [ 0.0005528800000000, -0.0007035000000000, -0.0005685500000000 ] - [ -0.0002870700000000, 0.0006868500000000, 0.0003646800000000 ] - [ 0.0002796200000000, 0.0005792300000000, -0.0003252900000000 ] - [ -0.0042591200000000, 0.0033232900000000, 0.0011337900000000 ] - [ -0.0002751900000000, -0.0008728500000000, 0.0000623000000000 ] - [ -0.0001190200000000, 0.0001606500000000, 0.0003048400000000 ] - [ -0.0002343500000000, 0.0004387600000000, 0.0000820900000000 ] - [ 0.0000061200000000, -0.0000599300000000, 0.0000039100000000 ] - [ -0.0002488200000000, -0.0002128400000000, -0.0005538400000000 ] - [ 0.0005804100000000, -0.0011660800000000, -0.0029514700000000 ] - [ -0.0001820800000000, -0.0004099300000000, 0.0000877800000000 ] - [ -0.0024745900000000, 0.0002786400000000, -0.0001283700000000 ] - [ 0.0006520600000000, 0.0003200100000000, -0.0001353300000000 ] - [ -0.0000982200000000, 0.0001094700000000, 0.0000807900000000 ] - [ 0.0022495100000000, 0.0020765200000000, -0.0004630600000000 ] - [ 0.0006376700000000, 0.0003076600000000, 0.0000809900000000 ] - [ -0.0000619600000000, -0.0002067200000000, 0.0004454200000000 ] - [ -0.0001956600000000, 0.0006752400000000, 0.0004689600000000 ] - [ 0.0002659100000000, -0.0000226700000000, -0.0003619800000000 ] - [ -0.0009024000000000, -0.0014519100000000, 0.0002155100000000 ] - [ 0.0007563800000000, 0.0005041500000000, 0.0020035200000000 ] - [ 0.0001500600000000, 0.0002488100000000, 0.0003052400000000 ] - [ -0.1816631300000000, 0.0882326300000000, -0.0038388200000000 ] - [ -0.0002116100000000, -0.0000427200000000, 0.0013629000000000 ] - [ 0.0004229800000000, -0.0010895000000000, 0.0001507600000000 ] - [ 0.0001296200000000, -0.0002233100000000, 0.0002140500000000 ] - [ -0.0004886700000000, -0.0001106700000000, 0.0000208500000000 ] - [ 0.0038266000000000, 0.0016775400000000, 0.0004362900000000 ] - [ 0.0002145500000000, 0.0000580900000000, 0.0005239400000000 ] - [ -0.0001584500000000, -0.0010679500000000, 0.0001367800000000 ] - [ 0.0001415400000000, -0.0010125800000000, -0.0001937700000000 ] - [ -0.0028663700000000, -0.0008878700000000, -0.0000353100000000 ] - [ -0.0000612100000000, -0.0002352600000000, -0.0027885500000000 ] - [ -0.0001148000000000, -0.0002455200000000, 0.0001172700000000 ] - [ -0.0002391800000000, 0.0000469300000000, -0.0000113600000000 ] - [ 0.0000847600000000, -0.0000466100000000, -0.0000388000000000 ] - [ -0.0003083400000000, -0.0004245500000000, -0.0004170300000000 ] - [ 0.0008067000000000, 0.0004640300000000, 0.0003015300000000 ] - [ 0.0027442700000000, 0.0008285500000000, 0.0015068400000000 ] - [ -0.0026506100000000, 0.0002931600000000, -0.0012152700000000 ] - [ 0.0001537800000000, -0.0002183300000000, 0.0002153000000000 ] - [ -0.0001601900000000, -0.0002312700000000, -0.0001001400000000 ] - [ 0.0003207500000000, 0.0000371800000000, -0.0002982700000000 ] - [ 0.0003149300000000, -0.0003462500000000, -0.0000997900000000 ] - [ -0.0002025300000000, -0.0003006800000000, 0.0000941600000000 ] - [ -0.0001849400000000, -0.0002601100000000, -0.0000915900000000 ] - [ 0.0019171500000000, -0.0092572300000000, -0.0010654000000000 ] - [ -0.0004850500000000, 0.0004403000000000, -0.0016704700000000 ] - [ 0.0005970900000000, 0.0006596000000000, -0.0005955800000000 ] - [ -0.0000128600000000, -0.0006053600000000, 0.0009594000000000 ] - [ -0.0011980100000000, 0.0020090900000000, -0.0001487400000000 ] - [ 0.0001646200000000, -0.0002828500000000, 0.0001229700000000 ] - [ 0.0005183600000000, 0.0041943800000000, 0.0038322000000000 ] - [ -0.0002785900000000, -0.0012675000000000, 0.0000623500000000 ] - [ 0.0004434700000000, -0.0000441400000000, 0.0001793500000000 ] - [ -0.0008685200000000, -0.0024085200000000, 0.0013632800000000 ] - [ 0.0031531600000000, -0.0005515400000000, 0.0025102000000000 ] - [ -0.0007268900000000, -0.0013822900000000, -0.0008465200000000 ] - [ -0.0003863900000000, -0.0000239900000000, 0.0000635300000000 ] - [ -0.0022613200000000, -0.0009974300000000, 0.0004483400000000 ] - [ -0.0001516700000000, -0.0003264000000000, -0.0002292300000000 ] - [ 0.0004570200000000, -0.0000095300000000, -0.0006826800000000 ] - [ -0.1088779000000000, -0.0089714900000000, -0.0689845100000000 ] - [ 0.0003597800000000, -0.0002860900000000, -0.0000256400000000 ] - [ 0.0022652600000000, 0.0015224300000000, 0.0000660100000000 ] - [ -0.0000857300000000, 0.0002669800000000, 0.0005011100000000 ] - [ 0.0073421500000000, 0.0023619800000000, 0.0000799800000000 ] - [ 0.0000267000000000, 0.0013135600000000, 0.0003904300000000 ] - [ 0.0000244100000000, -0.0000466800000000, -0.0001986500000000 ] - [ -0.0062431900000000, 0.0030686700000000, -0.0019592300000000 ] - [ 0.0008813200000000, 0.0012072400000000, -0.0009408500000000 ] - [ -0.0005519500000000, -0.0010690300000000, 0.0016547800000000 ] - [ 0.0006278900000000, -0.0007972600000000, -0.0007755500000000 ] - [ 0.0010218100000000, 0.0002879700000000, 0.0000270200000000 ] - [ -0.0006214000000000, -0.0005927200000000, -0.0003728300000000 ] - [ -0.0002517600000000, -0.0009508100000000, 0.0002649200000000 ] - [ -0.0003490100000000, -0.0003034000000000, -0.0001046700000000 ] - [ -0.0001596000000000, -0.0007352100000000, -0.0004220600000000 ] - [ -0.0008289300000000, 0.0002535400000000, 0.0001448700000000 ] - [ 0.0001499500000000, 0.0003827800000000, 0.0001768000000000 ] - [ 0.0001130400000000, -0.0002894200000000, -0.0000726100000000 ] - [ -0.0003109800000000, -0.0002280200000000, 0.0003559400000000 ] - [ 0.0013331700000000, 0.0003974200000000, -0.0001901200000000 ] - [ 0.0005117800000000, -0.0001149000000000, 0.0000357700000000 ] - [ 0.0019861400000000, -0.0027339000000000, 0.0009551700000000 ] - [ 0.0016257900000000, -0.0020876200000000, -0.0027314800000000 ] - [ 0.0000531000000000, -0.0002443800000000, 0.0000155900000000 ] - [ 0.0007861800000000, -0.0002064400000000, -0.0006197900000000 ] - [ 0.0007004800000000, 0.0009628800000000, -0.0008607200000000 ] - [ -0.0004511800000000, -0.0008676100000000, 0.0003160900000000 ] - [ -0.0000429800000000, -0.0004114900000000, 0.0001858900000000 ] - [ 0.0007505300000000, -0.0002720400000000, -0.0001865600000000 ] - [ 0.0006162500000000, -0.0008301500000000, 0.0001963300000000 ] - [ 0.0001030100000000, 0.0011611500000000, -0.0004348600000000 ] - [ 0.0002681000000000, -0.0004437400000000, -0.0002359700000000 ] - [ 0.0030231800000000, 0.0008130000000000, -0.0021098000000000 ] - [ -0.0040007800000000, 0.0020256500000000, 0.0053315300000000 ] - [ 0.0008727300000000, 0.0001024900000000, 0.0001379600000000 ] - [ -0.0007926800000000, 0.0014179500000000, 0.0054515900000000 ] - [ -0.0010308800000000, 0.0009890400000000, 0.0008934700000000 ] - [ -0.0701192700000000, 0.0394829000000000, 0.0410035000000000 ] - [ 0.0000027600000000, 0.0004636100000000, -0.0000547900000000 ] - [ 0.0005861900000000, 0.0039373200000000, 0.0014486600000000 ] - [ 0.0001025800000000, -0.0005220900000000, 0.0001134100000000 ] - [ 0.0005430100000000, -0.0005562500000000, -0.0000065800000000 ] - [ -0.0003860200000000, -0.0002732100000000, 0.0001427300000000 ] - [ 0.0002563700000000, -0.0005880300000000, -0.0003524900000000 ] - [ -0.0001430100000000, -0.0004824500000000, -0.0001216600000000 ] - [ -0.0003264400000000, 0.0002156100000000, -0.0001629500000000 ] - [ -0.0000563100000000, -0.0007827800000000, -0.0001023400000000 ] - [ 0.0004216500000000, 0.0004139800000000, -0.0004153600000000 ]- atom: 56 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001565500000000, -0.0008412000000000, 0.0007619900000000 ] - [ 0.0002566200000000, 0.0011706700000000, -0.0005835600000000 ] - [ 0.0002104000000000, 0.0006496600000000, -0.0000629100000000 ] - [ -0.0003431900000000, -0.0006531900000000, -0.0001162900000000 ] - [ -0.0000778200000000, -0.0000710000000000, -0.0000552700000000 ] - [ -0.0001374500000000, 0.0005847400000000, -0.0001309100000000 ] - [ -0.0000193300000000, 0.0003235700000000, -0.0001656400000000 ] - [ 0.0004365600000000, 0.0004210200000000, 0.0001405300000000 ] - [ -0.0000865500000000, -0.0002702500000000, 0.0003070000000000 ] - [ 0.0000001400000000, 0.0003993000000000, 0.0001462100000000 ] - [ 0.0003982800000000, -0.0000339200000000, 0.0005951800000000 ] - [ 0.0044560900000000, -0.0036907700000000, -0.0018367800000000 ] - [ 0.0042192300000000, -0.0020887800000000, -0.0033960200000000 ] - [ -0.0056908300000000, 0.0004154400000000, -0.0034558200000000 ] - [ -0.0002449600000000, 0.0005057100000000, -0.0001129200000000 ] - [ -0.0001048600000000, -0.0007084700000000, -0.0000616300000000 ] - [ -0.0001016100000000, 0.0002018200000000, 0.0001285200000000 ] - [ -0.0003834000000000, 0.0002243900000000, 0.0000005300000000 ] - [ -0.0012104900000000, 0.0003001200000000, 0.0001727800000000 ] - [ 0.0001603500000000, 0.0007946100000000, 0.0007674300000000 ] - [ 0.0003995600000000, -0.0000108200000000, 0.0005732500000000 ] - [ -0.0000379600000000, 0.0008863500000000, -0.0002183600000000 ] - [ -0.0003603400000000, 0.0003399000000000, -0.0000796400000000 ] - [ 0.0001370900000000, 0.0061225700000000, 0.0014994300000000 ] - [ 0.0006413300000000, -0.0039131200000000, 0.0021010200000000 ] - [ -0.0003934800000000, -0.0020504000000000, 0.0010375500000000 ] - [ 0.0002412900000000, 0.0012103200000000, -0.0005547900000000 ] - [ -0.0003851700000000, 0.0011371400000000, -0.0003818500000000 ] - [ -0.0000032600000000, 0.0005615400000000, -0.0010051500000000 ] - [ -0.0001672600000000, 0.0003709500000000, -0.0011380800000000 ] - [ 0.0006108400000000, 0.0008411100000000, 0.0018329100000000 ] - [ -0.0005778300000000, 0.0021180600000000, 0.0018143400000000 ] - [ -0.0008202600000000, -0.0025550100000000, 0.0015421100000000 ] - [ -0.0005795000000000, 0.0014671900000000, -0.0020121800000000 ] - [ 0.0065604200000000, -0.0069120800000000, 0.0207543500000000 ] - [ -0.0009636400000000, -0.0032806700000000, -0.0015739700000000 ] - [ -0.0000326100000000, 0.0014802500000000, 0.0004632000000000 ] - [ -0.0001976500000000, -0.0013182400000000, 0.0012155700000000 ] - [ 0.0001295000000000, 0.0013734100000000, -0.0000989900000000 ] - [ 0.0043986300000000, 0.0240863100000000, 0.0222185200000000 ] - [ 0.0005284100000000, -0.0001112200000000, -0.0004627600000000 ] - [ -0.0016730000000000, 0.0023505800000000, 0.0016284200000000 ] - [ 0.0001852000000000, 0.0012381400000000, -0.0001789700000000 ] - [ -0.0110111900000000, 0.0068168000000000, -0.0155903900000000 ] - [ -0.0002249200000000, 0.0006576500000000, 0.0003729200000000 ] - [ 0.0005112000000000, 0.0022396600000000, -0.0004931800000000 ] - [ 0.0015498400000000, 0.0017301400000000, 0.0007064800000000 ] - [ -0.0001894700000000, 0.0011983200000000, 0.0004046600000000 ] - [ -0.0037915600000000, -0.0008185800000000, 0.0013676300000000 ] - [ 0.0007614800000000, -0.0002911000000000, 0.0002041700000000 ] - [ -0.0001646700000000, 0.0007446900000000, -0.0019007300000000 ] - [ -0.0001691300000000, 0.0002524300000000, 0.0006154800000000 ] - [ 0.0002925300000000, 0.0009168400000000, -0.0000043500000000 ] - [ -0.0030784800000000, -0.0002475000000000, 0.0020644200000000 ] - [ 0.0002656200000000, 0.0008515500000000, 0.0000732100000000 ] - [ 0.1167092200000000, -0.3466262300000000, -0.1325873300000000 ] - [ 0.0000317600000000, 0.0011737900000000, -0.0001211200000000 ] - [ 0.0012547600000000, -0.0004856300000000, -0.0004797300000000 ] - [ -0.0000942700000000, 0.0010461700000000, -0.0001078000000000 ] - [ -0.0004004400000000, -0.0009242900000000, 0.0001248500000000 ] - [ -0.0002450800000000, 0.0002659600000000, 0.0004532600000000 ] - [ 0.0019862800000000, 0.0012733300000000, -0.0012262700000000 ] - [ 0.0036118100000000, -0.0032468500000000, 0.0002723500000000 ] - [ -0.0000910200000000, 0.0011836700000000, 0.0007085200000000 ] - [ -0.0039270900000000, -0.0025709700000000, -0.0001055800000000 ] - [ 0.0003197700000000, 0.0003435900000000, -0.0007487700000000 ] - [ -0.0005631600000000, 0.0011022900000000, 0.0001245600000000 ] - [ 0.0003521400000000, 0.0003861500000000, 0.0003781000000000 ] - [ -0.0031070100000000, 0.0029064500000000, 0.0004347400000000 ] - [ -0.0006284500000000, -0.0028618700000000, 0.0025920900000000 ] - [ 0.0001687500000000, 0.0004716800000000, -0.0000361300000000 ] - [ 0.0000408500000000, 0.0007857900000000, 0.0000667500000000 ] - [ 0.0001686200000000, 0.0000453800000000, 0.0001468100000000 ] - [ 0.0001042600000000, -0.0000973500000000, 0.0005184100000000 ] - [ 0.0001084900000000, 0.0002408400000000, 0.0009463000000000 ] - [ -0.0001666700000000, -0.0003593800000000, 0.0004994700000000 ] - [ -0.0012967500000000, -0.0001652500000000, -0.0001017200000000 ] - [ 0.0003587600000000, 0.0016230300000000, -0.0001558700000000 ] - [ -0.0000008000000000, 0.0006502800000000, 0.0001238900000000 ] - [ -0.0000263800000000, 0.0003291800000000, -0.0008720700000000 ] - [ 0.0002226400000000, -0.0002177500000000, -0.0000951000000000 ] - [ -0.0000115000000000, -0.0003981100000000, 0.0000723600000000 ] - [ 0.0000669800000000, 0.0015895800000000, -0.0004915500000000 ] - [ 0.0001941000000000, -0.0004368600000000, -0.0002789900000000 ] - [ -0.0000881900000000, -0.0000416700000000, 0.0006648600000000 ] - [ 0.0000318900000000, 0.0005073500000000, -0.0007310400000000 ] - [ 0.0000706700000000, 0.0002107200000000, -0.0002784300000000 ] - [ -0.0922304000000000, 0.1123530200000000, 0.0013692100000000 ] - [ -0.0002434300000000, -0.0001458700000000, 0.0004511700000000 ] - [ 0.0002830100000000, -0.0012007200000000, 0.0001602800000000 ] - [ 0.0000089600000000, -0.0003849400000000, 0.0000090700000000 ] - [ -0.0001712100000000, -0.0008459800000000, 0.0000182300000000 ] - [ 0.0026959900000000, 0.0022621400000000, 0.0014734800000000 ] - [ 0.0000057000000000, -0.0006388100000000, 0.0007565100000000 ] - [ -0.0001201100000000, -0.0010788900000000, 0.0000823000000000 ] - [ 0.0000968000000000, -0.0012866300000000, -0.0002049800000000 ] - [ 0.0001069500000000, 0.0015821600000000, 0.0014645100000000 ] - [ 0.0015401500000000, -0.0016461600000000, -0.0023534300000000 ] - [ -0.0002659400000000, -0.0005229600000000, 0.0005038500000000 ] - [ -0.0001338600000000, -0.0001808800000000, 0.0001224500000000 ] - [ -0.0000630700000000, -0.0003246700000000, -0.0012535800000000 ] - [ -0.0001743200000000, -0.0007400700000000, -0.0000695400000000 ] - [ 0.0002417100000000, 0.0010887300000000, -0.0019469600000000 ] - [ -0.0014614900000000, 0.0000892400000000, -0.0006003200000000 ] - [ -0.0042784400000000, -0.0011584200000000, -0.0025391000000000 ] - [ 0.0000996000000000, -0.0002951100000000, -0.0002272100000000 ] - [ -0.0002568700000000, -0.0004590000000000, 0.0000230800000000 ] - [ 0.0003213800000000, -0.0001133200000000, -0.0004917700000000 ] - [ 0.0004918200000000, -0.0005703900000000, -0.0003178900000000 ] - [ -0.0000749700000000, -0.0005885800000000, 0.0001933100000000 ] - [ -0.0000615500000000, -0.0003417700000000, -0.0003847200000000 ] - [ 0.0026164400000000, -0.0043772500000000, 0.0005332300000000 ] - [ -0.0007498800000000, 0.0011754000000000, -0.0061135600000000 ] - [ 0.0026955200000000, 0.0027019100000000, -0.0024414700000000 ] - [ -0.0002960900000000, -0.0002412500000000, 0.0002079000000000 ] - [ -0.0031208100000000, -0.0022301200000000, 0.0002129200000000 ] - [ 0.0000507100000000, -0.0004949800000000, -0.0000746200000000 ] - [ -0.0021375000000000, 0.0045948500000000, 0.0019577300000000 ] - [ -0.0002101500000000, -0.0013819100000000, 0.0000331500000000 ] - [ 0.0001878400000000, 0.0002692000000000, 0.0002599800000000 ] - [ -0.0003926000000000, 0.0013190500000000, 0.0011794900000000 ] - [ 0.0016655800000000, 0.0002466900000000, 0.0016399800000000 ] - [ -0.0005236600000000, -0.0028906700000000, -0.0014529900000000 ] - [ -0.0002082500000000, -0.0009691700000000, -0.0000412000000000 ] - [ -0.0011132400000000, -0.0002777500000000, 0.0003902500000000 ] - [ -0.0001046400000000, -0.0005579200000000, -0.0009290600000000 ] - [ 0.0003647900000000, -0.0003602300000000, -0.0008185300000000 ] - [ 0.0113179100000000, 0.0585292600000000, 0.0159953500000000 ] - [ 0.0002717700000000, -0.0004785900000000, -0.0000245300000000 ] - [ 0.0000143600000000, 0.0005513200000000, -0.0004342900000000 ] - [ -0.0004036300000000, -0.0001282900000000, -0.0005847600000000 ] - [ 0.0059278700000000, 0.0023341200000000, 0.0010939700000000 ] - [ -0.0017230500000000, 0.0009642800000000, 0.0002428200000000 ] - [ 0.0000845100000000, -0.0008254600000000, -0.0004294900000000 ] - [ 0.0003407200000000, 0.0007341900000000, -0.0035659700000000 ] - [ 0.0002839200000000, 0.0015567300000000, -0.0005105100000000 ] - [ -0.0007158800000000, -0.0002493300000000, 0.0012030200000000 ] - [ 0.0011738200000000, -0.0013649300000000, 0.0003197700000000 ] - [ 0.0005545700000000, 0.0006329100000000, 0.0000342900000000 ] - [ -0.0005665000000000, -0.0013747400000000, -0.0007273000000000 ] - [ -0.0001938300000000, -0.0012534800000000, 0.0003338400000000 ] - [ -0.0003763700000000, -0.0004377900000000, -0.0004745100000000 ] - [ -0.0001471300000000, -0.0010244900000000, -0.0004984600000000 ] - [ -0.0003946500000000, -0.0004445700000000, 0.0005309800000000 ] - [ 0.0001082600000000, -0.0000652400000000, 0.0000545400000000 ] - [ -0.0002218200000000, -0.0006734500000000, 0.0001600500000000 ] - [ -0.0001555700000000, 0.0001318700000000, -0.0001058200000000 ] - [ 0.0004734600000000, 0.0005528700000000, 0.0002629800000000 ] - [ 0.0021068300000000, -0.0000675100000000, -0.0001708700000000 ] - [ 0.0015711100000000, -0.0018425700000000, 0.0011845100000000 ] - [ 0.0010942600000000, -0.0017189800000000, -0.0014726400000000 ] - [ 0.0000261000000000, -0.0004066800000000, -0.0001177500000000 ] - [ -0.0005643600000000, -0.0009605300000000, -0.0005842100000000 ] - [ 0.0023245300000000, 0.0013531400000000, -0.0009852700000000 ] - [ -0.0002872800000000, -0.0013759100000000, 0.0010336200000000 ] - [ -0.0001742800000000, -0.0004420200000000, 0.0001900300000000 ] - [ 0.0030648000000000, -0.0017761500000000, -0.0027827200000000 ] - [ 0.0006993700000000, -0.0002924900000000, 0.0012353100000000 ] - [ -0.0003250400000000, -0.0000176000000000, 0.0004771900000000 ] - [ 0.0001652200000000, -0.0009599000000000, -0.0003258600000000 ] - [ 0.0013493000000000, 0.0011616700000000, -0.0007382200000000 ] - [ -0.0027257500000000, 0.0069103100000000, 0.0044885300000000 ] - [ 0.0002343000000000, 0.0008245800000000, -0.0000596400000000 ] - [ 0.0002659900000000, 0.0000641500000000, -0.0029558800000000 ] - [ 0.0002136600000000, 0.0003779700000000, -0.0006819400000000 ] - [ -0.0381652600000000, 0.1491899800000000, 0.0991689100000000 ] - [ -0.0005357900000000, -0.0003937400000000, 0.0018305600000000 ] - [ -0.0010041900000000, 0.0014062100000000, -0.0002900800000000 ] - [ 0.0000941700000000, -0.0008330800000000, 0.0001086600000000 ] - [ 0.0005129000000000, -0.0010791000000000, -0.0000517300000000 ] - [ -0.0003319100000000, -0.0003352200000000, 0.0002833300000000 ] - [ 0.0005244700000000, -0.0010141700000000, -0.0001290800000000 ] - [ -0.0000882200000000, -0.0008238500000000, -0.0001154700000000 ] - [ -0.0002764100000000, 0.0003568300000000, -0.0004678700000000 ] - [ -0.0000540300000000, -0.0015491300000000, -0.0003300300000000 ] - [ 0.0004251500000000, 0.0003789600000000, -0.0009470600000000 ]- atom: 56 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003476500000000, 0.0006306900000000, -0.0005769500000000 ] - [ -0.0003841800000000, -0.0007275900000000, 0.0005278900000000 ] - [ 0.0004077200000000, -0.0006609700000000, -0.0000827900000000 ] - [ 0.0004350300000000, -0.0000078800000000, 0.0003958600000000 ] - [ -0.0000150600000000, -0.0005941500000000, -0.0002249400000000 ] - [ -0.0000523900000000, -0.0007987300000000, -0.0000541200000000 ] - [ -0.0001702700000000, -0.0001111500000000, -0.0000214400000000 ] - [ 0.0004311700000000, -0.0000852500000000, 0.0000776400000000 ] - [ 0.0001446000000000, 0.0001696200000000, -0.0004213100000000 ] - [ -0.0000586200000000, -0.0002965300000000, -0.0000332600000000 ] - [ -0.0003076300000000, 0.0007014900000000, -0.0003177200000000 ] - [ -0.0043311700000000, 0.0032863500000000, 0.0018988200000000 ] - [ -0.0033043800000000, 0.0017474600000000, 0.0035983000000000 ] - [ 0.0057899100000000, -0.0002903400000000, 0.0033571200000000 ] - [ 0.0001866100000000, -0.0006104600000000, 0.0002259800000000 ] - [ -0.0005139700000000, 0.0006970800000000, 0.0002051600000000 ] - [ -0.0000269600000000, -0.0006431500000000, -0.0001828600000000 ] - [ -0.0004849800000000, -0.0005604300000000, -0.0002191400000000 ] - [ 0.0003459400000000, 0.0000295300000000, -0.0003909900000000 ] - [ -0.0000306100000000, -0.0003519200000000, -0.0007142900000000 ] - [ 0.0002179400000000, 0.0000169800000000, -0.0007203800000000 ] - [ -0.0000542600000000, -0.0002226900000000, -0.0000606900000000 ] - [ -0.0002576900000000, -0.0003302200000000, 0.0002255600000000 ] - [ 0.0000571600000000, -0.0059514100000000, -0.0013401600000000 ] - [ -0.0001189600000000, 0.0036320600000000, -0.0012408500000000 ] - [ 0.0004546200000000, 0.0015855200000000, -0.0007506000000000 ] - [ -0.0006142400000000, -0.0022413400000000, 0.0012252600000000 ] - [ -0.0001388800000000, -0.0014595700000000, -0.0005360900000000 ] - [ -0.0000623200000000, -0.0000911700000000, 0.0007132500000000 ] - [ 0.0003552800000000, -0.0000536400000000, 0.0002704800000000 ] - [ -0.0007967300000000, -0.0005371800000000, -0.0009514500000000 ] - [ 0.0006940900000000, -0.0017515300000000, -0.0017224700000000 ] - [ 0.0004520100000000, 0.0035717000000000, -0.0008814600000000 ] - [ 0.0000510200000000, -0.0011517600000000, 0.0010905400000000 ] - [ -0.0066593100000000, 0.0065621100000000, -0.0208825400000000 ] - [ 0.0011457600000000, 0.0029715400000000, 0.0007062400000000 ] - [ 0.0004318700000000, -0.0012961400000000, -0.0005526500000000 ] - [ 0.0005687300000000, 0.0002873400000000, -0.0018836900000000 ] - [ -0.0001994000000000, -0.0018495800000000, -0.0001873200000000 ] - [ -0.0040344600000000, -0.0240287400000000, -0.0219510100000000 ] - [ -0.0006481400000000, 0.0004895700000000, 0.0003822000000000 ] - [ 0.0021969900000000, -0.0020203900000000, -0.0007181600000000 ] - [ -0.0000684000000000, -0.0016147700000000, 0.0002645500000000 ] - [ 0.0105313400000000, -0.0066465600000000, 0.0156724500000000 ] - [ -0.0001726600000000, -0.0008404400000000, -0.0002856800000000 ] - [ -0.0001422000000000, -0.0012198000000000, -0.0001709700000000 ] - [ -0.0014879300000000, -0.0012571800000000, -0.0004241200000000 ] - [ 0.0000029700000000, -0.0015133200000000, 0.0004651900000000 ] - [ 0.0034658100000000, 0.0003455700000000, -0.0014154400000000 ] - [ -0.0006976900000000, 0.0006673900000000, -0.0000425500000000 ] - [ 0.0006238300000000, -0.0006746400000000, 0.0012121500000000 ] - [ 0.0004630200000000, -0.0003859200000000, -0.0000733200000000 ] - [ 0.0001263700000000, -0.0002554100000000, -0.0002339400000000 ] - [ 0.0026718400000000, 0.0008969700000000, -0.0018282300000000 ] - [ 0.0000495900000000, -0.0013291800000000, -0.0000194800000000 ] - [ -0.1129735500000000, 0.3473094100000000, 0.1392532800000000 ] - [ 0.0000017300000000, -0.0005633300000000, -0.0000955600000000 ] - [ -0.0008300400000000, -0.0001423600000000, 0.0002279600000000 ] - [ 0.0000230200000000, -0.0006512300000000, -0.0000603200000000 ] - [ 0.0003679600000000, 0.0003173600000000, 0.0000919600000000 ] - [ -0.0000492300000000, -0.0001323200000000, -0.0009975600000000 ] - [ -0.0016821800000000, -0.0011363200000000, 0.0017628600000000 ] - [ -0.0036562100000000, 0.0038718100000000, -0.0000562000000000 ] - [ -0.0003265900000000, -0.0018495700000000, -0.0004724300000000 ] - [ 0.0036420300000000, 0.0024447000000000, -0.0004402700000000 ] - [ -0.0000686800000000, -0.0006050700000000, 0.0006075300000000 ] - [ 0.0003105500000000, -0.0008438800000000, 0.0000188700000000 ] - [ -0.0000510600000000, 0.0003966700000000, -0.0008348000000000 ] - [ 0.0027820200000000, -0.0021216600000000, 0.0000185700000000 ] - [ 0.0008819100000000, 0.0031195300000000, -0.0027349200000000 ] - [ -0.0006194900000000, -0.0005414900000000, 0.0007313600000000 ] - [ 0.0002756200000000, -0.0003134900000000, -0.0000120100000000 ] - [ -0.0004691100000000, -0.0008255900000000, 0.0003072600000000 ] - [ -0.0005530300000000, 0.0001634000000000, 0.0001713200000000 ] - [ 0.0003436500000000, -0.0003132600000000, -0.0016516100000000 ] - [ -0.0000885900000000, 0.0000964700000000, -0.0003596000000000 ] - [ 0.0012254400000000, -0.0002357300000000, -0.0000667900000000 ] - [ -0.0003255100000000, -0.0022358800000000, -0.0000605900000000 ] - [ 0.0000720800000000, -0.0010457400000000, 0.0000442400000000 ] - [ -0.0002899000000000, 0.0001482900000000, 0.0008230000000000 ] - [ 0.0002517000000000, 0.0010217700000000, 0.0001600400000000 ] - [ -0.0001191400000000, 0.0003799300000000, 0.0007583900000000 ] - [ -0.0006194900000000, -0.0017576100000000, 0.0009670900000000 ] - [ -0.0004655300000000, 0.0012168300000000, 0.0000355400000000 ] - [ 0.0001563900000000, -0.0000837300000000, -0.0000040300000000 ] - [ 0.0004574600000000, -0.0004365200000000, 0.0009537800000000 ] - [ 0.0004176500000000, -0.0003162500000000, 0.0000273600000000 ] - [ 0.0862564000000000, -0.1097327500000000, -0.0015457000000000 ] - [ -0.0001489800000000, 0.0000787100000000, -0.0000330100000000 ] - [ 0.0001920500000000, 0.0004001300000000, -0.0000945100000000 ] - [ 0.0002195400000000, 0.0005234300000000, 0.0002704800000000 ] - [ -0.0001064200000000, 0.0019342700000000, 0.0003289200000000 ] - [ -0.0031848800000000, -0.0017582200000000, -0.0006427700000000 ] - [ 0.0005663600000000, 0.0006131900000000, -0.0001846800000000 ] - [ -0.0000309700000000, -0.0001007400000000, 0.0002552500000000 ] - [ 0.0001217900000000, 0.0001610900000000, -0.0001634200000000 ] - [ 0.0001533000000000, -0.0008202700000000, -0.0012343400000000 ] - [ -0.0013874900000000, 0.0004857400000000, 0.0020158200000000 ] - [ -0.0001258400000000, 0.0005914500000000, -0.0000903700000000 ] - [ -0.0002545800000000, 0.0010487100000000, -0.0001823300000000 ] - [ 0.0001938500000000, 0.0003425800000000, 0.0004258000000000 ] - [ -0.0003961300000000, 0.0007690400000000, -0.0005035400000000 ] - [ 0.0003290500000000, -0.0010607100000000, 0.0025208500000000 ] - [ 0.0012663400000000, -0.0012134000000000, 0.0009853600000000 ] - [ 0.0045654200000000, 0.0000665700000000, 0.0022090000000000 ] - [ -0.0003378400000000, 0.0003843600000000, 0.0004217400000000 ] - [ -0.0002292700000000, 0.0005308300000000, -0.0002389100000000 ] - [ 0.0001632100000000, 0.0006236100000000, -0.0003411700000000 ] - [ -0.0002553300000000, 0.0004816500000000, 0.0001247700000000 ] - [ -0.0002579900000000, 0.0011306900000000, 0.0003926100000000 ] - [ -0.0002714600000000, -0.0001996300000000, 0.0009707700000000 ] - [ -0.0020130000000000, 0.0042518500000000, -0.0003262900000000 ] - [ 0.0010821900000000, -0.0006458000000000, 0.0055208000000000 ] - [ -0.0026239900000000, -0.0025734400000000, 0.0030989700000000 ] - [ -0.0001866400000000, -0.0002708700000000, 0.0006267100000000 ] - [ 0.0033423000000000, 0.0023092400000000, -0.0004145900000000 ] - [ 0.0005157400000000, 0.0005854700000000, 0.0002819200000000 ] - [ 0.0024623000000000, -0.0044598800000000, -0.0016225800000000 ] - [ -0.0000605900000000, 0.0006062000000000, -0.0002751900000000 ] - [ 0.0001387400000000, -0.0004141400000000, 0.0000711900000000 ] - [ -0.0000815300000000, -0.0005276900000000, -0.0012561500000000 ] - [ -0.0019429900000000, -0.0004847900000000, -0.0013106600000000 ] - [ 0.0001987300000000, 0.0027508600000000, 0.0011169100000000 ] - [ 0.0004276400000000, 0.0013032900000000, 0.0001570600000000 ] - [ 0.0007182100000000, -0.0005927700000000, -0.0004436100000000 ] - [ -0.0001271400000000, 0.0004187000000000, 0.0006477000000000 ] - [ -0.0004340200000000, 0.0002432800000000, 0.0001548000000000 ] - [ -0.0119980100000000, -0.0587179100000000, -0.0168642900000000 ] - [ 0.0006721100000000, 0.0006226800000000, 0.0001469200000000 ] - [ 0.0009559900000000, 0.0000430700000000, 0.0003031100000000 ] - [ -0.0000831800000000, 0.0000593600000000, 0.0003674400000000 ] - [ -0.0061828000000000, -0.0024291300000000, -0.0009148600000000 ] - [ 0.0015135700000000, -0.0013004800000000, -0.0003600100000000 ] - [ 0.0000665900000000, 0.0020052300000000, 0.0000918400000000 ] - [ -0.0013030000000000, -0.0005752000000000, 0.0034546800000000 ] - [ -0.0000041000000000, -0.0004766200000000, 0.0001621200000000 ] - [ 0.0016734100000000, 0.0001008500000000, -0.0010802300000000 ] - [ -0.0007884400000000, 0.0013011200000000, -0.0007329600000000 ] - [ -0.0003359100000000, 0.0005004000000000, -0.0004014700000000 ] - [ -0.0003763600000000, 0.0012353300000000, 0.0006101000000000 ] - [ -0.0000840000000000, 0.0001680200000000, 0.0000149100000000 ] - [ -0.0001894200000000, 0.0003478700000000, 0.0002673100000000 ] - [ 0.0000790600000000, 0.0011498700000000, -0.0001639100000000 ] - [ -0.0001568300000000, 0.0006180800000000, -0.0000584800000000 ] - [ -0.0003256400000000, 0.0011893000000000, 0.0003147400000000 ] - [ 0.0007123200000000, 0.0007821700000000, -0.0004135500000000 ] - [ -0.0000780900000000, -0.0002695300000000, 0.0005308100000000 ] - [ -0.0014385400000000, -0.0011366000000000, -0.0001307100000000 ] - [ -0.0025767100000000, -0.0007386000000000, 0.0001066400000000 ] - [ -0.0013353600000000, 0.0017094100000000, -0.0008983700000000 ] - [ -0.0008544100000000, 0.0015831100000000, 0.0010410000000000 ] - [ 0.0002070100000000, 0.0005407500000000, -0.0003062800000000 ] - [ 0.0010420100000000, 0.0004501100000000, -0.0002518800000000 ] - [ -0.0019424700000000, -0.0004848700000000, 0.0010461800000000 ] - [ -0.0002078800000000, 0.0012734000000000, -0.0007840900000000 ] - [ -0.0001019400000000, 0.0006816700000000, 0.0001405800000000 ] - [ -0.0027888400000000, 0.0009795600000000, 0.0030121200000000 ] - [ -0.0002126100000000, 0.0002204600000000, -0.0010210000000000 ] - [ 0.0006614700000000, -0.0005212200000000, -0.0010656600000000 ] - [ 0.0001107200000000, 0.0007200000000000, -0.0000044800000000 ] - [ -0.0012194200000000, -0.0011849400000000, -0.0000922700000000 ] - [ 0.0025838600000000, -0.0057420800000000, -0.0041199000000000 ] - [ -0.0004523400000000, -0.0004989600000000, -0.0000575800000000 ] - [ 0.0001257300000000, 0.0000060800000000, 0.0025639900000000 ] - [ -0.0007062000000000, -0.0002673300000000, 0.0009389100000000 ] - [ 0.0403502600000000, -0.1529857500000000, -0.1055477000000000 ] - [ 0.0004019200000000, 0.0004126500000000, -0.0009977000000000 ] - [ 0.0012797500000000, -0.0011424600000000, -0.0000378400000000 ] - [ 0.0001242800000000, 0.0005019200000000, 0.0000087100000000 ] - [ 0.0004514000000000, 0.0004930800000000, -0.0000794400000000 ] - [ -0.0006318000000000, 0.0009217400000000, -0.0001529000000000 ] - [ 0.0000276600000000, 0.0008447400000000, -0.0003442100000000 ] - [ -0.0002373100000000, 0.0009637000000000, -0.0002164600000000 ] - [ -0.0002945400000000, -0.0003813500000000, -0.0001025900000000 ] - [ 0.0004443100000000, 0.0006862500000000, 0.0003936500000000 ] - [ 0.0001293600000000, -0.0002018100000000, 0.0004761300000000 ]- atom: 56 displacement: [ -0.0035230240541542, 0.0000000000000000, 0.0093588621911988 ] forces: - [ -0.0004810300000000, -0.0006689800000000, 0.0013802000000000 ] - [ 0.0000623200000000, 0.0005343600000000, -0.0008002200000000 ] - [ 0.0002095400000000, 0.0005711900000000, -0.0001865700000000 ] - [ -0.0001512600000000, -0.0005288300000000, -0.0005653400000000 ] - [ -0.0000940400000000, -0.0001346500000000, 0.0001393100000000 ] - [ -0.0001541900000000, 0.0003970600000000, -0.0002554300000000 ] - [ -0.0000183000000000, 0.0000351400000000, 0.0002089100000000 ] - [ 0.0004266600000000, 0.0001589200000000, 0.0003866000000000 ] - [ -0.0000830500000000, -0.0002641300000000, 0.0007861200000000 ] - [ 0.0000115500000000, 0.0003339500000000, 0.0002783800000000 ] - [ 0.0006119200000000, -0.0000566100000000, 0.0012363500000000 ] - [ -0.0074582400000000, -0.0048282700000000, 0.0005372600000000 ] - [ -0.0057467400000000, -0.0062236000000000, -0.0006590600000000 ] - [ -0.0016211900000000, -0.0012057600000000, -0.0052488600000000 ] - [ -0.0001177100000000, 0.0003024500000000, -0.0002542300000000 ] - [ 0.0001989800000000, -0.0006234400000000, 0.0007671200000000 ] - [ -0.0001071500000000, 0.0001018300000000, 0.0002096800000000 ] - [ -0.0003719700000000, 0.0001532000000000, 0.0001304600000000 ] - [ -0.0006078700000000, 0.0002529600000000, -0.0004476300000000 ] - [ 0.0001283600000000, 0.0009630000000000, 0.0011485500000000 ] - [ 0.0001519000000000, 0.0003686900000000, 0.0010847000000000 ] - [ -0.0000190600000000, 0.0007885200000000, -0.0003679900000000 ] - [ -0.0003390000000000, 0.0001619500000000, -0.0002131700000000 ] - [ 0.0000122100000000, 0.0050113200000000, 0.0001626000000000 ] - [ 0.0021740800000000, -0.0071459300000000, 0.0225234000000000 ] - [ 0.0011936300000000, -0.0020017500000000, 0.0010798800000000 ] - [ 0.0003051400000000, 0.0001095200000000, -0.0013909000000000 ] - [ -0.0003203900000000, 0.0008402900000000, -0.0004726400000000 ] - [ -0.0006705700000000, -0.0004106000000000, -0.0007982600000000 ] - [ 0.0007143700000000, -0.0010040000000000, -0.0007256900000000 ] - [ 0.0010323300000000, 0.0025589100000000, 0.0013933000000000 ] - [ -0.0008177700000000, 0.0022704300000000, 0.0013760700000000 ] - [ -0.0018621500000000, -0.0021399000000000, 0.0034948700000000 ] - [ 0.0003910700000000, 0.0002626600000000, -0.0012654800000000 ] - [ 0.0055297600000000, -0.0022323200000000, 0.0326359700000000 ] - [ -0.0002157300000000, -0.0027145900000000, -0.0005280900000000 ] - [ -0.0000757700000000, 0.0012496100000000, 0.0008461100000000 ] - [ 0.0002727000000000, -0.0007728800000000, 0.0023652600000000 ] - [ 0.0000794600000000, 0.0011034600000000, -0.0000575000000000 ] - [ -0.0030819900000000, 0.0247174800000000, 0.0067626300000000 ] - [ -0.0012580200000000, -0.0017538900000000, 0.0000913800000000 ] - [ -0.0020201400000000, 0.0029687700000000, 0.0015563900000000 ] - [ 0.0001249300000000, 0.0007610700000000, -0.0001159300000000 ] - [ -0.0001721600000000, -0.0026753800000000, -0.0083874900000000 ] - [ -0.0002488000000000, 0.0001672100000000, 0.0007586300000000 ] - [ 0.0005502900000000, 0.0020244300000000, -0.0009594700000000 ] - [ 0.0020006000000000, 0.0027502200000000, 0.0009198900000000 ] - [ -0.0001576900000000, 0.0008361100000000, 0.0004916800000000 ] - [ -0.0041778400000000, -0.0002165300000000, 0.0012604000000000 ] - [ 0.0034204800000000, 0.0012494300000000, 0.0014779300000000 ] - [ -0.0003882200000000, 0.0006521100000000, -0.0028835900000000 ] - [ -0.0000787900000000, 0.0002059400000000, 0.0008670900000000 ] - [ 0.0002264200000000, 0.0004457900000000, -0.0001838300000000 ] - [ -0.0051441600000000, 0.0020473900000000, 0.0004815200000000 ] - [ 0.0003296100000000, 0.0003752400000000, 0.0000437400000000 ] - [ 0.0954562900000000, -0.1640949100000000, -0.3713548700000000 ] - [ -0.0000626800000000, 0.0007830400000000, -0.0001063900000000 ] - [ 0.0002516600000000, -0.0062587300000000, 0.0017330800000000 ] - [ -0.0000279200000000, 0.0007024300000000, -0.0001035600000000 ] - [ -0.0002822400000000, -0.0012408400000000, 0.0001297300000000 ] - [ 0.0000412900000000, 0.0002433900000000, 0.0012721400000000 ] - [ 0.0022368700000000, 0.0014421400000000, -0.0022220000000000 ] - [ 0.0045493900000000, -0.0013835400000000, 0.0003839600000000 ] - [ -0.0001801300000000, 0.0013219800000000, 0.0008068300000000 ] - [ -0.0019359700000000, -0.0009292600000000, -0.0027959200000000 ] - [ 0.0003734900000000, -0.0002642800000000, -0.0018324400000000 ] - [ -0.0005223700000000, 0.0008048000000000, -0.0002688100000000 ] - [ 0.0002911000000000, -0.0001067400000000, 0.0011338800000000 ] - [ -0.0024397400000000, 0.0016161100000000, -0.0002877600000000 ] - [ -0.0001757400000000, -0.0023576000000000, 0.0037478600000000 ] - [ 0.0000732300000000, 0.0004046500000000, -0.0002290100000000 ] - [ 0.0001536200000000, 0.0007967300000000, 0.0000342200000000 ] - [ 0.0001145400000000, -0.0002027400000000, 0.0004783200000000 ] - [ 0.0002736400000000, 0.0000835900000000, 0.0014899000000000 ] - [ -0.0000689800000000, 0.0010591100000000, 0.0030993600000000 ] - [ -0.0000708700000000, -0.0003213400000000, 0.0011142900000000 ] - [ -0.0011278900000000, -0.0005623200000000, -0.0000277100000000 ] - [ 0.0002442200000000, 0.0019430200000000, -0.0002121600000000 ] - [ 0.0000311300000000, 0.0007139600000000, 0.0001299700000000 ] - [ 0.0006173200000000, -0.0031062700000000, -0.0008303500000000 ] - [ 0.0000691400000000, -0.0002688700000000, -0.0001433600000000 ] - [ -0.0000081300000000, -0.0003222500000000, -0.0001698200000000 ] - [ -0.0001208400000000, 0.0011535900000000, -0.0015990400000000 ] - [ 0.0000786300000000, -0.0003783200000000, -0.0002114100000000 ] - [ 0.0002882500000000, 0.0023046300000000, 0.0011574100000000 ] - [ -0.0002993800000000, 0.0002834200000000, -0.0021854400000000 ] - [ 0.0001214200000000, 0.0000154900000000, -0.0008611000000000 ] - [ -0.0574344600000000, 0.0299210700000000, 0.0496354500000000 ] - [ -0.0003000200000000, -0.0001286400000000, -0.0005637800000000 ] - [ 0.0001705900000000, -0.0007889200000000, 0.0001561900000000 ] - [ -0.0000155600000000, -0.0001967300000000, -0.0001958700000000 ] - [ 0.0000284400000000, -0.0008697500000000, 0.0000533600000000 ] - [ 0.0019439400000000, 0.0011733500000000, 0.0024061900000000 ] - [ -0.0000153800000000, -0.0006767800000000, 0.0015771700000000 ] - [ -0.0000057100000000, -0.0003646200000000, -0.0000490100000000 ] - [ 0.0000584200000000, -0.0010040900000000, -0.0001973700000000 ] - [ 0.0009215600000000, 0.0047412400000000, -0.0011179400000000 ] - [ 0.0023588100000000, -0.0026147100000000, -0.0008038600000000 ] - [ -0.0002859100000000, -0.0004116200000000, 0.0007221200000000 ] - [ -0.0001784100000000, 0.0000975000000000, 0.0001783000000000 ] - [ -0.0001420400000000, -0.0004784500000000, -0.0020905100000000 ] - [ -0.0001748400000000, -0.0004919500000000, 0.0002245000000000 ] - [ -0.0002182800000000, 0.0007929100000000, -0.0031078100000000 ] - [ -0.0039327100000000, -0.0004033900000000, -0.0024431900000000 ] - [ -0.0051436500000000, -0.0024325200000000, -0.0033457700000000 ] - [ -0.0000161000000000, -0.0001563800000000, -0.0005780800000000 ] - [ -0.0002293900000000, -0.0003365400000000, 0.0001901200000000 ] - [ 0.0002664900000000, -0.0000083700000000, -0.0006919000000000 ] - [ 0.0004769700000000, -0.0004624900000000, -0.0004805500000000 ] - [ -0.0000761900000000, -0.0002313100000000, 0.0004638200000000 ] - [ 0.0000060700000000, -0.0002449900000000, -0.0006571300000000 ] - [ 0.0030076800000000, -0.0032715700000000, 0.0023058500000000 ] - [ -0.0007510700000000, 0.0013520800000000, -0.0062718300000000 ] - [ 0.0033832700000000, 0.0019850100000000, -0.0031083600000000 ] - [ -0.0005788000000000, 0.0000567500000000, -0.0005419200000000 ] - [ -0.0029199800000000, -0.0032595700000000, 0.0019169400000000 ] - [ 0.0000663300000000, -0.0003108500000000, -0.0002612800000000 ] - [ -0.0035522600000000, 0.0030151500000000, 0.0004478200000000 ] - [ -0.0002308600000000, -0.0007591800000000, -0.0000054900000000 ] - [ 0.0002804000000000, 0.0006913700000000, 0.0001460000000000 ] - [ -0.0012950800000000, 0.0033742000000000, 0.0001508600000000 ] - [ 0.0013145100000000, 0.0003693100000000, 0.0013554200000000 ] - [ -0.0004703100000000, -0.0033582600000000, -0.0014975300000000 ] - [ -0.0001565500000000, -0.0011426600000000, 0.0000332300000000 ] - [ 0.0010447000000000, 0.0014694800000000, -0.0008794100000000 ] - [ -0.0001480900000000, -0.0004645500000000, -0.0014737300000000 ] - [ 0.0002198900000000, -0.0004719300000000, -0.0007942800000000 ] - [ 0.0383449800000000, 0.0129793300000000, 0.1203006400000000 ] - [ 0.0004395600000000, -0.0001807900000000, 0.0000273000000000 ] - [ -0.0015955000000000, -0.0004652300000000, -0.0006217800000000 ] - [ -0.0006666300000000, -0.0004410100000000, -0.0012744800000000 ] - [ 0.0020029900000000, 0.0010305300000000, 0.0013179700000000 ] - [ -0.0025594000000000, 0.0000444100000000, 0.0003395300000000 ] - [ 0.0001293100000000, -0.0007936700000000, -0.0005484500000000 ] - [ 0.0038483700000000, -0.0020657000000000, -0.0041449400000000 ] - [ 0.0004715600000000, 0.0016061200000000, -0.0005410200000000 ] - [ -0.0022795800000000, 0.0026241300000000, 0.0004391000000000 ] - [ 0.0013497600000000, -0.0014625000000000, 0.0011984500000000 ] - [ 0.0004267300000000, 0.0009252700000000, -0.0000561000000000 ] - [ -0.0004350500000000, -0.0015211400000000, -0.0008626400000000 ] - [ -0.0001253600000000, -0.0007805600000000, 0.0002705400000000 ] - [ -0.0002792400000000, -0.0002076900000000, -0.0007961900000000 ] - [ -0.0001167600000000, -0.0005863300000000, -0.0003997100000000 ] - [ -0.0003350100000000, -0.0001445600000000, 0.0010064900000000 ] - [ 0.0000227500000000, -0.0001816800000000, 0.0000468700000000 ] - [ -0.0001976000000000, -0.0005407600000000, 0.0002827000000000 ] - [ 0.0000637000000000, 0.0005384200000000, -0.0010570900000000 ] - [ 0.0006431600000000, 0.0006569900000000, -0.0001933200000000 ] - [ 0.0024593000000000, -0.0005255100000000, -0.0003011700000000 ] - [ 0.0011444700000000, -0.0007865500000000, 0.0015154100000000 ] - [ 0.0008265700000000, -0.0010233400000000, -0.0004537100000000 ] - [ 0.0000511000000000, -0.0001537500000000, -0.0004160600000000 ] - [ -0.0005616500000000, -0.0009852500000000, 0.0000040400000000 ] - [ 0.0030870600000000, 0.0008562500000000, -0.0010878300000000 ] - [ -0.0002212500000000, -0.0012636900000000, 0.0015688100000000 ] - [ -0.0002433000000000, -0.0000828600000000, 0.0001792900000000 ] - [ 0.0037680500000000, -0.0023534200000000, -0.0031078300000000 ] - [ 0.0006539500000000, 0.0002022100000000, 0.0018316500000000 ] - [ 0.0000758300000000, 0.0006093100000000, 0.0011626800000000 ] - [ 0.0001121100000000, -0.0009568500000000, -0.0003495700000000 ] - [ 0.0005930300000000, 0.0003965700000000, 0.0013584600000000 ] - [ -0.0031191600000000, 0.0090446900000000, -0.0008422500000000 ] - [ -0.0000371600000000, 0.0010654300000000, -0.0002557600000000 ] - [ 0.0006056900000000, -0.0002793800000000, -0.0057743700000000 ] - [ 0.0009677900000000, -0.0002607200000000, -0.0017056600000000 ] - [ -0.0647295800000000, 0.1135340100000000, 0.1705401000000000 ] - [ -0.0005078800000000, -0.0000951700000000, 0.0027142700000000 ] - [ -0.0021227600000000, -0.0016904600000000, -0.0027945700000000 ] - [ 0.0001855100000000, -0.0004766900000000, 0.0000258400000000 ] - [ 0.0005048100000000, -0.0011134100000000, -0.0000230300000000 ] - [ -0.0004377200000000, 0.0000531500000000, 0.0002836300000000 ] - [ 0.0005373000000000, -0.0008041700000000, 0.0001617200000000 ] - [ -0.0000754400000000, -0.0004643800000000, -0.0001594000000000 ] - [ -0.0001684200000000, 0.0004075900000000, -0.0011911900000000 ] - [ -0.0001152400000000, -0.0018046000000000, -0.0003984800000000 ] - [ 0.0002982200000000, 0.0002161100000000, -0.0014105300000000 ]- atom: 56 displacement: [ 0.0035230240541542, 0.0000000000000000, -0.0093588621911988 ] forces: - [ 0.0006703200000000, 0.0004544100000000, -0.0011965800000000 ] - [ -0.0001928400000000, -0.0000973200000000, 0.0007494200000000 ] - [ 0.0004065300000000, -0.0005813300000000, 0.0000410000000000 ] - [ 0.0002458700000000, -0.0001349800000000, 0.0008464300000000 ] - [ 0.0000017700000000, -0.0005285400000000, -0.0004194700000000 ] - [ -0.0000351600000000, -0.0006115000000000, 0.0000706900000000 ] - [ -0.0001718100000000, 0.0001795500000000, -0.0003950300000000 ] - [ 0.0004384600000000, 0.0001758800000000, -0.0001708600000000 ] - [ 0.0001419700000000, 0.0001598800000000, -0.0009004500000000 ] - [ -0.0000699200000000, -0.0002308000000000, -0.0001662800000000 ] - [ -0.0005218100000000, 0.0007209300000000, -0.0009612600000000 ] - [ 0.0074918000000000, 0.0043487000000000, -0.0004829400000000 ] - [ 0.0066884300000000, 0.0059575200000000, 0.0008756200000000 ] - [ 0.0016589100000000, 0.0013229500000000, 0.0051581900000000 ] - [ 0.0000612600000000, -0.0004073100000000, 0.0003684800000000 ] - [ -0.0008198100000000, 0.0006152200000000, -0.0006229200000000 ] - [ -0.0000211600000000, -0.0005403300000000, -0.0002662900000000 ] - [ -0.0004931400000000, -0.0004894400000000, -0.0003468700000000 ] - [ -0.0002550000000000, 0.0000818000000000, 0.0002287900000000 ] - [ -0.0000003800000000, -0.0005287900000000, -0.0010929400000000 ] - [ 0.0004691900000000, -0.0003567600000000, -0.0012338400000000 ] - [ -0.0000737900000000, -0.0001258900000000, 0.0000893800000000 ] - [ -0.0002776200000000, -0.0001522200000000, 0.0003593900000000 ] - [ 0.0001704000000000, -0.0048273400000000, 0.0000200200000000 ] - [ -0.0015609200000000, 0.0068282600000000, -0.0215629800000000 ] - [ -0.0011389400000000, 0.0015318500000000, -0.0007988400000000 ] - [ -0.0006775400000000, -0.0011354000000000, 0.0020533800000000 ] - [ -0.0002035600000000, -0.0011622700000000, -0.0004467800000000 ] - [ 0.0006080900000000, 0.0008916000000000, 0.0005134700000000 ] - [ -0.0005283100000000, 0.0013180800000000, -0.0001486800000000 ] - [ -0.0012237500000000, -0.0022567800000000, -0.0005245500000000 ] - [ 0.0009372900000000, -0.0018952400000000, -0.0012985400000000 ] - [ 0.0014998800000000, 0.0031778600000000, -0.0028450600000000 ] - [ -0.0009229800000000, 0.0000576400000000, 0.0003568400000000 ] - [ -0.0056977500000000, 0.0017563900000000, -0.0329407000000000 ] - [ 0.0004102600000000, 0.0024081400000000, -0.0003368600000000 ] - [ 0.0004731000000000, -0.0010687100000000, -0.0009315800000000 ] - [ 0.0000922300000000, -0.0002466600000000, -0.0030395700000000 ] - [ -0.0001502800000000, -0.0015796900000000, -0.0002322300000000 ] - [ 0.0035203900000000, -0.0248027700000000, -0.0069187200000000 ] - [ 0.0011361000000000, 0.0021240200000000, -0.0001827700000000 ] - [ 0.0025446100000000, -0.0026598400000000, -0.0006345900000000 ] - [ -0.0000084200000000, -0.0011343300000000, 0.0002042400000000 ] - [ -0.0002092200000000, 0.0028364000000000, 0.0085937200000000 ] - [ -0.0001492100000000, -0.0003516000000000, -0.0006749300000000 ] - [ -0.0001767900000000, -0.0009991800000000, 0.0002980200000000 ] - [ -0.0019308600000000, -0.0022827700000000, -0.0006284600000000 ] - [ -0.0000283800000000, -0.0011501400000000, 0.0003810900000000 ] - [ 0.0038768300000000, -0.0002852300000000, -0.0013194300000000 ] - [ -0.0033728800000000, -0.0008626600000000, -0.0013188600000000 ] - [ 0.0008366500000000, -0.0005845100000000, 0.0021950900000000 ] - [ 0.0003721900000000, -0.0003388500000000, -0.0003238200000000 ] - [ 0.0001935000000000, 0.0002145700000000, -0.0000558800000000 ] - [ 0.0046953000000000, -0.0013609200000000, -0.0002506500000000 ] - [ -0.0000146100000000, -0.0008522300000000, 0.0000105400000000 ] - [ -0.1012442400000000, 0.1712846100000000, 0.3761270000000000 ] - [ 0.0000957700000000, -0.0001683300000000, -0.0001101100000000 ] - [ 0.0001732100000000, 0.0056703900000000, -0.0019889400000000 ] - [ -0.0000431100000000, -0.0003060900000000, -0.0000648300000000 ] - [ 0.0002499300000000, 0.0006268000000000, 0.0000863100000000 ] - [ -0.0003343200000000, -0.0001117100000000, -0.0018186500000000 ] - [ -0.0019508500000000, -0.0013140900000000, 0.0027789300000000 ] - [ -0.0045910000000000, 0.0019947900000000, -0.0001649500000000 ] - [ -0.0002415600000000, -0.0019849700000000, -0.0005669700000000 ] - [ 0.0016639800000000, 0.0008102000000000, 0.0022549500000000 ] - [ -0.0001179900000000, 0.0000070600000000, 0.0016931700000000 ] - [ 0.0002684200000000, -0.0005447000000000, 0.0004115100000000 ] - [ 0.0000085000000000, 0.0008866700000000, -0.0015902600000000 ] - [ 0.0021619700000000, -0.0008478300000000, 0.0007418200000000 ] - [ 0.0004314600000000, 0.0026307600000000, -0.0039061500000000 ] - [ -0.0005234100000000, -0.0004742500000000, 0.0009241000000000 ] - [ 0.0001613100000000, -0.0003196800000000, 0.0000193900000000 ] - [ -0.0004156900000000, -0.0005776800000000, -0.0000244300000000 ] - [ -0.0007285300000000, -0.0000139400000000, -0.0008021400000000 ] - [ 0.0005249300000000, -0.0011317500000000, -0.0037975400000000 ] - [ -0.0001815400000000, 0.0000658100000000, -0.0009781500000000 ] - [ 0.0010690600000000, 0.0001655400000000, -0.0001407700000000 ] - [ -0.0002123300000000, -0.0025611400000000, -0.0000050100000000 ] - [ 0.0000399900000000, -0.0011141100000000, 0.0000386200000000 ] - [ -0.0009209900000000, 0.0035767300000000, 0.0007683300000000 ] - [ 0.0004046600000000, 0.0010730400000000, 0.0002099300000000 ] - [ -0.0001227900000000, 0.0003039200000000, 0.0010013100000000 ] - [ -0.0004320900000000, -0.0013290900000000, 0.0020817700000000 ] - [ -0.0003493800000000, 0.0011576500000000, -0.0000298800000000 ] - [ -0.0002219200000000, -0.0024230000000000, -0.0004907400000000 ] - [ 0.0007874100000000, -0.0002124400000000, 0.0024032300000000 ] - [ 0.0003718700000000, -0.0001261000000000, 0.0006104700000000 ] - [ 0.0568840400000000, -0.0296377800000000, -0.0504185000000000 ] - [ -0.0000915300000000, 0.0000594300000000, 0.0009803400000000 ] - [ 0.0003019200000000, -0.0000136300000000, -0.0000916400000000 ] - [ 0.0002430200000000, 0.0003354500000000, 0.0004764700000000 ] - [ -0.0003090200000000, 0.0019602400000000, 0.0002955900000000 ] - [ -0.0024473100000000, -0.0006666200000000, -0.0015819600000000 ] - [ 0.0005827900000000, 0.0006501800000000, -0.0010093400000000 ] - [ -0.0001460800000000, -0.0008152200000000, 0.0003871600000000 ] - [ 0.0001612200000000, -0.0001211700000000, -0.0001706100000000 ] - [ -0.0006634600000000, -0.0039501500000000, 0.0013539000000000 ] - [ -0.0022064800000000, 0.0014227800000000, 0.0004797700000000 ] - [ -0.0001069800000000, 0.0004801200000000, -0.0003078900000000 ] - [ -0.0002109500000000, 0.0007704800000000, -0.0002364300000000 ] - [ 0.0002729200000000, 0.0004986400000000, 0.0012618800000000 ] - [ -0.0003945700000000, 0.0005201200000000, -0.0007961500000000 ] - [ 0.0007919100000000, -0.0007697200000000, 0.0036956100000000 ] - [ 0.0037365400000000, -0.0007296400000000, 0.0028369700000000 ] - [ 0.0054281900000000, 0.0013578400000000, 0.0029952300000000 ] - [ -0.0002213000000000, 0.0002462300000000, 0.0007726500000000 ] - [ -0.0002585500000000, 0.0004081600000000, -0.0004071500000000 ] - [ 0.0002166100000000, 0.0005192600000000, -0.0001415100000000 ] - [ -0.0002418800000000, 0.0003751800000000, 0.0002884600000000 ] - [ -0.0002553600000000, 0.0007715400000000, 0.0001196400000000 ] - [ -0.0003396800000000, -0.0002991300000000, 0.0012477000000000 ] - [ -0.0024524100000000, 0.0032387000000000, -0.0021047900000000 ] - [ 0.0010887600000000, -0.0008172700000000, 0.0057263800000000 ] - [ -0.0033331100000000, -0.0018517100000000, 0.0037943000000000 ] - [ 0.0000967700000000, -0.0005680200000000, 0.0013790300000000 ] - [ 0.0031634500000000, 0.0033571600000000, -0.0021153000000000 ] - [ 0.0004985200000000, 0.0004004100000000, 0.0004685300000000 ] - [ 0.0038968700000000, -0.0028799000000000, -0.0001272300000000 ] - [ -0.0000392000000000, -0.0000196400000000, -0.0002385400000000 ] - [ 0.0000458100000000, -0.0008343000000000, 0.0001864200000000 ] - [ 0.0008192600000000, -0.0025746700000000, -0.0002129000000000 ] - [ -0.0016030800000000, -0.0006097000000000, -0.0010350000000000 ] - [ 0.0001433500000000, 0.0032211600000000, 0.0011688300000000 ] - [ 0.0003781700000000, 0.0014779900000000, 0.0000836600000000 ] - [ -0.0014448600000000, -0.0023552900000000, 0.0008286400000000 ] - [ -0.0000818100000000, 0.0003293000000000, 0.0011921100000000 ] - [ -0.0002886600000000, 0.0003475800000000, 0.0001343200000000 ] - [ -0.0351798100000000, -0.0119411900000000, -0.1173288000000000 ] - [ 0.0005047800000000, 0.0003258900000000, 0.0000962000000000 ] - [ 0.0025755800000000, 0.0010581700000000, 0.0004915600000000 ] - [ 0.0001791500000000, 0.0003708400000000, 0.0010629700000000 ] - [ -0.0022697700000000, -0.0011272700000000, -0.0011324400000000 ] - [ 0.0023451400000000, -0.0003728900000000, -0.0004580000000000 ] - [ 0.0000232700000000, 0.0019735300000000, 0.0002103000000000 ] - [ -0.0047744100000000, 0.0021871200000000, 0.0039995300000000 ] - [ -0.0001895300000000, -0.0005201300000000, 0.0001953500000000 ] - [ 0.0032558600000000, -0.0027979500000000, -0.0003202700000000 ] - [ -0.0009548300000000, 0.0013999000000000, -0.0016207600000000 ] - [ -0.0002112200000000, 0.0002032300000000, -0.0003131600000000 ] - [ -0.0005022300000000, 0.0013825200000000, 0.0007386600000000 ] - [ -0.0001533200000000, -0.0003088000000000, 0.0000767000000000 ] - [ -0.0002833300000000, 0.0001221900000000, 0.0005893800000000 ] - [ 0.0000484900000000, 0.0007106500000000, -0.0002637200000000 ] - [ -0.0002188900000000, 0.0003156700000000, -0.0005327000000000 ] - [ -0.0002433300000000, 0.0013091500000000, 0.0003209000000000 ] - [ 0.0006864000000000, 0.0006487500000000, -0.0005361400000000 ] - [ -0.0002960000000000, -0.0006698100000000, 0.0014841500000000 ] - [ -0.0016218000000000, -0.0012510900000000, 0.0003269800000000 ] - [ -0.0029406900000000, -0.0002700700000000, 0.0002356500000000 ] - [ -0.0009264200000000, 0.0006576000000000, -0.0012466200000000 ] - [ -0.0006028900000000, 0.0008998300000000, 0.0000401800000000 ] - [ 0.0001812000000000, 0.0002847200000000, -0.0000084400000000 ] - [ 0.0010479200000000, 0.0004769800000000, -0.0008401800000000 ] - [ -0.0026878600000000, 0.0000091800000000, 0.0011496300000000 ] - [ -0.0002649800000000, 0.0011554400000000, -0.0013154900000000 ] - [ -0.0000313500000000, 0.0003238200000000, 0.0001520900000000 ] - [ -0.0034990100000000, 0.0015903200000000, 0.0033434300000000 ] - [ -0.0001619500000000, -0.0002715700000000, -0.0016137200000000 ] - [ 0.0002536600000000, -0.0011489700000000, -0.0017438300000000 ] - [ 0.0001631600000000, 0.0007183000000000, 0.0000187700000000 ] - [ -0.0004634900000000, -0.0004191000000000, -0.0021900300000000 ] - [ 0.0029974100000000, -0.0079348100000000, 0.0012095500000000 ] - [ -0.0001815700000000, -0.0007350800000000, 0.0001406200000000 ] - [ -0.0002147200000000, 0.0003459300000000, 0.0053633400000000 ] - [ -0.0014627400000000, 0.0003685000000000, 0.0019621400000000 ] - [ 0.0670940200000000, -0.1224988400000000, -0.1779549400000000 ] - [ 0.0003782000000000, 0.0001121500000000, -0.0018963500000000 ] - [ 0.0024055900000000, 0.0019544600000000, 0.0024945200000000 ] - [ 0.0000346600000000, 0.0001427000000000, 0.0000905300000000 ] - [ 0.0004596100000000, 0.0005263400000000, -0.0001100400000000 ] - [ -0.0005272800000000, 0.0005357000000000, -0.0001508300000000 ] - [ 0.0000149800000000, 0.0006327100000000, -0.0006350900000000 ] - [ -0.0002494200000000, 0.0006045300000000, -0.0001729300000000 ] - [ -0.0004037800000000, -0.0004383900000000, 0.0006212400000000 ] - [ 0.0005025900000000, 0.0009384500000000, 0.0004550400000000 ] - [ 0.0002558700000000, -0.0000460500000000, 0.0009415400000000 ]- atom: 57 displacement: [ 0.0099999639143206, 0.0000000000000000, -0.0000268647033593 ] forces: - [ 0.0000627300000000, -0.0001541100000000, 0.0000904000000000 ] - [ 0.0020890800000000, 0.0028504100000000, -0.0030307300000000 ] - [ -0.0007823300000000, -0.0004979500000000, -0.0007167300000000 ] - [ 0.0000211800000000, -0.0002886500000000, 0.0001917600000000 ] - [ 0.0028565300000000, -0.0030835100000000, -0.0044041100000000 ] - [ 0.0004648300000000, -0.0001156200000000, -0.0001360400000000 ] - [ 0.0032806800000000, 0.0032717800000000, 0.0026969400000000 ] - [ 0.0003539900000000, 0.0005931100000000, -0.0002228900000000 ] - [ -0.0000141000000000, -0.0000084700000000, -0.0000941300000000 ] - [ 0.0014898800000000, 0.0001215500000000, -0.0000760300000000 ] - [ 0.0000876000000000, 0.0003274000000000, 0.0001299200000000 ] - [ 0.0000912500000000, -0.0002261400000000, 0.0000295200000000 ] - [ 0.0001787500000000, -0.0000742500000000, 0.0000876200000000 ] - [ -0.0000061000000000, 0.0000354500000000, -0.0000634600000000 ] - [ 0.0012694800000000, -0.0014091200000000, 0.0027403200000000 ] - [ -0.0000279900000000, 0.0000197300000000, 0.0000751200000000 ] - [ -0.0015610800000000, 0.0000179800000000, -0.0003868700000000 ] - [ 0.0008514900000000, -0.0002380200000000, -0.0000748600000000 ] - [ -0.0004131600000000, 0.0000579400000000, -0.0000248000000000 ] - [ 0.0001513000000000, 0.0000742200000000, 0.0000439600000000 ] - [ 0.0002803200000000, -0.0003283600000000, -0.0002962100000000 ] - [ -0.0017234400000000, 0.0002581600000000, -0.0002370500000000 ] - [ -0.0002932700000000, 0.0002908200000000, 0.0003402800000000 ] - [ 0.0001397600000000, -0.0000157500000000, 0.0000552000000000 ] - [ 0.0002563100000000, -0.0002342700000000, 0.0003330600000000 ] - [ 0.0000418100000000, -0.0003088600000000, 0.0002188800000000 ] - [ -0.0000227500000000, -0.0012515800000000, -0.0005138700000000 ] - [ -0.0002778600000000, 0.0001070800000000, 0.0016115800000000 ] - [ -0.0343342900000000, -0.0117295500000000, 0.0042348300000000 ] - [ 0.0001682500000000, 0.0001706000000000, -0.0004915600000000 ] - [ 0.0000356500000000, 0.0000360700000000, -0.0000318300000000 ] - [ -0.0001395500000000, 0.0000459500000000, -0.0004265500000000 ] - [ -0.0015973900000000, 0.0005004900000000, 0.0009570100000000 ] - [ 0.0057924700000000, -0.0008156100000000, -0.0001176900000000 ] - [ -0.0000200100000000, 0.0001994700000000, 0.0000553300000000 ] - [ 0.0000740700000000, -0.0007027200000000, -0.0003452200000000 ] - [ -0.0023938100000000, -0.0031219000000000, 0.0027801000000000 ] - [ -0.0000750800000000, -0.0003535900000000, -0.0000043500000000 ] - [ 0.0001691700000000, 0.0000064000000000, -0.0029380000000000 ] - [ 0.0001820500000000, 0.0000453000000000, -0.0005372500000000 ] - [ -0.0000789200000000, 0.0001550300000000, 0.0000707900000000 ] - [ -0.0006525600000000, 0.0001726300000000, 0.0004104800000000 ] - [ 0.0404294900000000, -0.0241484700000000, -0.0051341600000000 ] - [ 0.0008787700000000, 0.0002843300000000, 0.0000435200000000 ] - [ 0.0000049200000000, -0.0009189800000000, 0.0009526900000000 ] - [ 0.0031771900000000, 0.0001477500000000, -0.0005699500000000 ] - [ 0.0008808500000000, 0.0007744000000000, 0.0001513600000000 ] - [ 0.0228315400000000, 0.0345191100000000, 0.0046312900000000 ] - [ -0.0003145400000000, -0.0002663700000000, -0.0000274600000000 ] - [ 0.0000741700000000, 0.0001333200000000, 0.0000783100000000 ] - [ -0.0001223800000000, -0.0001473300000000, -0.0003585100000000 ] - [ -0.0009766800000000, 0.0015805500000000, -0.0039051100000000 ] - [ 0.0000737900000000, 0.0004643900000000, -0.0000456900000000 ] - [ -0.0002183700000000, 0.0002757100000000, 0.0001144100000000 ] - [ 0.0071836700000000, 0.0007246200000000, -0.0003659600000000 ] - [ 0.0001052500000000, -0.0003753800000000, -0.0003290900000000 ] - [ -0.5036802700000000, 0.0300837000000000, 0.0321691700000000 ] - [ 0.0015436300000000, 0.0011277600000000, -0.0005130200000000 ] - [ 0.0000575100000000, 0.0004012600000000, -0.0000909500000000 ] - [ 0.0000189300000000, -0.0004080700000000, 0.0001069500000000 ] - [ 0.0001291700000000, -0.0000486200000000, -0.0004346500000000 ] - [ -0.0002460800000000, -0.0001993000000000, -0.0002377700000000 ] - [ 0.0001210900000000, 0.0003515600000000, 0.0000956400000000 ] - [ 0.0005317600000000, -0.0022382000000000, -0.0007072000000000 ] - [ -0.0001791000000000, -0.0000984400000000, -0.0001979600000000 ] - [ 0.0002838200000000, -0.0002374900000000, 0.0001700700000000 ] - [ 0.0006453900000000, -0.0039018000000000, -0.0035359000000000 ] - [ -0.0004912000000000, 0.0000442200000000, -0.0002207400000000 ] - [ 0.0009534600000000, 0.0000054100000000, 0.0003593000000000 ] - [ 0.0002122100000000, 0.0001756900000000, 0.0000009500000000 ] - [ 0.0034749000000000, 0.0002258500000000, 0.0043749500000000 ] - [ 0.0001505100000000, 0.0002131400000000, 0.0002429000000000 ] - [ -0.0009643200000000, -0.0040086700000000, 0.0047886000000000 ] - [ 0.0011337100000000, -0.0006288100000000, 0.0003325400000000 ] - [ 0.0002420700000000, -0.0001080500000000, -0.0004623500000000 ] - [ -0.0013353800000000, -0.0007021700000000, -0.0002764000000000 ] - [ -0.0004856500000000, -0.0035458000000000, -0.0000873800000000 ] - [ 0.0001056900000000, -0.0003845100000000, -0.0004102900000000 ] - [ -0.0010971600000000, 0.0012927800000000, 0.0000803900000000 ] - [ -0.0001838300000000, 0.0001866800000000, -0.0000345400000000 ] - [ 0.0001558000000000, 0.0003900000000000, -0.0001158100000000 ] - [ 0.0000173100000000, -0.0000687000000000, 0.0035513900000000 ] - [ -0.0001410300000000, -0.0002009300000000, 0.0000692900000000 ] - [ -0.0000484900000000, 0.0003833000000000, -0.0003556000000000 ] - [ 0.0000339200000000, 0.0000571100000000, 0.0005036100000000 ] - [ 0.0002276800000000, 0.0001181700000000, 0.0001962300000000 ] - [ -0.0009147200000000, -0.0002024700000000, -0.0004972000000000 ] - [ -0.0003063000000000, -0.0000290000000000, -0.0000304000000000 ] - [ -0.0021397700000000, 0.0002990500000000, 0.0003659800000000 ] - [ -0.0079052500000000, -0.0005222000000000, -0.0009618500000000 ] - [ -0.0006180700000000, 0.0008430300000000, -0.0025917100000000 ] - [ -0.0001661400000000, 0.0006012900000000, 0.0005408100000000 ] - [ -0.0001909900000000, 0.0002838100000000, 0.0003261100000000 ] - [ -0.0000002100000000, -0.0000724800000000, 0.0000327100000000 ] - [ 0.0001084400000000, -0.0006475200000000, 0.0000485900000000 ] - [ 0.0000150500000000, -0.0007194800000000, -0.0001256400000000 ] - [ 0.0001459000000000, 0.0004454800000000, 0.0001179500000000 ] - [ 0.0000433200000000, -0.0004745500000000, -0.0000503500000000 ] - [ -0.0005079100000000, 0.0004151600000000, -0.0026377700000000 ] - [ -0.0001478800000000, 0.0002434400000000, 0.0003746900000000 ] - [ -0.0001331300000000, -0.0000365600000000, -0.0002335700000000 ] - [ 0.0000879100000000, 0.0008557000000000, 0.0026560100000000 ] - [ 0.0002405500000000, 0.0000148300000000, 0.0001929400000000 ] - [ -0.0001208900000000, -0.0005137200000000, 0.0001892700000000 ] - [ -0.0000846000000000, -0.0005945000000000, -0.0001762800000000 ] - [ -0.0004860500000000, 0.0002439300000000, 0.0001543500000000 ] - [ -0.0013501400000000, -0.0033997200000000, -0.0071301900000000 ] - [ -0.0021102600000000, -0.0023229000000000, 0.0034677300000000 ] - [ 0.0029647400000000, -0.0036518400000000, 0.0008822800000000 ] - [ -0.0022625600000000, 0.0039420100000000, 0.0067322600000000 ] - [ 0.0009496200000000, 0.0002146200000000, 0.0010597000000000 ] - [ -0.0007481900000000, -0.0003781300000000, 0.0004558800000000 ] - [ 0.0001184100000000, 0.0002778500000000, -0.0003287600000000 ] - [ 0.0002262800000000, 0.0000856500000000, 0.0002223800000000 ] - [ -0.0004234900000000, -0.0002891200000000, 0.0004675400000000 ] - [ 0.0005451600000000, -0.0000277200000000, 0.0000985500000000 ] - [ 0.0013246600000000, 0.0017278200000000, -0.0013828700000000 ] - [ -0.0000591900000000, 0.0000218100000000, 0.0001386700000000 ] - [ -0.0068684300000000, -0.0007354700000000, 0.0006379900000000 ] - [ 0.0001245200000000, 0.0000841900000000, 0.0000130900000000 ] - [ -0.0002202100000000, 0.0004336300000000, -0.0000030800000000 ] - [ -0.0012581600000000, 0.0013179400000000, 0.0000308400000000 ] - [ -0.0001804200000000, 0.0000367900000000, 0.0000641100000000 ] - [ 0.0000885500000000, 0.0001968100000000, 0.0003789400000000 ] - [ 0.0019012500000000, -0.0034124800000000, -0.0000073600000000 ] - [ 0.0004999300000000, 0.0000812400000000, -0.0000805200000000 ] - [ 0.0000535800000000, -0.0000182800000000, -0.0004298800000000 ] - [ -0.0000891300000000, 0.0000574600000000, -0.0000506300000000 ] - [ 0.0005265500000000, -0.0000455800000000, -0.0003393900000000 ] - [ 0.0004615800000000, 0.0003378000000000, -0.0001056200000000 ] - [ -0.0012358500000000, 0.0005811600000000, 0.0003149000000000 ] - [ -0.0002361700000000, 0.0000133400000000, 0.0000046900000000 ] - [ -0.0002245000000000, -0.0001977300000000, -0.0000783300000000 ] - [ 0.0015908300000000, 0.0037900100000000, -0.0002465500000000 ] - [ -0.0004836200000000, 0.0001099500000000, -0.0000045500000000 ] - [ 0.0001341300000000, 0.0006087100000000, -0.0001901100000000 ] - [ -0.0010732500000000, -0.0007510000000000, 0.0001569600000000 ] - [ 0.0003913000000000, 0.0000395100000000, -0.0002775000000000 ] - [ -0.0001186200000000, 0.0061344900000000, -0.0009800300000000 ] - [ 0.0001531200000000, 0.0009718400000000, 0.0002291300000000 ] - [ 0.1623140700000000, 0.0777984800000000, -0.0120490000000000 ] - [ -0.0002217700000000, 0.0008133000000000, -0.0005945700000000 ] - [ -0.0053549500000000, -0.0000064200000000, 0.0006552700000000 ] - [ -0.0007466400000000, 0.0002446300000000, 0.0002188800000000 ] - [ 0.0002976600000000, -0.0001661700000000, 0.0002095500000000 ] - [ -0.0026095000000000, -0.0010535600000000, -0.0003963700000000 ] - [ 0.0001023800000000, 0.0000912100000000, 0.0000424100000000 ] - [ 0.0005949200000000, 0.0005365800000000, 0.0000968700000000 ] - [ -0.0000724900000000, -0.0003594900000000, -0.0000167900000000 ] - [ -0.0008495900000000, 0.0003537500000000, -0.0002243100000000 ] - [ -0.0004380600000000, 0.0001150700000000, -0.0001518600000000 ] - [ -0.0031282700000000, 0.0034838500000000, -0.0054523400000000 ] - [ 0.0006798000000000, 0.0001753800000000, -0.0003050000000000 ] - [ 0.0002165500000000, 0.0004647300000000, 0.0000155000000000 ] - [ -0.0000114000000000, 0.0002757400000000, 0.0002294900000000 ] - [ -0.0002884700000000, 0.0000622800000000, -0.0001369200000000 ] - [ 0.0003015700000000, -0.0003303700000000, 0.0001198300000000 ] - [ 0.0004283500000000, -0.0000375900000000, 0.0001720500000000 ] - [ 0.0001176000000000, -0.0002444200000000, -0.0003944500000000 ] - [ 0.0036730000000000, -0.0008170000000000, 0.0000515400000000 ] - [ 0.0000806500000000, 0.0000213500000000, -0.0004996100000000 ] - [ -0.0004983200000000, -0.0003378700000000, 0.0005414400000000 ] - [ -0.0001428700000000, 0.0002086900000000, -0.0000552000000000 ] - [ 0.0001883900000000, 0.0000872900000000, -0.0001005600000000 ] - [ -0.0000682500000000, 0.0001207500000000, 0.0001303100000000 ] - [ -0.0001088500000000, 0.0000416700000000, 0.0002694800000000 ] - [ 0.0026432900000000, -0.0005690100000000, 0.0003276000000000 ] - [ 0.0001248700000000, 0.0001999700000000, -0.0000339100000000 ] - [ 0.2478284100000000, -0.0721226700000000, -0.0191186800000000 ] - [ -0.0008768400000000, -0.0030639500000000, -0.0005793200000000 ] - [ -0.0004628100000000, 0.0002136600000000, 0.0004414900000000 ] - [ -0.0011631900000000, 0.0021087100000000, 0.0003711600000000 ] - [ 0.0630637700000000, -0.0329582300000000, -0.0020826400000000 ] - [ 0.0029389200000000, 0.0018269500000000, -0.0000474600000000 ] - [ -0.0008531700000000, 0.0001282400000000, 0.0002528800000000 ] - [ 0.0011013100000000, 0.0007023300000000, 0.0000984300000000 ]- atom: 57 displacement: [ -0.0099999639143206, 0.0000000000000000, 0.0000268647033593 ] forces: - [ 0.0001270200000000, -0.0000615100000000, 0.0000949400000000 ] - [ -0.0022200000000000, -0.0024172300000000, 0.0029833600000000 ] - [ 0.0014013000000000, 0.0004754400000000, 0.0005601900000000 ] - [ 0.0000699900000000, -0.0003768500000000, 0.0000884300000000 ] - [ -0.0029337000000000, 0.0024043300000000, 0.0040995800000000 ] - [ -0.0006534000000000, -0.0000981700000000, -0.0000478900000000 ] - [ -0.0034790000000000, -0.0030750300000000, -0.0028910600000000 ] - [ 0.0005128000000000, -0.0002566000000000, 0.0004415200000000 ] - [ 0.0000717700000000, -0.0000962500000000, -0.0000200100000000 ] - [ -0.0015486100000000, -0.0000186500000000, 0.0001860800000000 ] - [ 0.0000038200000000, 0.0003373700000000, 0.0001497900000000 ] - [ 0.0000370600000000, -0.0002156200000000, 0.0000253600000000 ] - [ 0.0006890800000000, -0.0002610000000000, 0.0001306200000000 ] - [ 0.0000649400000000, 0.0000674200000000, -0.0000504000000000 ] - [ -0.0013255600000000, 0.0012996500000000, -0.0026150800000000 ] - [ -0.0005897500000000, -0.0000306000000000, 0.0000695400000000 ] - [ 0.0014304500000000, -0.0004580600000000, 0.0003438200000000 ] - [ -0.0017177800000000, -0.0000933700000000, -0.0001446100000000 ] - [ -0.0004555300000000, 0.0002767600000000, -0.0001931600000000 ] - [ -0.0000213100000000, 0.0003654500000000, 0.0000101100000000 ] - [ 0.0003378400000000, 0.0003374000000000, 0.0001502400000000 ] - [ 0.0016285700000000, 0.0004079700000000, -0.0000523500000000 ] - [ -0.0003259300000000, -0.0002795700000000, -0.0001942500000000 ] - [ 0.0000511300000000, 0.0002289300000000, 0.0001298700000000 ] - [ 0.0002679100000000, -0.0000886800000000, 0.0005872300000000 ] - [ 0.0000267500000000, -0.0001666900000000, 0.0000697800000000 ] - [ -0.0003454600000000, 0.0002281500000000, 0.0011762700000000 ] - [ -0.0002458300000000, -0.0004258800000000, -0.0025286300000000 ] - [ 0.0341252000000000, 0.0123939600000000, -0.0045381300000000 ] - [ 0.0000179000000000, 0.0001434400000000, -0.0003814700000000 ] - [ -0.0002222500000000, 0.0002767800000000, 0.0009008700000000 ] - [ 0.0002569300000000, 0.0003300700000000, 0.0005149300000000 ] - [ 0.0012212400000000, 0.0005237300000000, -0.0002911300000000 ] - [ -0.0063129000000000, 0.0011244100000000, -0.0008032100000000 ] - [ -0.0000952000000000, -0.0005761500000000, -0.0001434700000000 ] - [ 0.0001111800000000, 0.0003843700000000, -0.0005255800000000 ] - [ 0.0027906800000000, 0.0032423200000000, -0.0028303800000000 ] - [ 0.0004466500000000, -0.0006735000000000, -0.0006598900000000 ] - [ -0.0002393800000000, -0.0004791300000000, 0.0026458200000000 ] - [ 0.0002161600000000, -0.0002297500000000, 0.0004508000000000 ] - [ -0.0000373400000000, 0.0002188600000000, -0.0001544600000000 ] - [ 0.0011709300000000, 0.0001415900000000, 0.0005056600000000 ] - [ -0.0409093800000000, 0.0240998500000000, 0.0053362800000000 ] - [ -0.0012747900000000, -0.0001018000000000, 0.0000440600000000 ] - [ -0.0003946600000000, 0.0007367300000000, -0.0008580000000000 ] - [ -0.0027980300000000, 0.0008878400000000, -0.0000860700000000 ] - [ -0.0008099000000000, -0.0002970300000000, 0.0001360000000000 ] - [ -0.0227445600000000, -0.0345010200000000, -0.0037214600000000 ] - [ -0.0000023400000000, -0.0002125700000000, -0.0000263700000000 ] - [ -0.0000029200000000, 0.0002607800000000, 0.0000904700000000 ] - [ 0.0005714800000000, 0.0002151100000000, -0.0003373300000000 ] - [ 0.0012464000000000, -0.0016972300000000, 0.0044296900000000 ] - [ 0.0003459700000000, 0.0001989600000000, -0.0001917500000000 ] - [ -0.0002017200000000, 0.0003849900000000, 0.0001249300000000 ] - [ -0.0068586100000000, -0.0011963200000000, 0.0004209800000000 ] - [ 0.0001957700000000, -0.0004060600000000, -0.0001266300000000 ] - [ 0.4947715400000000, -0.0146633500000000, -0.0321915000000000 ] - [ -0.0011182000000000, -0.0017868600000000, 0.0002742900000000 ] - [ -0.0001297000000000, -0.0000031900000000, -0.0000779600000000 ] - [ -0.0000500100000000, -0.0002049600000000, 0.0001095100000000 ] - [ -0.0004227700000000, 0.0001816200000000, -0.0001095400000000 ] - [ 0.0005381900000000, 0.0003308100000000, 0.0007799800000000 ] - [ -0.0001533000000000, 0.0002583700000000, 0.0001208200000000 ] - [ -0.0009370000000000, 0.0015819700000000, 0.0009509500000000 ] - [ -0.0001142700000000, -0.0000343000000000, -0.0003452400000000 ] - [ -0.0000306700000000, -0.0000205400000000, -0.0003096300000000 ] - [ -0.0008985600000000, 0.0041665800000000, 0.0036789100000000 ] - [ 0.0007876700000000, 0.0007295400000000, -0.0002282300000000 ] - [ -0.0012505100000000, 0.0007746700000000, 0.0000987500000000 ] - [ 0.0000407700000000, 0.0000827000000000, -0.0001424700000000 ] - [ -0.0039099700000000, -0.0002966900000000, -0.0036639700000000 ] - [ 0.0001666300000000, 0.0002636900000000, -0.0001888300000000 ] - [ 0.0006938800000000, 0.0032581500000000, -0.0043522800000000 ] - [ -0.0015818100000000, 0.0006947300000000, 0.0003563400000000 ] - [ 0.0002093300000000, 0.0000371100000000, -0.0002340600000000 ] - [ 0.0010800800000000, 0.0004469200000000, 0.0004102800000000 ] - [ 0.0004158500000000, 0.0031367400000000, -0.0000798300000000 ] - [ -0.0000735500000000, -0.0002264400000000, 0.0001933900000000 ] - [ 0.0011549600000000, -0.0016858800000000, 0.0000871000000000 ] - [ -0.0001336900000000, 0.0002889300000000, -0.0000195100000000 ] - [ 0.0003186300000000, 0.0004114400000000, 0.0001823100000000 ] - [ -0.0001425300000000, 0.0000487400000000, -0.0027087400000000 ] - [ -0.0004115300000000, 0.0000300300000000, 0.0004037900000000 ] - [ -0.0002259600000000, 0.0003916600000000, 0.0001123900000000 ] - [ 0.0000349500000000, -0.0001775700000000, 0.0001594400000000 ] - [ 0.0002574200000000, -0.0000454900000000, 0.0000187300000000 ] - [ 0.0013989700000000, 0.0000976900000000, 0.0002459000000000 ] - [ -0.0002542600000000, 0.0001155500000000, -0.0001773200000000 ] - [ 0.0017458000000000, -0.0003661500000000, 0.0000493900000000 ] - [ 0.0083703400000000, -0.0002736600000000, 0.0010318900000000 ] - [ 0.0008401200000000, -0.0007141400000000, 0.0028781000000000 ] - [ -0.0001095400000000, 0.0004830400000000, -0.0001938900000000 ] - [ -0.0002889800000000, 0.0002288600000000, 0.0005094900000000 ] - [ 0.0005697700000000, 0.0000432400000000, 0.0005387000000000 ] - [ -0.0002595300000000, -0.0005335900000000, 0.0002863700000000 ] - [ 0.0002041700000000, -0.0004051000000000, -0.0002417900000000 ] - [ 0.0001248600000000, 0.0003325900000000, 0.0001247900000000 ] - [ 0.0001082200000000, -0.0007031000000000, -0.0002875600000000 ] - [ 0.0001157000000000, -0.0003443000000000, 0.0030401800000000 ] - [ -0.0002389000000000, 0.0006219500000000, -0.0004338400000000 ] - [ 0.0002632400000000, 0.0000536700000000, -0.0005986800000000 ] - [ -0.0006595300000000, -0.0008303000000000, -0.0032304900000000 ] - [ 0.0003300200000000, 0.0000137200000000, 0.0003799800000000 ] - [ -0.0000980300000000, -0.0006098000000000, 0.0001791100000000 ] - [ 0.0003573400000000, -0.0004887500000000, -0.0001707500000000 ] - [ 0.0002439200000000, -0.0001533000000000, 0.0000408200000000 ] - [ 0.0008759400000000, 0.0034529500000000, 0.0068801700000000 ] - [ 0.0025895200000000, 0.0028190300000000, -0.0042803100000000 ] - [ -0.0026866700000000, 0.0035471200000000, -0.0010782800000000 ] - [ 0.0019165000000000, -0.0034146100000000, -0.0061619300000000 ] - [ -0.0012809500000000, -0.0007641100000000, -0.0004701300000000 ] - [ 0.0013097100000000, 0.0002895900000000, -0.0002485400000000 ] - [ 0.0002136700000000, 0.0002660100000000, -0.0002566500000000 ] - [ -0.0001568900000000, 0.0000391300000000, 0.0004402200000000 ] - [ -0.0000554900000000, -0.0002226200000000, 0.0003706800000000 ] - [ -0.0003069900000000, 0.0001175700000000, -0.0002921500000000 ] - [ -0.0007870800000000, -0.0016465700000000, 0.0015742800000000 ] - [ 0.0003835200000000, 0.0001155600000000, 0.0001941200000000 ] - [ 0.0065956100000000, -0.0000302000000000, -0.0008835400000000 ] - [ 0.0002001500000000, -0.0002231600000000, 0.0003178100000000 ] - [ -0.0002540800000000, 0.0003687600000000, -0.0000622400000000 ] - [ 0.0009784000000000, -0.0015541100000000, 0.0002990400000000 ] - [ -0.0001450800000000, -0.0001771500000000, -0.0003962300000000 ] - [ 0.0001284600000000, 0.0001334800000000, -0.0002608800000000 ] - [ -0.0022768400000000, 0.0025319800000000, -0.0000570300000000 ] - [ -0.0007252900000000, -0.0002043500000000, -0.0002033100000000 ] - [ -0.0001238500000000, -0.0001019900000000, -0.0002325800000000 ] - [ -0.0001420900000000, 0.0000805900000000, -0.0002323400000000 ] - [ 0.0004155100000000, 0.0001878700000000, 0.0004600000000000 ] - [ 0.0005035900000000, 0.0002498700000000, -0.0000258200000000 ] - [ 0.0007501800000000, -0.0006518500000000, -0.0005265700000000 ] - [ -0.0000015100000000, -0.0001019500000000, 0.0001879800000000 ] - [ 0.0000112500000000, -0.0001315600000000, -0.0000388100000000 ] - [ -0.0014630900000000, -0.0026396400000000, -0.0000916700000000 ] - [ -0.0004584700000000, 0.0000332700000000, -0.0001182200000000 ] - [ 0.0001415300000000, 0.0004772300000000, -0.0001581300000000 ] - [ 0.0020113600000000, 0.0006083000000000, -0.0000355400000000 ] - [ 0.0000022800000000, -0.0001054500000000, -0.0001356000000000 ] - [ 0.0003344600000000, -0.0050083300000000, 0.0006161500000000 ] - [ -0.0011033500000000, -0.0011094500000000, -0.0003496400000000 ] - [ -0.1697021800000000, -0.0862536700000000, 0.0136006400000000 ] - [ -0.0003510800000000, -0.0008880700000000, 0.0003732100000000 ] - [ 0.0052915700000000, 0.0001216400000000, -0.0013243900000000 ] - [ 0.0001912900000000, -0.0000722800000000, 0.0002522800000000 ] - [ -0.0005113700000000, 0.0012847200000000, 0.0001595900000000 ] - [ 0.0030896900000000, 0.0011558300000000, 0.0001410500000000 ] - [ -0.0003343600000000, -0.0002234300000000, 0.0003787300000000 ] - [ -0.0015612400000000, -0.0011148600000000, 0.0000363800000000 ] - [ -0.0004000200000000, -0.0004397900000000, -0.0000487100000000 ] - [ 0.0010758100000000, -0.0004884600000000, 0.0005017500000000 ] - [ 0.0006692800000000, -0.0002483400000000, -0.0002750900000000 ] - [ 0.0033658100000000, -0.0033733100000000, 0.0050588200000000 ] - [ -0.0001966300000000, -0.0006856300000000, -0.0005313500000000 ] - [ 0.0001705500000000, 0.0004024500000000, 0.0000440700000000 ] - [ -0.0004772400000000, -0.0003789200000000, 0.0000274400000000 ] - [ 0.0000107300000000, 0.0001756200000000, 0.0004674400000000 ] - [ -0.0000303100000000, -0.0004433100000000, 0.0001230100000000 ] - [ 0.0000607900000000, -0.0000327100000000, 0.0000465000000000 ] - [ 0.0002148500000000, -0.0002988500000000, -0.0001928600000000 ] - [ -0.0033684400000000, 0.0005736900000000, -0.0003806200000000 ] - [ 0.0000504200000000, -0.0000382100000000, -0.0003358000000000 ] - [ 0.0003457600000000, 0.0015161400000000, -0.0002026700000000 ] - [ -0.0000724300000000, 0.0001227800000000, -0.0000615600000000 ] - [ 0.0002041300000000, -0.0000187600000000, -0.0003128100000000 ] - [ -0.0004169000000000, -0.0000144900000000, 0.0001227900000000 ] - [ -0.0001260500000000, 0.0000964300000000, 0.0001590500000000 ] - [ -0.0027677700000000, 0.0005818500000000, 0.0005011100000000 ] - [ 0.0001509400000000, 0.0000407200000000, -0.0002969400000000 ] - [ -0.2316638600000000, 0.0646128900000000, 0.0177256700000000 ] - [ 0.0018398100000000, 0.0024581800000000, 0.0004459300000000 ] - [ -0.0004998000000000, 0.0003711000000000, -0.0003087400000000 ] - [ 0.0017116600000000, -0.0022833200000000, -0.0008451100000000 ] - [ -0.0628638600000000, 0.0321827200000000, 0.0017502000000000 ] - [ -0.0035018800000000, -0.0018493500000000, -0.0005227200000000 ] - [ 0.0012334000000000, -0.0009961200000000, -0.0001927200000000 ] - [ -0.0005455900000000, -0.0005256600000000, -0.0005678900000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001402800000000, 0.0007936000000000, 0.0001682700000000 ] - [ 0.0023275600000000, 0.0010567100000000, -0.0027963100000000 ] - [ -0.0003670900000000, 0.0037287100000000, 0.0047774800000000 ] - [ 0.0001451600000000, 0.0004111400000000, 0.0002611600000000 ] - [ -0.0021450900000000, -0.0007077500000000, 0.0020347700000000 ] - [ -0.0001071000000000, -0.0010209200000000, -0.0000685800000000 ] - [ 0.0033399400000000, 0.0013942900000000, 0.0024909300000000 ] - [ 0.0007776600000000, 0.0004773000000000, -0.0005591700000000 ] - [ 0.0003061200000000, 0.0009170000000000, -0.0001780900000000 ] - [ -0.0001394800000000, -0.0011241700000000, 0.0002379000000000 ] - [ 0.0000739300000000, 0.0010376200000000, 0.0001536500000000 ] - [ 0.0001058800000000, 0.0004598200000000, -0.0000777100000000 ] - [ 0.0004801000000000, 0.0010350600000000, -0.0002263600000000 ] - [ -0.0000022100000000, 0.0008552200000000, -0.0000517500000000 ] - [ -0.0010500000000000, -0.0009924200000000, -0.0012543800000000 ] - [ -0.0002507400000000, 0.0006326500000000, 0.0002341000000000 ] - [ 0.0000988700000000, -0.0025921700000000, -0.0007405300000000 ] - [ -0.0008462600000000, -0.0005917700000000, -0.0003271100000000 ] - [ -0.0006175900000000, 0.0004715200000000, -0.0003576900000000 ] - [ -0.0003029600000000, 0.0013707400000000, -0.0000209800000000 ] - [ 0.0000340700000000, 0.0004462400000000, 0.0004253000000000 ] - [ -0.0000531300000000, -0.0017508500000000, -0.0004685100000000 ] - [ -0.0002136700000000, 0.0000431600000000, 0.0002416500000000 ] - [ -0.0001276900000000, 0.0010802100000000, 0.0003426000000000 ] - [ 0.0003405300000000, 0.0016685400000000, 0.0004968100000000 ] - [ -0.0000498000000000, 0.0015894900000000, 0.0001964000000000 ] - [ -0.0007024800000000, -0.0005373000000000, 0.0012727600000000 ] - [ -0.0002594300000000, -0.0024691400000000, -0.0007574000000000 ] - [ -0.0144662600000000, 0.0447996600000000, -0.0071808700000000 ] - [ 0.0000379100000000, 0.0011021500000000, -0.0004268100000000 ] - [ 0.0000700200000000, -0.0006420000000000, -0.0004299400000000 ] - [ 0.0002383100000000, -0.0009601900000000, 0.0010777000000000 ] - [ 0.0000694800000000, 0.0052966700000000, 0.0012888500000000 ] - [ -0.0011984800000000, -0.0010709700000000, -0.0009356100000000 ] - [ -0.0000594300000000, 0.0027393000000000, 0.0001754800000000 ] - [ -0.0002159100000000, 0.0031428400000000, -0.0005615600000000 ] - [ -0.0008026400000000, 0.0251369800000000, -0.0148417600000000 ] - [ 0.0007713200000000, 0.0006333900000000, 0.0008863100000000 ] - [ -0.0000048400000000, -0.0024468800000000, -0.0006713100000000 ] - [ 0.0007910900000000, 0.0011296100000000, -0.0009317100000000 ] - [ -0.0000762400000000, 0.0014870600000000, -0.0008919600000000 ] - [ 0.0005599900000000, 0.0047078800000000, 0.0013379000000000 ] - [ -0.0221109900000000, -0.0286973300000000, 0.0044473900000000 ] - [ 0.0001537200000000, 0.0019951800000000, -0.0008037300000000 ] - [ -0.0015318600000000, 0.0004670400000000, -0.0023961500000000 ] - [ -0.0003771000000000, -0.0004497800000000, 0.0004407200000000 ] - [ 0.0001861800000000, 0.0026488700000000, 0.0003476300000000 ] - [ 0.0254268000000000, -0.0147652900000000, 0.0000242800000000 ] - [ -0.0004213000000000, 0.0022670300000000, -0.0001763400000000 ] - [ -0.0000348500000000, 0.0012398400000000, 0.0000390900000000 ] - [ 0.0009142200000000, 0.0006005700000000, 0.0005052000000000 ] - [ 0.0060440900000000, -0.0050601300000000, -0.0012837200000000 ] - [ 0.0002851800000000, -0.0002132900000000, -0.0004927600000000 ] - [ -0.0002727500000000, 0.0010390000000000, 0.0000860300000000 ] - [ -0.0005155800000000, -0.0046280500000000, -0.0000986200000000 ] - [ -0.0003465700000000, 0.0004903500000000, 0.0000941600000000 ] - [ 0.0263739400000000, -0.5162045600000000, 0.0075633800000000 ] - [ 0.0030670800000000, 0.0022531500000000, -0.0016056700000000 ] - [ -0.0000511300000000, -0.0005722300000000, -0.0000301700000000 ] - [ -0.0001137900000000, 0.0010066500000000, 0.0000810900000000 ] - [ -0.0005551300000000, 0.0004103200000000, -0.0004492300000000 ] - [ 0.0003999100000000, 0.0010228300000000, -0.0054708900000000 ] - [ -0.0000586800000000, 0.0021143400000000, 0.0001164900000000 ] - [ -0.0022406100000000, 0.0036315900000000, 0.0020111600000000 ] - [ 0.0002936900000000, 0.0004571900000000, -0.0008163000000000 ] - [ -0.0000270500000000, 0.0004462000000000, 0.0004888600000000 ] - [ -0.0001300200000000, -0.0001768600000000, 0.0012183200000000 ] - [ 0.0007496900000000, 0.0023082200000000, -0.0024093600000000 ] - [ 0.0001143000000000, -0.0002415700000000, -0.0006707900000000 ] - [ 0.0009070000000000, 0.0017158000000000, -0.0001159000000000 ] - [ 0.0004404900000000, -0.0001384400000000, 0.0025116200000000 ] - [ 0.0001831100000000, -0.0011050700000000, 0.0001623200000000 ] - [ -0.0049575300000000, -0.0039441400000000, 0.0002252300000000 ] - [ 0.0000624600000000, 0.0000748900000000, 0.0012602300000000 ] - [ -0.0008320700000000, 0.0009673500000000, 0.0002145500000000 ] - [ 0.0012757900000000, 0.0003132900000000, 0.0053128400000000 ] - [ -0.0017900100000000, 0.0022030500000000, -0.0002892800000000 ] - [ 0.0000913600000000, -0.0017456500000000, -0.0001018600000000 ] - [ 0.0046447000000000, 0.0017307200000000, 0.0002783900000000 ] - [ -0.0000759500000000, 0.0013740400000000, 0.0000451400000000 ] - [ 0.0004284100000000, 0.0016565800000000, 0.0000944800000000 ] - [ -0.0011895100000000, 0.0021376500000000, 0.0028948900000000 ] - [ -0.0012291800000000, -0.0015860000000000, -0.0002435000000000 ] - [ -0.0003616100000000, 0.0019155300000000, -0.0002409500000000 ] - [ -0.0000755300000000, -0.0009489700000000, 0.0002550800000000 ] - [ 0.0004681400000000, -0.0008524700000000, 0.0000270700000000 ] - [ -0.0000654500000000, -0.0006940000000000, -0.0008690800000000 ] - [ 0.0000877800000000, -0.0008769600000000, 0.0001407500000000 ] - [ -0.0001745900000000, 0.0000835400000000, -0.0004803400000000 ] - [ 0.0013553200000000, 0.0031415400000000, 0.0005002500000000 ] - [ 0.0016970200000000, 0.0013841800000000, 0.0010697000000000 ] - [ 0.0000103300000000, 0.0020941200000000, 0.0001803400000000 ] - [ -0.0002619900000000, -0.0006403200000000, 0.0006035400000000 ] - [ 0.0003400200000000, -0.0004583600000000, -0.0002273400000000 ] - [ -0.0001679300000000, -0.0006195700000000, 0.0009006800000000 ] - [ 0.0000779700000000, 0.0002328300000000, -0.0001040800000000 ] - [ -0.0000201000000000, -0.0008293700000000, 0.0001644700000000 ] - [ 0.0000337300000000, -0.0009801900000000, -0.0000308200000000 ] - [ -0.0002083400000000, 0.0010795100000000, -0.0011692800000000 ] - [ -0.0003892200000000, 0.0009818100000000, 0.0000457000000000 ] - [ 0.0001108700000000, -0.0005266100000000, -0.0002363400000000 ] - [ -0.0005479400000000, 0.0007444300000000, -0.0010658900000000 ] - [ 0.0000415100000000, -0.0008969000000000, -0.0000394400000000 ] - [ -0.0001108000000000, -0.0014352300000000, 0.0001705500000000 ] - [ 0.0001193200000000, -0.0022806000000000, -0.0002788000000000 ] - [ 0.0004434700000000, -0.0003305800000000, 0.0003518500000000 ] - [ -0.0036585000000000, 0.0028200900000000, -0.0024224800000000 ] - [ -0.0013463900000000, 0.0039608800000000, -0.0012916400000000 ] - [ -0.0084849600000000, 0.0010273200000000, 0.0058010000000000 ] - [ 0.0017649700000000, 0.0053908900000000, -0.0007608300000000 ] - [ -0.0002237100000000, 0.0007265200000000, -0.0025432300000000 ] - [ -0.0002241100000000, -0.0005328100000000, 0.0007708700000000 ] - [ -0.0000283000000000, -0.0010366600000000, -0.0000029400000000 ] - [ 0.0001394800000000, -0.0026099100000000, 0.0007901200000000 ] - [ -0.0001492200000000, -0.0007864200000000, 0.0007338000000000 ] - [ -0.0011275700000000, -0.0010514200000000, 0.0019854200000000 ] - [ 0.0047004000000000, 0.0008775000000000, 0.0047475600000000 ] - [ 0.0000098600000000, -0.0017884700000000, 0.0000742600000000 ] - [ -0.0013382200000000, 0.0043682000000000, 0.0001080300000000 ] - [ 0.0003448900000000, -0.0012157300000000, 0.0005113400000000 ] - [ -0.0002509800000000, -0.0005723600000000, -0.0000789300000000 ] - [ 0.0012650800000000, -0.0018082600000000, 0.0004601400000000 ] - [ -0.0001471700000000, 0.0009161800000000, -0.0001532600000000 ] - [ -0.0001240700000000, 0.0015869600000000, 0.0002237100000000 ] - [ -0.0032415900000000, -0.0043305800000000, -0.0000034500000000 ] - [ -0.0009867600000000, -0.0035514800000000, 0.0006867900000000 ] - [ -0.0002712000000000, 0.0009182400000000, -0.0006958200000000 ] - [ -0.0000142100000000, -0.0007365000000000, -0.0000296500000000 ] - [ 0.0006707200000000, 0.0007523000000000, 0.0004973500000000 ] - [ 0.0003213600000000, -0.0003659200000000, -0.0001735300000000 ] - [ -0.0001664500000000, 0.0002340500000000, -0.0008468900000000 ] - [ -0.0006230100000000, -0.0009236000000000, 0.0004823600000000 ] - [ 0.0000318100000000, -0.0019313100000000, -0.0001086600000000 ] - [ 0.0067440800000000, -0.0024684300000000, -0.0007246600000000 ] - [ -0.0002606200000000, -0.0006390400000000, 0.0000022300000000 ] - [ 0.0002474900000000, -0.0007005300000000, -0.0000630500000000 ] - [ -0.0009847700000000, -0.0008850500000000, 0.0005956700000000 ] - [ 0.0001146600000000, -0.0010573400000000, -0.0009872800000000 ] - [ 0.0040210500000000, -0.0006941600000000, -0.0003428100000000 ] - [ 0.0000067200000000, -0.0028797000000000, -0.0007111600000000 ] - [ 0.0803307900000000, 0.1326726900000000, -0.0112590400000000 ] - [ 0.0007964900000000, -0.0022931200000000, 0.0023634500000000 ] - [ 0.0014414900000000, 0.0026909100000000, -0.0004932600000000 ] - [ -0.0000999600000000, -0.0002169800000000, 0.0000243700000000 ] - [ -0.0016206800000000, -0.0016584700000000, 0.0000593100000000 ] - [ -0.0001513800000000, 0.0002450600000000, -0.0007512500000000 ] - [ -0.0005149600000000, -0.0016429400000000, 0.0019818800000000 ] - [ 0.0008129500000000, -0.0033951200000000, -0.0000585100000000 ] - [ -0.0003638800000000, -0.0023140700000000, -0.0000438900000000 ] - [ 0.0003269600000000, -0.0000400500000000, 0.0008704800000000 ] - [ 0.0001042500000000, 0.0006933600000000, 0.0003322100000000 ] - [ 0.0014885500000000, 0.0054984500000000, -0.0012230900000000 ] - [ 0.0009875300000000, 0.0002813700000000, 0.0021700300000000 ] - [ 0.0000625600000000, -0.0002577800000000, -0.0001999300000000 ] - [ 0.0001274400000000, -0.0009276200000000, -0.0008517700000000 ] - [ 0.0001442600000000, 0.0004124400000000, 0.0003488400000000 ] - [ 0.0004083700000000, -0.0027799100000000, 0.0001725300000000 ] - [ -0.0001398300000000, -0.0004623600000000, -0.0005729000000000 ] - [ 0.0002286400000000, -0.0010001500000000, -0.0005298500000000 ] - [ -0.0061262100000000, -0.0042646600000000, -0.0010693100000000 ] - [ -0.0000183200000000, -0.0006140300000000, -0.0000033900000000 ] - [ -0.0008942200000000, -0.0020268300000000, 0.0008057100000000 ] - [ -0.0000976400000000, -0.0009467000000000, -0.0000620000000000 ] - [ 0.0004323700000000, -0.0008258100000000, -0.0007679400000000 ] - [ 0.0009331600000000, -0.0015317700000000, -0.0006153200000000 ] - [ -0.0000031500000000, -0.0010125100000000, -0.0000006700000000 ] - [ 0.0001011500000000, -0.0028626300000000, 0.0082381000000000 ] - [ 0.0003248400000000, -0.0005773000000000, -0.0000108700000000 ] - [ -0.0654024400000000, 0.0929430800000000, 0.0051832000000000 ] - [ -0.0011527700000000, 0.0005652400000000, -0.0002660800000000 ] - [ -0.0006182700000000, 0.0005944200000000, -0.0000132800000000 ] - [ 0.0006753900000000, 0.0007920300000000, -0.0009196600000000 ] - [ -0.0334392900000000, 0.2619774800000000, 0.0039541800000000 ] - [ 0.0002264800000000, -0.0043098600000000, -0.0059779800000000 ] - [ 0.0028234500000000, -0.0021840900000000, -0.0013446200000000 ] - [ -0.0010969900000000, -0.0013039400000000, -0.0020208900000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000495100000000, -0.0010102700000000, 0.0000192700000000 ] - [ -0.0024634200000000, -0.0006122400000000, 0.0027434200000000 ] - [ 0.0009810000000000, -0.0037086100000000, -0.0048891500000000 ] - [ -0.0000528300000000, -0.0010774600000000, 0.0000170800000000 ] - [ 0.0020501800000000, 0.0000508400000000, -0.0023096700000000 ] - [ -0.0000835300000000, 0.0008016600000000, -0.0001198100000000 ] - [ -0.0035381300000000, -0.0011766500000000, -0.0026829700000000 ] - [ 0.0000930300000000, -0.0001378800000000, 0.0007782300000000 ] - [ -0.0002457200000000, -0.0010250400000000, 0.0000605100000000 ] - [ 0.0000778500000000, 0.0012310400000000, -0.0001196000000000 ] - [ 0.0000179600000000, -0.0003692600000000, 0.0001236100000000 ] - [ 0.0000257900000000, -0.0009021800000000, 0.0001315600000000 ] - [ 0.0003905100000000, -0.0013724700000000, 0.0004476100000000 ] - [ 0.0000620800000000, -0.0007446500000000, -0.0000646000000000 ] - [ 0.0009847300000000, 0.0008882400000000, 0.0013617800000000 ] - [ -0.0003677700000000, -0.0006401000000000, -0.0000917000000000 ] - [ -0.0002295200000000, 0.0021404800000000, 0.0006965900000000 ] - [ -0.0000263000000000, 0.0002505000000000, 0.0001054100000000 ] - [ -0.0002532700000000, -0.0001316300000000, 0.0001364900000000 ] - [ 0.0004345700000000, -0.0009262700000000, 0.0000739100000000 ] - [ 0.0005860100000000, -0.0004348700000000, -0.0005681100000000 ] - [ -0.0000368900000000, 0.0024149300000000, 0.0001810300000000 ] - [ -0.0004049300000000, -0.0000345800000000, -0.0000986100000000 ] - [ 0.0003172800000000, -0.0008614600000000, -0.0001541500000000 ] - [ 0.0001689100000000, -0.0019907500000000, 0.0004074700000000 ] - [ 0.0001338300000000, -0.0020641900000000, 0.0000855600000000 ] - [ 0.0003109700000000, -0.0004897600000000, -0.0006022100000000 ] - [ -0.0002496300000000, 0.0021395700000000, -0.0001489800000000 ] - [ 0.0145497500000000, -0.0450213200000000, 0.0070458600000000 ] - [ 0.0001446400000000, -0.0007828400000000, -0.0004315300000000 ] - [ -0.0002530400000000, 0.0009616800000000, 0.0012908700000000 ] - [ -0.0001242100000000, 0.0013314700000000, -0.0010012200000000 ] - [ -0.0004617600000000, -0.0042705500000000, -0.0006215400000000 ] - [ 0.0006879500000000, 0.0014090500000000, 0.0000284100000000 ] - [ -0.0000549800000000, -0.0031057100000000, -0.0002511200000000 ] - [ 0.0003991900000000, -0.0034598800000000, -0.0002961100000000 ] - [ 0.0011541600000000, -0.0247849800000000, 0.0146872900000000 ] - [ -0.0003846200000000, -0.0016546200000000, -0.0015522900000000 ] - [ -0.0000800700000000, 0.0019642900000000, 0.0003909100000000 ] - [ -0.0004156900000000, -0.0013101200000000, 0.0008304100000000 ] - [ -0.0000377000000000, -0.0011159900000000, 0.0008154300000000 ] - [ -0.0000545200000000, -0.0043754100000000, -0.0004344000000000 ] - [ 0.0222834100000000, 0.0281022400000000, -0.0043737500000000 ] - [ -0.0005286300000000, -0.0018046200000000, 0.0009050000000000 ] - [ 0.0011550800000000, -0.0006491300000000, 0.0024926700000000 ] - [ 0.0007633700000000, 0.0014695500000000, -0.0011043300000000 ] - [ -0.0000999200000000, -0.0021679600000000, -0.0000656100000000 ] - [ -0.0254623500000000, 0.0142525100000000, 0.0008363900000000 ] - [ 0.0000898000000000, -0.0027431600000000, 0.0001279900000000 ] - [ 0.0000977500000000, -0.0008573600000000, 0.0001241700000000 ] - [ -0.0004737400000000, -0.0005215600000000, -0.0012005400000000 ] - [ -0.0057204300000000, 0.0048875900000000, 0.0018291800000000 ] - [ 0.0001275300000000, 0.0008850300000000, 0.0002630900000000 ] - [ -0.0001403400000000, -0.0003629400000000, 0.0001421600000000 ] - [ 0.0008329600000000, 0.0041351500000000, 0.0001480900000000 ] - [ 0.0006364900000000, -0.0012581600000000, -0.0005514900000000 ] - [ -0.0183922100000000, 0.5019394200000000, -0.0089632900000000 ] - [ -0.0026635600000000, -0.0029192600000000, 0.0013780000000000 ] - [ -0.0000118500000000, 0.0009500900000000, -0.0001323500000000 ] - [ 0.0000858700000000, -0.0016107400000000, 0.0001334800000000 ] - [ 0.0002624800000000, -0.0002677400000000, -0.0000966900000000 ] - [ -0.0001078800000000, -0.0008807300000000, 0.0060195900000000 ] - [ 0.0000305000000000, -0.0015064100000000, 0.0000981000000000 ] - [ 0.0018294500000000, -0.0042890200000000, -0.0017769300000000 ] - [ -0.0005844900000000, -0.0005984600000000, 0.0002713800000000 ] - [ 0.0002830200000000, -0.0007066600000000, -0.0006259500000000 ] - [ -0.0001304400000000, 0.0004424300000000, -0.0010698500000000 ] - [ -0.0004618800000000, -0.0015394800000000, 0.0019484300000000 ] - [ -0.0004054500000000, 0.0010118400000000, 0.0011286000000000 ] - [ -0.0006504700000000, -0.0014527500000000, -0.0000241400000000 ] - [ -0.0008802900000000, 0.0000638400000000, -0.0018115300000000 ] - [ 0.0001478500000000, 0.0015836100000000, -0.0001136400000000 ] - [ 0.0046554600000000, 0.0031636500000000, 0.0002323700000000 ] - [ -0.0005014600000000, 0.0000047300000000, -0.0005590900000000 ] - [ 0.0012698900000000, -0.0010455200000000, -0.0009142100000000 ] - [ -0.0015343400000000, -0.0005661700000000, -0.0051898400000000 ] - [ 0.0017268100000000, -0.0025855400000000, 0.0001265100000000 ] - [ -0.0000628400000000, 0.0011392800000000, -0.0001124800000000 ] - [ -0.0045549200000000, -0.0021086900000000, -0.0001148400000000 ] - [ -0.0002556200000000, -0.0008938100000000, -0.0000932200000000 ] - [ 0.0000933900000000, -0.0008679100000000, -0.0000344600000000 ] - [ 0.0010515400000000, -0.0021462900000000, -0.0020363800000000 ] - [ 0.0006636400000000, 0.0013895300000000, 0.0007071200000000 ] - [ 0.0000669100000000, -0.0011595000000000, -0.0000025900000000 ] - [ 0.0001546700000000, 0.0008710400000000, 0.0004077300000000 ] - [ 0.0000022800000000, 0.0009229000000000, 0.0001664800000000 ] - [ 0.0005274300000000, 0.0006024800000000, 0.0006215600000000 ] - [ -0.0006311800000000, 0.0009562600000000, -0.0003467200000000 ] - [ -0.0002079000000000, -0.0001634900000000, 0.0008616300000000 ] - [ -0.0008102300000000, -0.0039176100000000, -0.0004328100000000 ] - [ -0.0014469500000000, -0.0012442100000000, -0.0007768200000000 ] - [ -0.0002630900000000, -0.0010194000000000, 0.0001692200000000 ] - [ -0.0002231500000000, 0.0011423700000000, 0.0002326500000000 ] - [ 0.0002350700000000, 0.0004302200000000, 0.0008137700000000 ] - [ 0.0000173900000000, -0.0005702200000000, -0.0005643800000000 ] - [ 0.0001474500000000, -0.0013379300000000, -0.0002628500000000 ] - [ 0.0003122000000000, 0.0015839700000000, 0.0000792500000000 ] - [ 0.0001170600000000, -0.0002118800000000, -0.0003039600000000 ] - [ -0.0001747900000000, -0.0010013900000000, 0.0015512500000000 ] - [ -0.0000155000000000, -0.0001040200000000, -0.0000968500000000 ] - [ 0.0000216400000000, 0.0005445600000000, -0.0006135200000000 ] - [ -0.0000284700000000, -0.0007140500000000, 0.0004736800000000 ] - [ 0.0005341700000000, 0.0009239000000000, 0.0006280600000000 ] - [ -0.0001150400000000, 0.0003251300000000, 0.0001966900000000 ] - [ 0.0001323200000000, 0.0012061200000000, -0.0000712300000000 ] - [ -0.0007069300000000, 0.0004430500000000, -0.0001474400000000 ] - [ 0.0031768000000000, -0.0027238800000000, 0.0022283100000000 ] - [ 0.0018270400000000, -0.0034394200000000, 0.0004424100000000 ] - [ 0.0087000000000000, -0.0011342400000000, -0.0059634500000000 ] - [ -0.0020851700000000, -0.0048303600000000, 0.0013337900000000 ] - [ -0.0001060600000000, -0.0012807000000000, 0.0031329700000000 ] - [ 0.0007696200000000, 0.0004469200000000, -0.0005638300000000 ] - [ 0.0003552900000000, 0.0015799400000000, -0.0005836300000000 ] - [ -0.0000593900000000, 0.0026859600000000, -0.0001269100000000 ] - [ -0.0003344300000000, 0.0002830000000000, 0.0001053500000000 ] - [ 0.0013902600000000, 0.0011617300000000, -0.0021892500000000 ] - [ -0.0041430200000000, -0.0007990800000000, -0.0045252000000000 ] - [ 0.0003059100000000, 0.0018867800000000, 0.0002587500000000 ] - [ 0.0010432800000000, -0.0051032200000000, -0.0003507900000000 ] - [ -0.0000285400000000, 0.0011127000000000, -0.0001780800000000 ] - [ -0.0002702300000000, 0.0013588800000000, 0.0000183800000000 ] - [ -0.0015577400000000, 0.0015866300000000, -0.0001266800000000 ] - [ -0.0001692800000000, -0.0010185700000000, -0.0001803600000000 ] - [ 0.0003275800000000, -0.0012569100000000, -0.0001031200000000 ] - [ 0.0028508700000000, 0.0034531600000000, -0.0000499400000000 ] - [ 0.0007420900000000, 0.0034156600000000, -0.0009755400000000 ] - [ 0.0001913100000000, -0.0009952800000000, 0.0000329600000000 ] - [ -0.0002326000000000, 0.0008714400000000, -0.0002631600000000 ] - [ 0.0002811400000000, -0.0005976800000000, -0.0003704000000000 ] - [ 0.0006183400000000, 0.0009321200000000, 0.0000451400000000 ] - [ -0.0003027700000000, -0.0003071000000000, 0.0006498200000000 ] - [ 0.0003596400000000, 0.0008107700000000, -0.0002798300000000 ] - [ -0.0002353600000000, 0.0016004900000000, -0.0000118900000000 ] - [ -0.0065938500000000, 0.0036351600000000, 0.0003829100000000 ] - [ -0.0006897000000000, 0.0007894500000000, -0.0001282200000000 ] - [ 0.0000068500000000, 0.0017725300000000, -0.0002872500000000 ] - [ 0.0019381800000000, 0.0007257000000000, -0.0004687400000000 ] - [ 0.0002700600000000, 0.0009793400000000, 0.0006019200000000 ] - [ -0.0038101100000000, 0.0017979000000000, -0.0000236500000000 ] - [ -0.0009609800000000, 0.0027222000000000, 0.0005856900000000 ] - [ -0.0866355200000000, -0.1378140700000000, 0.0124533800000000 ] - [ -0.0013469700000000, 0.0022159900000000, -0.0025719400000000 ] - [ -0.0015010000000000, -0.0026054000000000, -0.0001744400000000 ] - [ -0.0004663100000000, 0.0004131100000000, 0.0004374400000000 ] - [ 0.0013880400000000, 0.0027565800000000, 0.0003080800000000 ] - [ 0.0006154900000000, -0.0001560300000000, 0.0005055800000000 ] - [ 0.0002831500000000, 0.0014941800000000, -0.0015463600000000 ] - [ -0.0017551900000000, 0.0028292700000000, 0.0001869100000000 ] - [ -0.0001573400000000, 0.0015241200000000, -0.0000164000000000 ] - [ -0.0000809800000000, -0.0000994300000000, -0.0005789800000000 ] - [ 0.0001280700000000, -0.0008399200000000, -0.0007633600000000 ] - [ -0.0012586300000000, -0.0053367300000000, 0.0007918600000000 ] - [ -0.0005038200000000, -0.0007850500000000, -0.0030085300000000 ] - [ 0.0003417900000000, 0.0011321500000000, 0.0002507900000000 ] - [ -0.0005860800000000, 0.0008387600000000, 0.0010932100000000 ] - [ -0.0004328500000000, -0.0001886300000000, -0.0000148300000000 ] - [ -0.0001144900000000, 0.0020217300000000, 0.0000709000000000 ] - [ 0.0006099100000000, 0.0003912100000000, 0.0007643400000000 ] - [ 0.0000985500000000, 0.0004541400000000, -0.0000588100000000 ] - [ 0.0063845100000000, 0.0040169300000000, 0.0007346700000000 ] - [ 0.0001511600000000, 0.0005950000000000, -0.0008489300000000 ] - [ 0.0007466100000000, 0.0032135400000000, -0.0004711300000000 ] - [ -0.0001056200000000, 0.0012741700000000, -0.0000581600000000 ] - [ -0.0000482200000000, 0.0009008800000000, 0.0003851500000000 ] - [ -0.0013930400000000, 0.0016177200000000, 0.0008607300000000 ] - [ -0.0002289900000000, 0.0011586900000000, 0.0004330800000000 ] - [ -0.0002331000000000, 0.0028782200000000, -0.0074039500000000 ] - [ -0.0000364600000000, 0.0007980000000000, -0.0003228700000000 ] - [ 0.0671064000000000, -0.0930062400000000, -0.0051442500000000 ] - [ 0.0020849600000000, -0.0011292200000000, 0.0001374000000000 ] - [ -0.0003210800000000, -0.0000253400000000, 0.0001408200000000 ] - [ -0.0001058900000000, -0.0009845800000000, 0.0004552400000000 ] - [ 0.0294422700000000, -0.2423372100000000, -0.0040096000000000 ] - [ -0.0008079100000000, 0.0042885500000000, 0.0054081800000000 ] - [ -0.0024129800000000, 0.0013028300000000, 0.0013921600000000 ] - [ 0.0016666300000000, 0.0014993500000000, 0.0015627000000000 ]- atom: 57 displacement: [ -0.0035230240541542, 0.0000000000000000, 0.0093588621911988 ] forces: - [ 0.0001097000000000, -0.0000742200000000, 0.0001026800000000 ] - [ -0.0015590100000000, -0.0014532300000000, 0.0014919700000000 ] - [ 0.0006808600000000, 0.0015548900000000, 0.0004707000000000 ] - [ 0.0000477000000000, -0.0003396400000000, 0.0001058000000000 ] - [ -0.0025793400000000, 0.0014583400000000, 0.0021715800000000 ] - [ -0.0003387700000000, -0.0001592200000000, 0.0001049200000000 ] - [ -0.0006815800000000, -0.0004828300000000, -0.0010934100000000 ] - [ 0.0004345300000000, -0.0001388900000000, 0.0003623000000000 ] - [ 0.0000541500000000, -0.0000867800000000, -0.0000471100000000 ] - [ -0.0005988300000000, 0.0001270300000000, 0.0001859800000000 ] - [ 0.0000279400000000, 0.0003251500000000, 0.0001483700000000 ] - [ 0.0000514900000000, -0.0002105400000000, 0.0000370300000000 ] - [ 0.0005380700000000, -0.0002922200000000, 0.0000752000000000 ] - [ 0.0000457800000000, 0.0000547300000000, -0.0000497400000000 ] - [ -0.0001346600000000, 0.0002357700000000, -0.0011711100000000 ] - [ -0.0004374100000000, -0.0000260700000000, 0.0000655500000000 ] - [ 0.0004922100000000, -0.0005462100000000, 0.0018561400000000 ] - [ -0.0009413500000000, -0.0002297600000000, -0.0002116700000000 ] - [ -0.0003913000000000, 0.0001802100000000, -0.0001043200000000 ] - [ 0.0000206400000000, 0.0002683100000000, 0.0000123200000000 ] - [ 0.0002413500000000, 0.0001909600000000, 0.0000670600000000 ] - [ 0.0007000500000000, 0.0002044600000000, 0.0014766600000000 ] - [ -0.0003196100000000, -0.0000158400000000, 0.0000704800000000 ] - [ 0.0000871600000000, 0.0001791700000000, 0.0000849500000000 ] - [ 0.0002438500000000, -0.0001357500000000, 0.0005673800000000 ] - [ 0.0000559700000000, -0.0002189900000000, 0.0001570300000000 ] - [ -0.0002545800000000, 0.0001330500000000, 0.0010257700000000 ] - [ -0.0000471600000000, -0.0002284100000000, -0.0004389800000000 ] - [ 0.0156957900000000, -0.0001493700000000, -0.0068597300000000 ] - [ 0.0000740300000000, 0.0001560000000000, -0.0002902300000000 ] - [ -0.0001878400000000, 0.0001650500000000, 0.0009399900000000 ] - [ 0.0001855600000000, 0.0003727700000000, 0.0008251000000000 ] - [ 0.0005238100000000, 0.0007454100000000, -0.0001401900000000 ] - [ -0.0030193800000000, 0.0006143600000000, -0.0006153600000000 ] - [ -0.0000614900000000, -0.0003787600000000, -0.0001404100000000 ] - [ 0.0000969100000000, 0.0000758300000000, -0.0005284800000000 ] - [ 0.0019186800000000, -0.0012227900000000, -0.0008362300000000 ] - [ 0.0005183500000000, -0.0005355600000000, -0.0004305500000000 ] - [ -0.0003823800000000, -0.0003582500000000, 0.0019475600000000 ] - [ 0.0000327100000000, -0.0002166300000000, 0.0002765500000000 ] - [ -0.0000705600000000, 0.0001514600000000, 0.0000130800000000 ] - [ 0.0006529200000000, 0.0000707100000000, 0.0004810500000000 ] - [ -0.0191296200000000, 0.0114412100000000, -0.0041339500000000 ] - [ -0.0006786900000000, -0.0000151400000000, 0.0000242200000000 ] - [ -0.0002007700000000, -0.0002490500000000, -0.0000243400000000 ] - [ -0.0010611300000000, 0.0010306700000000, -0.0006901600000000 ] - [ -0.0003562100000000, 0.0000106200000000, 0.0000099400000000 ] - [ -0.0069275100000000, -0.0129964100000000, -0.0062807600000000 ] - [ -0.0000980100000000, -0.0002141600000000, -0.0000275300000000 ] - [ 0.0000267700000000, 0.0001945300000000, 0.0000934900000000 ] - [ 0.0004228900000000, 0.0001546200000000, -0.0003870600000000 ] - [ -0.0008294400000000, -0.0002476000000000, 0.0023711300000000 ] - [ 0.0001773100000000, 0.0002329700000000, -0.0000224600000000 ] - [ -0.0002193900000000, 0.0003908500000000, 0.0001382500000000 ] - [ -0.0029712900000000, -0.0007320600000000, 0.0000974000000000 ] - [ 0.0001644800000000, -0.0004079600000000, -0.0001917700000000 ] - [ 0.2049826600000000, 0.0017402600000000, -0.1520958100000000 ] - [ -0.0004066600000000, -0.0009497400000000, 0.0000649600000000 ] - [ -0.0000216200000000, 0.0002072900000000, -0.0000236500000000 ] - [ -0.0000290300000000, -0.0002938100000000, 0.0001085500000000 ] - [ -0.0002215200000000, 0.0000705800000000, -0.0002297600000000 ] - [ 0.0001851300000000, 0.0000390500000000, 0.0011782200000000 ] - [ -0.0000767600000000, 0.0002805600000000, 0.0001090800000000 ] - [ -0.0003019100000000, 0.0002875000000000, 0.0003557400000000 ] - [ -0.0001296300000000, -0.0000602000000000, -0.0002965300000000 ] - [ 0.0000013700000000, 0.0000407600000000, -0.0001778200000000 ] - [ -0.0006917300000000, 0.0034133900000000, 0.0028476700000000 ] - [ 0.0004007000000000, 0.0005534300000000, -0.0003197300000000 ] - [ -0.0005885000000000, 0.0005396900000000, 0.0001816900000000 ] - [ 0.0001102900000000, 0.0001422800000000, -0.0000893200000000 ] - [ -0.0007831500000000, -0.0000880700000000, 0.0001277500000000 ] - [ 0.0003660200000000, 0.0003113200000000, -0.0000450000000000 ] - [ 0.0009239200000000, 0.0007345900000000, -0.0008089600000000 ] - [ -0.0008271100000000, 0.0003443500000000, 0.0003609800000000 ] - [ 0.0001603800000000, 0.0000341200000000, -0.0002898500000000 ] - [ 0.0006454300000000, 0.0008595300000000, 0.0001868600000000 ] - [ 0.0001713700000000, 0.0012770400000000, -0.0001717300000000 ] - [ -0.0002974300000000, -0.0002855400000000, 0.0000742300000000 ] - [ 0.0003013700000000, -0.0008593400000000, -0.0000122700000000 ] - [ -0.0001359600000000, 0.0002844600000000, -0.0000198100000000 ] - [ 0.0001284800000000, 0.0003891700000000, -0.0000134600000000 ] - [ 0.0002813300000000, -0.0000368900000000, -0.0014040800000000 ] - [ -0.0004028700000000, -0.0000723100000000, 0.0003200000000000 ] - [ -0.0003788600000000, 0.0003402000000000, -0.0002555600000000 ] - [ 0.0000422400000000, -0.0001686200000000, 0.0001703400000000 ] - [ 0.0002710600000000, -0.0000073600000000, 0.0000930300000000 ] - [ 0.0007555600000000, 0.0000980900000000, 0.0001106500000000 ] - [ -0.0002607900000000, 0.0000821300000000, -0.0001348500000000 ] - [ 0.0006785000000000, -0.0002038500000000, 0.0001453100000000 ] - [ 0.0043390300000000, -0.0001705600000000, 0.0006276100000000 ] - [ 0.0001733800000000, -0.0002329800000000, 0.0006425600000000 ] - [ 0.0000679300000000, 0.0004797900000000, -0.0002114400000000 ] - [ -0.0002763100000000, 0.0002548700000000, 0.0004709000000000 ] - [ 0.0004208000000000, -0.0000845000000000, 0.0004612000000000 ] - [ -0.0001160000000000, -0.0005017500000000, 0.0001223500000000 ] - [ 0.0001455200000000, -0.0005727600000000, -0.0004317800000000 ] - [ 0.0001373900000000, 0.0003545900000000, 0.0001113200000000 ] - [ 0.0001076300000000, -0.0007017500000000, -0.0002847600000000 ] - [ -0.0002792100000000, -0.0000400500000000, 0.0004341300000000 ] - [ -0.0000786200000000, 0.0005478100000000, -0.0004504700000000 ] - [ 0.0001447300000000, 0.0000664200000000, -0.0004377000000000 ] - [ -0.0004015700000000, -0.0006862400000000, -0.0024344000000000 ] - [ 0.0002907600000000, -0.0000016400000000, 0.0003046800000000 ] - [ -0.0001100000000000, -0.0005614300000000, 0.0001733800000000 ] - [ 0.0002338800000000, -0.0005165800000000, -0.0001566700000000 ] - [ -0.0000273900000000, 0.0000486200000000, 0.0000606100000000 ] - [ -0.0016025400000000, 0.0006763800000000, 0.0022656300000000 ] - [ 0.0013978900000000, 0.0008279100000000, -0.0014500000000000 ] - [ -0.0003787300000000, 0.0024441000000000, -0.0004783200000000 ] - [ 0.0024083000000000, -0.0021289700000000, -0.0029828700000000 ] - [ -0.0005121100000000, -0.0011821200000000, -0.0005376900000000 ] - [ 0.0007065900000000, 0.0000760800000000, -0.0000411400000000 ] - [ 0.0001785700000000, 0.0002563400000000, -0.0002598500000000 ] - [ -0.0000577500000000, 0.0000200500000000, 0.0004346800000000 ] - [ -0.0001619500000000, -0.0002064400000000, 0.0003676300000000 ] - [ 0.0002291400000000, 0.0002338300000000, -0.0004577300000000 ] - [ -0.0006365900000000, 0.0003003600000000, 0.0005526600000000 ] - [ 0.0002629900000000, 0.0000994600000000, 0.0001898500000000 ] - [ 0.0029210000000000, -0.0002247400000000, -0.0004030700000000 ] - [ 0.0001765600000000, -0.0000582500000000, 0.0001699300000000 ] - [ -0.0002514100000000, 0.0003840400000000, -0.0000604500000000 ] - [ 0.0003725800000000, -0.0007720600000000, 0.0002507700000000 ] - [ -0.0000132200000000, -0.0001184900000000, -0.0003559600000000 ] - [ 0.0003194800000000, 0.0002026400000000, -0.0002810300000000 ] - [ -0.0011537800000000, 0.0010126800000000, -0.0000790900000000 ] - [ -0.0005431700000000, -0.0003556800000000, -0.0001503100000000 ] - [ -0.0001631400000000, -0.0001163200000000, -0.0003349800000000 ] - [ -0.0001122800000000, 0.0001009400000000, -0.0001975300000000 ] - [ 0.0003985500000000, 0.0001685200000000, -0.0000314500000000 ] - [ 0.0004562900000000, 0.0003036400000000, -0.0000922400000000 ] - [ 0.0001827400000000, -0.0003023800000000, -0.0003221000000000 ] - [ -0.0000678600000000, -0.0000582700000000, 0.0001445000000000 ] - [ -0.0000525600000000, -0.0001482400000000, -0.0000344100000000 ] - [ -0.0007571900000000, -0.0008806600000000, -0.0002543300000000 ] - [ -0.0004366800000000, 0.0000410100000000, -0.0001119200000000 ] - [ 0.0001452200000000, 0.0005307500000000, -0.0001788700000000 ] - [ 0.0011563800000000, 0.0002325900000000, 0.0000046400000000 ] - [ 0.0000970000000000, -0.0000753700000000, -0.0001128200000000 ] - [ 0.0002712200000000, -0.0021189900000000, 0.0000909100000000 ] - [ -0.0007666800000000, -0.0004220400000000, -0.0002040900000000 ] - [ -0.0724756000000000, -0.0415426000000000, 0.0555523400000000 ] - [ -0.0000360500000000, -0.0004305900000000, 0.0004238900000000 ] - [ 0.0023632500000000, 0.0001910100000000, -0.0004934900000000 ] - [ -0.0000239400000000, -0.0001342700000000, 0.0001862500000000 ] - [ -0.0002095100000000, 0.0009546500000000, 0.0001818600000000 ] - [ 0.0005151300000000, 0.0000625100000000, -0.0002059900000000 ] - [ -0.0002163100000000, -0.0001212900000000, 0.0002971300000000 ] - [ -0.0009522400000000, -0.0006693500000000, 0.0001863700000000 ] - [ -0.0003017800000000, -0.0004182400000000, -0.0000331700000000 ] - [ 0.0004807900000000, -0.0002237100000000, 0.0003261600000000 ] - [ 0.0003208700000000, -0.0000815200000000, -0.0003886000000000 ] - [ 0.0004391300000000, -0.0012367100000000, 0.0024708700000000 ] - [ -0.0000084200000000, -0.0002968100000000, -0.0007609300000000 ] - [ 0.0001716200000000, 0.0003992200000000, 0.0000070600000000 ] - [ -0.0004583600000000, -0.0002506700000000, 0.0001270400000000 ] - [ -0.0001523800000000, 0.0001142100000000, 0.0001777500000000 ] - [ 0.0000557200000000, -0.0004072800000000, 0.0001308500000000 ] - [ 0.0001644700000000, -0.0000645600000000, 0.0000473900000000 ] - [ 0.0002104800000000, -0.0003516300000000, -0.0003061500000000 ] - [ -0.0008905100000000, 0.0005676200000000, -0.0000468600000000 ] - [ 0.0000565400000000, -0.0000142400000000, -0.0004006600000000 ] - [ 0.0001351200000000, 0.0010234900000000, 0.0000187300000000 ] - [ -0.0000995200000000, 0.0001608500000000, -0.0000742100000000 ] - [ 0.0002157400000000, -0.0000041700000000, -0.0002882200000000 ] - [ -0.0002657300000000, -0.0000440000000000, 0.0001200000000000 ] - [ -0.0001167600000000, 0.0000870500000000, 0.0002063400000000 ] - [ -0.0011969900000000, 0.0010549400000000, 0.0002793700000000 ] - [ 0.0001590800000000, 0.0001213900000000, -0.0002733900000000 ] - [ -0.0986030100000000, 0.0284014000000000, 0.0581489100000000 ] - [ 0.0012270100000000, 0.0008586600000000, 0.0003781100000000 ] - [ -0.0005141100000000, 0.0002840800000000, -0.0002144900000000 ] - [ 0.0011877200000000, -0.0018812000000000, -0.0005681500000000 ] - [ -0.0232567200000000, 0.0125428200000000, 0.0478674100000000 ] - [ -0.0015677700000000, -0.0012615800000000, -0.0000087200000000 ] - [ 0.0005393000000000, -0.0007083400000000, 0.0000854200000000 ] - [ -0.0003776900000000, -0.0005061400000000, -0.0004056000000000 ]- atom: 57 displacement: [ 0.0035230240541542, 0.0000000000000000, -0.0093588621911988 ] forces: - [ 0.0000799700000000, -0.0001402800000000, 0.0000833300000000 ] - [ 0.0014168100000000, 0.0018713700000000, -0.0015499700000000 ] - [ -0.0000549200000000, -0.0015458500000000, -0.0006233900000000 ] - [ 0.0000439100000000, -0.0003250000000000, 0.0001727500000000 ] - [ 0.0025161000000000, -0.0021453200000000, -0.0024586000000000 ] - [ 0.0001456500000000, -0.0000557400000000, -0.0002901600000000 ] - [ 0.0004895800000000, 0.0006957900000000, 0.0009139700000000 ] - [ 0.0004334400000000, 0.0004787200000000, -0.0001448700000000 ] - [ 0.0000040800000000, -0.0000168500000000, -0.0000656800000000 ] - [ 0.0005440900000000, -0.0000246200000000, -0.0000705900000000 ] - [ 0.0000635100000000, 0.0003402700000000, 0.0001321500000000 ] - [ 0.0000761600000000, -0.0002291900000000, 0.0000177900000000 ] - [ 0.0003302100000000, -0.0000434300000000, 0.0001397800000000 ] - [ 0.0000131400000000, 0.0000494800000000, -0.0000648800000000 ] - [ 0.0000797100000000, -0.0003423100000000, 0.0012765600000000 ] - [ -0.0001820000000000, 0.0000172700000000, 0.0000792400000000 ] - [ -0.0006270700000000, 0.0001105300000000, -0.0019342900000000 ] - [ 0.0000763300000000, -0.0001049300000000, -0.0000032000000000 ] - [ -0.0004769200000000, 0.0001544000000000, -0.0001147800000000 ] - [ 0.0001080700000000, 0.0001706400000000, 0.0000438900000000 ] - [ 0.0003786500000000, -0.0001837600000000, -0.0002099800000000 ] - [ -0.0007833200000000, 0.0004558700000000, -0.0017324000000000 ] - [ -0.0003003500000000, 0.0000274700000000, 0.0000731300000000 ] - [ 0.0001027500000000, 0.0000353600000000, 0.0000981600000000 ] - [ 0.0002804900000000, -0.0001847900000000, 0.0003534400000000 ] - [ 0.0000132000000000, -0.0002543700000000, 0.0001317300000000 ] - [ -0.0001172000000000, -0.0011440300000000, -0.0003580600000000 ] - [ -0.0004764600000000, -0.0000911800000000, -0.0004747400000000 ] - [ -0.0157838200000000, 0.0007593200000000, 0.0065249800000000 ] - [ 0.0001132700000000, 0.0001621200000000, -0.0005804300000000 ] - [ 0.0000038100000000, 0.0001425000000000, -0.0000655500000000 ] - [ -0.0000725200000000, -0.0000039400000000, -0.0007436600000000 ] - [ -0.0008991600000000, 0.0002832700000000, 0.0008152800000000 ] - [ 0.0024876600000000, -0.0002880300000000, -0.0003021800000000 ] - [ -0.0000550600000000, 0.0000063000000000, 0.0000520300000000 ] - [ 0.0000880800000000, -0.0003858600000000, -0.0003436200000000 ] - [ -0.0015516500000000, 0.0013878000000000, 0.0008132200000000 ] - [ -0.0001500500000000, -0.0004912100000000, -0.0002283700000000 ] - [ 0.0003141400000000, -0.0001156000000000, -0.0022316400000000 ] - [ 0.0003638300000000, 0.0000283100000000, -0.0003644700000000 ] - [ -0.0000475600000000, 0.0002263100000000, -0.0000982900000000 ] - [ -0.0001304800000000, 0.0002419000000000, 0.0004349500000000 ] - [ 0.0191979100000000, -0.0117808200000000, 0.0040468700000000 ] - [ 0.0002794500000000, 0.0002004000000000, 0.0000551900000000 ] - [ -0.0001950200000000, 0.0000703400000000, 0.0001183700000000 ] - [ 0.0014269100000000, -0.0000002100000000, 0.0000097600000000 ] - [ 0.0004251100000000, 0.0004615600000000, 0.0002776300000000 ] - [ 0.0066669600000000, 0.0126474400000000, 0.0072180700000000 ] - [ -0.0002186800000000, -0.0002618900000000, -0.0000263200000000 ] - [ 0.0000449800000000, 0.0001997600000000, 0.0000755800000000 ] - [ 0.0000321200000000, -0.0000813100000000, -0.0003112300000000 ] - [ 0.0011499000000000, 0.0001067100000000, -0.0018370700000000 ] - [ 0.0002382700000000, 0.0004338500000000, -0.0002147500000000 ] - [ -0.0002014600000000, 0.0002683800000000, 0.0001018600000000 ] - [ 0.0032798300000000, 0.0002459100000000, -0.0000411800000000 ] - [ 0.0001356400000000, -0.0003731100000000, -0.0002654800000000 ] - [ -0.2059965300000000, 0.0020455900000000, 0.1519917300000000 ] - [ 0.0008369300000000, 0.0002959900000000, -0.0003110200000000 ] - [ -0.0000460000000000, 0.0001931300000000, -0.0001441500000000 ] - [ -0.0000024100000000, -0.0003178200000000, 0.0001078400000000 ] - [ -0.0000716900000000, 0.0000633500000000, -0.0003102300000000 ] - [ 0.0001072800000000, 0.0000939500000000, -0.0006305700000000 ] - [ 0.0000437200000000, 0.0003321700000000, 0.0001072900000000 ] - [ -0.0001118700000000, -0.0009625600000000, -0.0001266700000000 ] - [ -0.0001628300000000, -0.0000716900000000, -0.0002505500000000 ] - [ 0.0002486900000000, -0.0002958000000000, 0.0000329800000000 ] - [ 0.0004308400000000, -0.0030943500000000, -0.0026638800000000 ] - [ -0.0001026800000000, 0.0002230700000000, -0.0001303000000000 ] - [ 0.0002842000000000, 0.0002380800000000, 0.0002665800000000 ] - [ 0.0001437700000000, 0.0001180600000000, -0.0000506300000000 ] - [ 0.0003428900000000, 0.0000162700000000, 0.0005828300000000 ] - [ -0.0000512600000000, 0.0001613800000000, 0.0000999200000000 ] - [ -0.0012238700000000, -0.0015181900000000, 0.0012741500000000 ] - [ 0.0003826800000000, -0.0002768900000000, 0.0003392900000000 ] - [ 0.0002906700000000, -0.0001036700000000, -0.0004026300000000 ] - [ -0.0009046400000000, -0.0011326800000000, -0.0000357000000000 ] - [ -0.0002427500000000, -0.0016646200000000, 0.0000027100000000 ] - [ 0.0003300700000000, -0.0003327500000000, -0.0002903900000000 ] - [ -0.0002419000000000, 0.0004597800000000, 0.0001810100000000 ] - [ -0.0001806200000000, 0.0001948400000000, -0.0000336800000000 ] - [ 0.0003456600000000, 0.0004150300000000, 0.0000771200000000 ] - [ -0.0004181800000000, 0.0000179300000000, 0.0022405100000000 ] - [ -0.0001499700000000, -0.0000993100000000, 0.0001513200000000 ] - [ 0.0001100200000000, 0.0004398400000000, 0.0000131700000000 ] - [ 0.0000259500000000, 0.0000414900000000, 0.0004922200000000 ] - [ 0.0002138600000000, 0.0000779100000000, 0.0001199700000000 ] - [ -0.0002710400000000, -0.0002066800000000, -0.0003678500000000 ] - [ -0.0003002200000000, 0.0000053600000000, -0.0000700200000000 ] - [ -0.0010749000000000, 0.0001354800000000, 0.0002594200000000 ] - [ -0.0038386900000000, -0.0006260500000000, -0.0005551000000000 ] - [ 0.0000524400000000, 0.0003716500000000, -0.0003691600000000 ] - [ -0.0003456400000000, 0.0006109200000000, 0.0005606700000000 ] - [ -0.0002049900000000, 0.0002558100000000, 0.0003660700000000 ] - [ 0.0001502900000000, 0.0000551700000000, 0.0001155600000000 ] - [ -0.0000333100000000, -0.0006821800000000, 0.0002139400000000 ] - [ 0.0000700800000000, -0.0005551300000000, 0.0000619400000000 ] - [ 0.0001314900000000, 0.0004225000000000, 0.0001320800000000 ] - [ 0.0000444700000000, -0.0004723600000000, -0.0000539400000000 ] - [ -0.0001149100000000, 0.0001080400000000, -0.0000241600000000 ] - [ -0.0003042900000000, 0.0003144800000000, 0.0003903700000000 ] - [ -0.0000135100000000, -0.0000481100000000, -0.0003973700000000 ] - [ -0.0001707000000000, 0.0007011600000000, 0.0018392800000000 ] - [ 0.0002795100000000, 0.0000292900000000, 0.0002650100000000 ] - [ -0.0001096800000000, -0.0005643300000000, 0.0001945000000000 ] - [ 0.0000415100000000, -0.0005682700000000, -0.0001909600000000 ] - [ -0.0002116100000000, 0.0000410200000000, 0.0001313900000000 ] - [ 0.0010983000000000, -0.0006100300000000, -0.0024779400000000 ] - [ -0.0009327200000000, -0.0003207500000000, 0.0006023100000000 ] - [ 0.0006085300000000, -0.0025657000000000, 0.0002782800000000 ] - [ -0.0026892200000000, 0.0026287300000000, 0.0035367600000000 ] - [ 0.0001815700000000, 0.0006529400000000, 0.0011285000000000 ] - [ -0.0001360700000000, -0.0001632800000000, 0.0002508400000000 ] - [ 0.0001530800000000, 0.0002848400000000, -0.0003255500000000 ] - [ 0.0001255300000000, 0.0001038900000000, 0.0002286400000000 ] - [ -0.0003190200000000, -0.0003060600000000, 0.0004673400000000 ] - [ 0.0000083100000000, -0.0001423400000000, 0.0002636500000000 ] - [ 0.0012050800000000, -0.0002174600000000, -0.0003614200000000 ] - [ 0.0000621300000000, 0.0000362900000000, 0.0001430200000000 ] - [ -0.0031967400000000, -0.0005502700000000, 0.0001682400000000 ] - [ 0.0001492100000000, -0.0000833700000000, 0.0001610800000000 ] - [ -0.0002225100000000, 0.0004172400000000, -0.0000047300000000 ] - [ -0.0006439900000000, 0.0005251500000000, 0.0000819400000000 ] - [ -0.0003124000000000, -0.0000166000000000, 0.0000244100000000 ] - [ -0.0001006400000000, 0.0001340300000000, 0.0003955900000000 ] - [ 0.0007613500000000, -0.0019037000000000, 0.0000194700000000 ] - [ 0.0003155800000000, 0.0002253900000000, -0.0001358600000000 ] - [ 0.0000952600000000, -0.0000020400000000, -0.0003297200000000 ] - [ -0.0001179600000000, 0.0000375700000000, -0.0000831100000000 ] - [ 0.0005464500000000, -0.0000279200000000, 0.0001531800000000 ] - [ 0.0005088000000000, 0.0002851500000000, -0.0000404000000000 ] - [ -0.0006729900000000, 0.0002340100000000, 0.0001025500000000 ] - [ -0.0001691500000000, -0.0000316800000000, 0.0000506300000000 ] - [ -0.0001629800000000, -0.0001833700000000, -0.0000822200000000 ] - [ 0.0008821100000000, 0.0020807600000000, -0.0000856400000000 ] - [ -0.0005043600000000, 0.0001020500000000, -0.0000115200000000 ] - [ 0.0001332400000000, 0.0005548300000000, -0.0001700300000000 ] - [ -0.0002178300000000, -0.0003792600000000, 0.0001223800000000 ] - [ 0.0002943600000000, 0.0000076100000000, -0.0002969200000000 ] - [ -0.0000385200000000, 0.0032232100000000, -0.0004611400000000 ] - [ -0.0001728900000000, 0.0002897900000000, 0.0000850200000000 ] - [ 0.0711508900000000, 0.0393564300000000, -0.0558883500000000 ] - [ -0.0005358700000000, 0.0003488300000000, -0.0006423700000000 ] - [ -0.0024329800000000, -0.0000560600000000, -0.0001628100000000 ] - [ -0.0005249700000000, 0.0003011500000000, 0.0002891000000000 ] - [ -0.0000051600000000, 0.0001750900000000, 0.0001865100000000 ] - [ -0.0000400900000000, 0.0000371000000000, -0.0000462100000000 ] - [ -0.0000152100000000, -0.0000118400000000, 0.0001233900000000 ] - [ -0.0000131100000000, 0.0000733200000000, -0.0000553500000000 ] - [ -0.0001706100000000, -0.0003839200000000, -0.0000323300000000 ] - [ -0.0002505000000000, 0.0000857800000000, -0.0000387600000000 ] - [ -0.0000875600000000, -0.0000474300000000, -0.0000298800000000 ] - [ -0.0002120500000000, 0.0013734900000000, -0.0029096900000000 ] - [ 0.0004893200000000, -0.0002114000000000, -0.0000740200000000 ] - [ 0.0002164500000000, 0.0004678200000000, 0.0000514900000000 ] - [ -0.0000345300000000, 0.0001394700000000, 0.0001288800000000 ] - [ -0.0001275800000000, 0.0001215900000000, 0.0001523200000000 ] - [ 0.0002132500000000, -0.0003700300000000, 0.0001127600000000 ] - [ 0.0003228300000000, -0.0000071900000000, 0.0001714800000000 ] - [ 0.0001224000000000, -0.0001918000000000, -0.0002783900000000 ] - [ 0.0011870900000000, -0.0007871200000000, -0.0002825900000000 ] - [ 0.0000748800000000, -0.0000046600000000, -0.0004296700000000 ] - [ -0.0002890100000000, 0.0001477300000000, 0.0003241300000000 ] - [ -0.0001181000000000, 0.0001696400000000, -0.0000430100000000 ] - [ 0.0001767200000000, 0.0000702700000000, -0.0001298800000000 ] - [ -0.0002197600000000, 0.0001486000000000, 0.0001296700000000 ] - [ -0.0001170300000000, 0.0000489200000000, 0.0002226700000000 ] - [ 0.0010568300000000, -0.0010236700000000, 0.0005632500000000 ] - [ 0.0001158200000000, 0.0001198900000000, -0.0000586400000000 ] - [ 0.1007397600000000, -0.0295998500000000, -0.0570904100000000 ] - [ -0.0002543600000000, -0.0014437700000000, -0.0005077600000000 ] - [ -0.0004515800000000, 0.0002985800000000, 0.0003455400000000 ] - [ -0.0006205200000000, 0.0016784100000000, 0.0000962300000000 ] - [ 0.0232321100000000, -0.0136672100000000, -0.0484331200000000 ] - [ 0.0010013000000000, 0.0012404400000000, -0.0005850000000000 ] - [ -0.0001611200000000, -0.0001536200000000, -0.0000183600000000 ] - [ 0.0009367900000000, 0.0006863700000000, -0.0000702700000000 ]- atom: 66 displacement: [ 0.0099999639143206, 0.0000000000000000, -0.0000268647033593 ] forces: - [ 0.0000198900000000, -0.0002144800000000, -0.0000122400000000 ] - [ -0.0000888100000000, -0.0001860300000000, -0.0000821300000000 ] - [ 0.0010471700000000, 0.0001122600000000, -0.0005775000000000 ] - [ 0.0074119500000000, -0.0055878400000000, 0.0026570000000000 ] - [ -0.0000470700000000, -0.0004883700000000, -0.0000828800000000 ] - [ -0.0004865800000000, -0.0015144900000000, 0.0000425800000000 ] - [ -0.0001004600000000, -0.0000833400000000, -0.0001055200000000 ] - [ 0.0005860900000000, 0.0004658600000000, 0.0008177900000000 ] - [ 0.0001987600000000, -0.0000036000000000, 0.0002534800000000 ] - [ -0.0000004000000000, -0.0000614400000000, 0.0001452600000000 ] - [ 0.0000833800000000, 0.0002866500000000, 0.0003052100000000 ] - [ -0.0005051500000000, -0.0014314200000000, -0.0001628200000000 ] - [ 0.0005414500000000, -0.0003663500000000, 0.0000940300000000 ] - [ 0.0006310400000000, 0.0001781800000000, -0.0002229900000000 ] - [ -0.0000298200000000, -0.0003030000000000, -0.0000016800000000 ] - [ -0.0003478300000000, -0.0002318900000000, 0.0001665300000000 ] - [ -0.0001443600000000, -0.0004792300000000, 0.0002381300000000 ] - [ -0.0005384300000000, 0.0002413600000000, -0.0000673000000000 ] - [ -0.0004090100000000, -0.0001684400000000, -0.0001800300000000 ] - [ -0.0001964000000000, 0.0003879500000000, 0.0000666300000000 ] - [ 0.0002826900000000, -0.0001891500000000, -0.0000356100000000 ] - [ 0.0002405200000000, 0.0000231900000000, -0.0001320500000000 ] - [ 0.0074716100000000, 0.0094817100000000, -0.0061658400000000 ] - [ 0.0033166100000000, 0.0030306800000000, -0.0037551700000000 ] - [ -0.0001035700000000, 0.0000227800000000, 0.0005732900000000 ] - [ 0.0005918400000000, -0.0007684100000000, -0.0005469100000000 ] - [ 0.0194258300000000, -0.0076401000000000, 0.0082112300000000 ] - [ -0.0006654600000000, -0.0004778100000000, -0.0002238700000000 ] - [ 0.0001014600000000, -0.0003634000000000, -0.0002502000000000 ] - [ 0.0016971100000000, 0.0011885600000000, -0.0000349300000000 ] - [ 0.0000380300000000, -0.0006082000000000, 0.0004991900000000 ] - [ -0.0001032900000000, -0.0006903200000000, 0.0001086300000000 ] - [ -0.0001236200000000, 0.0000103000000000, 0.0004115800000000 ] - [ -0.0003937400000000, -0.0005734500000000, -0.0004878000000000 ] - [ -0.0009030900000000, -0.0005061600000000, -0.0002229300000000 ] - [ 0.0006366600000000, -0.0014215200000000, 0.0002374300000000 ] - [ 0.0004775400000000, 0.0007993300000000, 0.0001597300000000 ] - [ 0.0002390200000000, -0.0011683700000000, -0.0003215000000000 ] - [ 0.0011472500000000, -0.0017226600000000, 0.0012829300000000 ] - [ 0.0000089200000000, -0.0008563800000000, -0.0001582900000000 ] - [ -0.0053308800000000, 0.0064788700000000, -0.0024485500000000 ] - [ 0.0017681600000000, 0.0005866800000000, 0.0003057500000000 ] - [ 0.0002244100000000, -0.0004341100000000, -0.0013755400000000 ] - [ -0.0005544400000000, -0.0010377500000000, 0.0000367400000000 ] - [ -0.0012689000000000, 0.0013924900000000, 0.0003993800000000 ] - [ -0.0098365700000000, 0.0016539200000000, -0.0128811900000000 ] - [ -0.0007226300000000, 0.0005936700000000, 0.0090248600000000 ] - [ -0.0000015500000000, 0.0006643600000000, 0.0001006400000000 ] - [ 0.0003537200000000, -0.0002143900000000, -0.0000201200000000 ] - [ 0.0001451600000000, -0.0001002300000000, 0.0000749300000000 ] - [ 0.0045389700000000, 0.0027341900000000, -0.0006856100000000 ] - [ 0.0001223900000000, 0.0000942200000000, 0.0010028300000000 ] - [ -0.0024731100000000, 0.0001185700000000, 0.0031783100000000 ] - [ -0.0003499400000000, -0.0002431800000000, 0.0001959500000000 ] - [ -0.0001904200000000, -0.0008059400000000, -0.0000713500000000 ] - [ -0.0002745100000000, -0.0001921000000000, -0.0001173500000000 ] - [ 0.0001730200000000, 0.0001474500000000, -0.0001811100000000 ] - [ 0.0001920600000000, -0.0007773100000000, 0.0000195000000000 ] - [ 0.0016618400000000, 0.0002675500000000, 0.0000293800000000 ] - [ 0.0007682700000000, -0.0002999200000000, -0.0002032500000000 ] - [ -0.0000814400000000, 0.0004250800000000, 0.0014019600000000 ] - [ 0.0000122400000000, -0.0001127000000000, 0.0002919900000000 ] - [ -0.0012222600000000, -0.0010912900000000, 0.0004836500000000 ] - [ -0.0011644600000000, 0.0003678500000000, -0.0002875600000000 ] - [ -0.0002661800000000, -0.0004966400000000, -0.0001872800000000 ] - [ -0.2594431500000000, 0.1276973500000000, -0.0324683300000000 ] - [ 0.0015091800000000, -0.0024586700000000, 0.0000415700000000 ] - [ 0.0005540800000000, 0.0011542700000000, -0.0004134600000000 ] - [ 0.0000068800000000, -0.0000466900000000, -0.0001345400000000 ] - [ 0.0000031300000000, -0.0001501800000000, -0.0000145500000000 ] - [ -0.0012105000000000, -0.0004407100000000, 0.0007605200000000 ] - [ 0.0001392300000000, -0.0002822100000000, 0.0000671600000000 ] - [ -0.0000966300000000, -0.0003497300000000, 0.0003039400000000 ] - [ -0.0000184600000000, -0.0001366400000000, 0.0003638500000000 ] - [ 0.0005047000000000, -0.0001281900000000, -0.0000666200000000 ] - [ -0.0002717600000000, -0.0005131500000000, 0.0002417800000000 ] - [ 0.0000551900000000, -0.0007293000000000, -0.0000678300000000 ] - [ 0.0001016600000000, -0.0010831600000000, -0.0000938400000000 ] - [ 0.0010005900000000, 0.0013862400000000, 0.0006460500000000 ] - [ -0.0001379800000000, 0.0051356200000000, 0.0006408900000000 ] - [ 0.0002585600000000, 0.0007411800000000, -0.0000210800000000 ] - [ -0.0001427700000000, 0.0000621400000000, -0.0005449400000000 ] - [ -0.0001738000000000, 0.0001873400000000, 0.0002146700000000 ] - [ -0.0000380500000000, 0.0008799200000000, -0.0002208600000000 ] - [ -0.0007828000000000, -0.0046208900000000, -0.0035015100000000 ] - [ 0.0000981600000000, 0.0002322500000000, -0.0003368200000000 ] - [ 0.0000699400000000, 0.0002263400000000, -0.0000957500000000 ] - [ 0.0002350000000000, 0.0003930000000000, -0.0002032100000000 ] - [ -0.0002261600000000, 0.0001560700000000, 0.0002308300000000 ] - [ 0.0004482900000000, -0.0000938100000000, 0.0001387100000000 ] - [ 0.0001796100000000, -0.0000830400000000, -0.0001036600000000 ] - [ -0.0001573600000000, 0.0013780800000000, 0.0000481100000000 ] - [ -0.0005027000000000, 0.0008991800000000, 0.0003090600000000 ] - [ 0.0686095200000000, -0.0023130700000000, 0.0476789400000000 ] - [ 0.0012354900000000, -0.0024427900000000, -0.0019584900000000 ] - [ -0.0005487200000000, -0.0005992600000000, -0.0003297000000000 ] - [ 0.0024451500000000, -0.0008387100000000, 0.0009155600000000 ] - [ 0.0001366900000000, -0.0000002200000000, -0.0001851600000000 ] - [ 0.0000855300000000, 0.0000922600000000, 0.0000185600000000 ] - [ -0.0000788900000000, 0.0021847200000000, -0.0033017300000000 ] - [ 0.0005903900000000, -0.0007710200000000, -0.0038165000000000 ] - [ -0.0011403800000000, 0.0017778600000000, -0.0007127200000000 ] - [ 0.0002787800000000, 0.0002605800000000, 0.0003706500000000 ] - [ -0.0003204400000000, -0.0003807900000000, 0.0002171000000000 ] - [ 0.0016283400000000, 0.0003626000000000, -0.0004158300000000 ] - [ 0.0003322400000000, -0.0006069100000000, -0.0005169200000000 ] - [ 0.0002986000000000, 0.0001879800000000, 0.0004043600000000 ] - [ 0.0001229900000000, 0.0001599800000000, -0.0007369000000000 ] - [ 0.0002398500000000, -0.0002907300000000, -0.0004757200000000 ] - [ -0.0008525400000000, 0.0020124300000000, 0.0014678800000000 ] - [ -0.0001073800000000, 0.0000765900000000, 0.0000868800000000 ] - [ 0.0002267800000000, 0.0003973900000000, 0.0001887500000000 ] - [ 0.0003195900000000, 0.0004518500000000, -0.0004776400000000 ] - [ -0.0000084600000000, 0.0002069100000000, 0.0002549000000000 ] - [ -0.0006968800000000, -0.0004882700000000, -0.0004726700000000 ] - [ 0.0002517200000000, 0.0003381800000000, -0.0001021600000000 ] - [ 0.0002916600000000, -0.0001826400000000, -0.0001079100000000 ] - [ 0.0006598400000000, 0.0011685500000000, 0.0001700500000000 ] - [ -0.0000031400000000, 0.0001481600000000, 0.0000167100000000 ] - [ -0.0002748500000000, -0.0006370500000000, 0.0011273900000000 ] - [ -0.0007331800000000, -0.0009519500000000, -0.0002799700000000 ] - [ -0.0002063500000000, 0.0003911500000000, 0.0000661100000000 ] - [ -0.0001078000000000, 0.0006432800000000, -0.0001126100000000 ] - [ -0.0000542300000000, 0.0008721400000000, -0.0000154600000000 ] - [ -0.0000968200000000, -0.0001402400000000, -0.0000346000000000 ] - [ -0.0003036400000000, -0.0005176000000000, -0.0001503100000000 ] - [ -0.0000335600000000, 0.0004722200000000, -0.0004206300000000 ] - [ -0.0000340800000000, 0.0001110400000000, -0.0000460900000000 ] - [ 0.0019897900000000, 0.0002161500000000, -0.0005591600000000 ] - [ 0.0003885400000000, 0.0006136100000000, -0.0000183600000000 ] - [ -0.0003028500000000, 0.0001534400000000, -0.0002221300000000 ] - [ 0.0000725000000000, 0.0005508500000000, -0.0000617100000000 ] - [ 0.0000540300000000, 0.0016665400000000, -0.0011276600000000 ] - [ 0.0003223800000000, -0.0002842900000000, 0.0000219900000000 ] - [ -0.0003088700000000, 0.0003798400000000, 0.0000339900000000 ] - [ -0.0004454800000000, 0.0004369000000000, 0.0002641900000000 ] - [ 0.0003863600000000, 0.0003079900000000, 0.0000144500000000 ] - [ -0.0018411700000000, -0.0010689200000000, 0.0008862800000000 ] - [ 0.0001005700000000, 0.0009972000000000, -0.0001700500000000 ] - [ -0.0004829600000000, -0.0003079300000000, 0.0002992400000000 ] - [ -0.0003249600000000, -0.0002589200000000, 0.0003032900000000 ] - [ -0.0004658000000000, -0.0006747000000000, -0.0003046000000000 ] - [ 0.0001052000000000, 0.0010960600000000, 0.0001893900000000 ] - [ 0.0990130400000000, -0.0808879400000000, 0.0308039500000000 ] - [ -0.0014773200000000, -0.0005050900000000, -0.0002599500000000 ] - [ 0.0031922400000000, 0.0006353100000000, 0.0004795200000000 ] - [ 0.0001058800000000, -0.0002118100000000, 0.0016088200000000 ] - [ -0.0005761100000000, 0.0001374300000000, 0.0000090000000000 ] - [ -0.0007365500000000, -0.0004110900000000, -0.0002036500000000 ] - [ 0.0001135700000000, 0.0003393500000000, 0.0002605600000000 ] - [ 0.0001094700000000, 0.0004859900000000, 0.0000043200000000 ] - [ 0.0001193200000000, 0.0001237400000000, -0.0000666800000000 ] - [ 0.0002432900000000, 0.0000134500000000, -0.0003813400000000 ] - [ 0.0003100400000000, 0.0008422600000000, 0.0001929200000000 ] - [ -0.0058549900000000, -0.0025314700000000, 0.0015836200000000 ] - [ -0.0013991900000000, -0.0006774300000000, 0.0004831000000000 ] - [ -0.0001234800000000, -0.0006690400000000, 0.0003513500000000 ] - [ -0.0025610300000000, -0.0009552800000000, -0.0001841400000000 ] - [ 0.0714368600000000, -0.0482447300000000, -0.0388633200000000 ] - [ -0.0007468800000000, -0.0010397300000000, -0.0002257900000000 ] - [ -0.0002941200000000, 0.0005403600000000, -0.0000741100000000 ] - [ 0.0000262200000000, 0.0010467000000000, 0.0001254900000000 ] - [ -0.0007372100000000, -0.0000341700000000, -0.0000412900000000 ] - [ 0.0001826800000000, 0.0000623100000000, -0.0004314400000000 ] - [ -0.0004349400000000, 0.0002746300000000, 0.0001007000000000 ] - [ 0.0000572000000000, -0.0004314400000000, 0.0003096600000000 ] - [ -0.0000949400000000, 0.0002543500000000, 0.0004613700000000 ] - [ 0.0000700400000000, 0.0004258000000000, -0.0001954900000000 ] - [ 0.0000029800000000, -0.0000543300000000, 0.0000741000000000 ] - [ 0.0004273400000000, -0.0024110200000000, -0.0002813500000000 ] - [ -0.0024056300000000, 0.0004173300000000, -0.0011795000000000 ] - [ -0.0020936500000000, 0.0032166200000000, 0.0021699200000000 ] - [ -0.0003332500000000, 0.0000184500000000, 0.0000523900000000 ] - [ -0.0002649100000000, 0.0002505400000000, -0.0003519500000000 ] - [ 0.0037442800000000, -0.0026696900000000, -0.0001745300000000 ] - [ 0.0003879500000000, 0.0004162700000000, -0.0002672400000000 ]- atom: 66 displacement: [ -0.0099999639143206, 0.0000000000000000, 0.0000268647033593 ] forces: - [ 0.0001696700000000, 0.0000001500000000, 0.0001950100000000 ] - [ -0.0000386700000000, 0.0006240200000000, 0.0000252200000000 ] - [ -0.0004349300000000, -0.0001262800000000, 0.0004275600000000 ] - [ -0.0074139600000000, 0.0050383400000000, -0.0024391300000000 ] - [ -0.0000455300000000, -0.0001753800000000, -0.0001965700000000 ] - [ 0.0002998700000000, 0.0013084300000000, -0.0002269300000000 ] - [ -0.0000896100000000, 0.0002962800000000, -0.0000783600000000 ] - [ 0.0002776800000000, -0.0001313600000000, -0.0006003500000000 ] - [ -0.0001382300000000, -0.0001003600000000, -0.0003665900000000 ] - [ -0.0000585900000000, 0.0001648800000000, -0.0000313200000000 ] - [ 0.0000082700000000, 0.0003771100000000, -0.0000240100000000 ] - [ 0.0006354400000000, 0.0010031400000000, 0.0002212300000000 ] - [ 0.0003236300000000, 0.0000313700000000, 0.0001222100000000 ] - [ -0.0005748700000000, -0.0000688300000000, 0.0001106200000000 ] - [ -0.0000283300000000, 0.0001982600000000, 0.0001148600000000 ] - [ -0.0002664000000000, 0.0002217000000000, -0.0000187900000000 ] - [ 0.0000176400000000, 0.0000416600000000, -0.0002958400000000 ] - [ -0.0003286100000000, -0.0005761800000000, -0.0001474800000000 ] - [ -0.0004560200000000, 0.0005046100000000, -0.0000364600000000 ] - [ 0.0003208700000000, 0.0000502000000000, -0.0000091900000000 ] - [ 0.0003312500000000, 0.0001989400000000, -0.0001120500000000 ] - [ -0.0003341100000000, 0.0006397600000000, -0.0001473100000000 ] - [ -0.0082130500000000, -0.0096260900000000, 0.0064305700000000 ] - [ -0.0030707800000000, -0.0027804700000000, 0.0038864900000000 ] - [ 0.0006237700000000, -0.0003387800000000, 0.0003483800000000 ] - [ -0.0005174700000000, 0.0002973400000000, 0.0008382700000000 ] - [ -0.0198062800000000, 0.0065123600000000, -0.0074968100000000 ] - [ 0.0001453900000000, 0.0001520300000000, -0.0006908700000000 ] - [ -0.0001709800000000, 0.0008364000000000, -0.0000385000000000 ] - [ -0.0015170400000000, -0.0008716700000000, -0.0008131400000000 ] - [ -0.0002249700000000, 0.0009213700000000, 0.0003724700000000 ] - [ 0.0002211500000000, 0.0010653700000000, -0.0000218000000000 ] - [ -0.0002488200000000, 0.0010165400000000, 0.0002514700000000 ] - [ -0.0001306600000000, 0.0008934400000000, -0.0004311900000000 ] - [ 0.0007782900000000, 0.0001315900000000, 0.0001332400000000 ] - [ -0.0004448300000000, 0.0011066500000000, -0.0011114100000000 ] - [ -0.0000790200000000, -0.0006167400000000, -0.0002482500000000 ] - [ 0.0001332500000000, 0.0001424100000000, -0.0003423300000000 ] - [ -0.0012281900000000, 0.0012509200000000, -0.0015722200000000 ] - [ 0.0003874300000000, 0.0006728500000000, 0.0000722100000000 ] - [ 0.0052061000000000, -0.0061015800000000, 0.0023287100000000 ] - [ -0.0012435500000000, -0.0002684900000000, 0.0005976600000000 ] - [ -0.0001102200000000, 0.0000601100000000, 0.0014651800000000 ] - [ 0.0001558100000000, 0.0012195500000000, 0.0000495600000000 ] - [ 0.0008790800000000, -0.0015782300000000, -0.0003045400000000 ] - [ 0.0101869100000000, -0.0005532400000000, 0.0122685800000000 ] - [ 0.0007985900000000, -0.0000949600000000, -0.0087476200000000 ] - [ -0.0001809400000000, -0.0009756100000000, 0.0007664400000000 ] - [ -0.0006694700000000, -0.0002585100000000, -0.0000339100000000 ] - [ -0.0000745000000000, 0.0004974500000000, 0.0000938900000000 ] - [ -0.0040966900000000, -0.0026628600000000, -0.0000208400000000 ] - [ 0.0001719500000000, -0.0002280100000000, -0.0004596600000000 ] - [ 0.0029080300000000, 0.0005497400000000, -0.0034371000000000 ] - [ -0.0000700900000000, 0.0009030500000000, 0.0000421600000000 ] - [ 0.0005079400000000, 0.0003331000000000, 0.0001248800000000 ] - [ 0.0005695300000000, -0.0005847900000000, -0.0003355600000000 ] - [ -0.0001401800000000, 0.0004637600000000, -0.0000353900000000 ] - [ 0.0002276500000000, 0.0001154100000000, -0.0002585000000000 ] - [ -0.0017430700000000, 0.0001179900000000, -0.0001997600000000 ] - [ -0.0007928000000000, -0.0002971100000000, 0.0004241700000000 ] - [ -0.0002135800000000, -0.0002892800000000, -0.0019285600000000 ] - [ 0.0002805500000000, 0.0002452800000000, 0.0002520300000000 ] - [ 0.0011897700000000, 0.0016937300000000, -0.0002638600000000 ] - [ 0.0007414000000000, -0.0010337100000000, 0.0005277700000000 ] - [ -0.0000192500000000, 0.0003684700000000, -0.0003567000000000 ] - [ 0.2574348700000000, -0.1240566600000000, 0.0318139700000000 ] - [ -0.0017651700000000, 0.0027271900000000, 0.0001021300000000 ] - [ -0.0002531700000000, -0.0003701200000000, -0.0000466000000000 ] - [ -0.0003078000000000, 0.0008273800000000, 0.0005903500000000 ] - [ 0.0002502600000000, 0.0004096500000000, -0.0001269300000000 ] - [ 0.0007578500000000, 0.0003688700000000, -0.0000683400000000 ] - [ 0.0001770100000000, 0.0007581000000000, -0.0000131500000000 ] - [ -0.0002033100000000, -0.0004308600000000, 0.0001523400000000 ] - [ -0.0004320600000000, 0.0002051700000000, 0.0003289100000000 ] - [ -0.0000531500000000, 0.0000581800000000, -0.0006274800000000 ] - [ 0.0000182800000000, 0.0002536100000000, -0.0001009700000000 ] - [ -0.0001255500000000, 0.0003328300000000, -0.0001008600000000 ] - [ -0.0000699600000000, 0.0004712000000000, -0.0001224100000000 ] - [ -0.0009170900000000, -0.0017927200000000, -0.0004806800000000 ] - [ -0.0001803600000000, -0.0046353800000000, -0.0006877700000000 ] - [ 0.0002151200000000, 0.0000623400000000, 0.0000860400000000 ] - [ 0.0000123200000000, -0.0000811600000000, 0.0013777600000000 ] - [ -0.0003782100000000, -0.0003575200000000, 0.0002594300000000 ] - [ -0.0002345200000000, -0.0001013700000000, -0.0000222200000000 ] - [ 0.0008546600000000, 0.0044903300000000, 0.0041482200000000 ] - [ 0.0003863400000000, -0.0001608200000000, 0.0005512200000000 ] - [ 0.0004187400000000, -0.0003329000000000, -0.0001568400000000 ] - [ -0.0007918400000000, -0.0003046700000000, -0.0000058700000000 ] - [ -0.0001652800000000, -0.0002249600000000, 0.0001823300000000 ] - [ 0.0000239100000000, -0.0007093200000000, -0.0000728800000000 ] - [ 0.0000477400000000, 0.0002220500000000, 0.0003808000000000 ] - [ -0.0001199400000000, -0.0002924600000000, 0.0003003000000000 ] - [ 0.0000183900000000, -0.0003957600000000, 0.0005268500000000 ] - [ -0.0676506100000000, 0.0022988800000000, -0.0479805800000000 ] - [ -0.0013914900000000, 0.0012582200000000, 0.0023049400000000 ] - [ 0.0007714700000000, -0.0005194500000000, -0.0000381700000000 ] - [ -0.0021622700000000, 0.0016117300000000, -0.0006712100000000 ] - [ 0.0000151700000000, -0.0011766500000000, -0.0001541300000000 ] - [ -0.0004778600000000, -0.0000195000000000, 0.0003949000000000 ] - [ -0.0002985900000000, -0.0013294200000000, 0.0032644200000000 ] - [ -0.0004546000000000, 0.0007786400000000, 0.0029402900000000 ] - [ 0.0005736800000000, -0.0017497400000000, 0.0001411000000000 ] - [ 0.0002913900000000, -0.0002329300000000, 0.0002003600000000 ] - [ 0.0001009200000000, -0.0007481600000000, 0.0001500700000000 ] - [ -0.0013426000000000, -0.0014367300000000, 0.0000682600000000 ] - [ -0.0005660000000000, 0.0006946600000000, 0.0007018900000000 ] - [ -0.0007826600000000, -0.0001157900000000, -0.0006155400000000 ] - [ 0.0003578300000000, 0.0003499100000000, -0.0000981500000000 ] - [ -0.0000042400000000, 0.0002015700000000, 0.0002826500000000 ] - [ 0.0005197800000000, -0.0014722500000000, -0.0008823300000000 ] - [ -0.0002265600000000, -0.0006216000000000, 0.0005007200000000 ] - [ 0.0003405300000000, -0.0004873300000000, 0.0000185200000000 ] - [ 0.0000136900000000, 0.0000899300000000, -0.0001074500000000 ] - [ 0.0000772800000000, -0.0000852700000000, 0.0004093100000000 ] - [ 0.0002155700000000, -0.0000226400000000, 0.0012973900000000 ] - [ -0.0000151900000000, -0.0002490800000000, -0.0000917600000000 ] - [ 0.0002736000000000, 0.0002732700000000, 0.0003143900000000 ] - [ -0.0003337800000000, -0.0010261000000000, 0.0001621600000000 ] - [ -0.0002677200000000, -0.0009270200000000, -0.0002603000000000 ] - [ 0.0005939200000000, 0.0004895400000000, -0.0008082700000000 ] - [ 0.0002622800000000, 0.0017474600000000, 0.0002109600000000 ] - [ -0.0000701600000000, -0.0006303600000000, 0.0002656200000000 ] - [ -0.0002178600000000, -0.0007834900000000, -0.0002199900000000 ] - [ 0.0002749100000000, -0.0005402700000000, 0.0001324900000000 ] - [ -0.0002890500000000, -0.0007256300000000, -0.0000249400000000 ] - [ 0.0000728200000000, 0.0003799300000000, -0.0001272400000000 ] - [ -0.0000357900000000, -0.0005934800000000, -0.0002427000000000 ] - [ -0.0001942600000000, 0.0000245500000000, -0.0002360800000000 ] - [ -0.0010600800000000, -0.0000753000000000, 0.0006817500000000 ] - [ 0.0005766600000000, -0.0000268900000000, -0.0001138100000000 ] - [ -0.0001825200000000, -0.0002247500000000, 0.0000063500000000 ] - [ -0.0003136100000000, -0.0006404600000000, 0.0002552500000000 ] - [ -0.0002795300000000, -0.0019871700000000, 0.0010134200000000 ] - [ -0.0001694600000000, 0.0014643900000000, -0.0003622800000000 ] - [ -0.0006294600000000, -0.0002376700000000, -0.0001559800000000 ] - [ 0.0007063300000000, 0.0006499100000000, -0.0006016300000000 ] - [ 0.0005564800000000, -0.0004512500000000, 0.0001087200000000 ] - [ 0.0022382300000000, 0.0010022700000000, -0.0012899600000000 ] - [ 0.0001181300000000, 0.0001314300000000, -0.0001975600000000 ] - [ -0.0004518800000000, 0.0001721700000000, -0.0004176000000000 ] - [ 0.0000479600000000, -0.0008275000000000, 0.0000450500000000 ] - [ -0.0001005900000000, 0.0005848300000000, 0.0000975500000000 ] - [ -0.0001738300000000, -0.0009778900000000, -0.0008560700000000 ] - [ -0.0984202600000000, 0.0770552000000000, -0.0289316400000000 ] - [ 0.0012464200000000, 0.0016342200000000, 0.0006432700000000 ] - [ -0.0027218500000000, -0.0005238200000000, -0.0007243900000000 ] - [ -0.0003397500000000, 0.0000783100000000, -0.0011733600000000 ] - [ -0.0003895400000000, -0.0007249000000000, 0.0001233200000000 ] - [ 0.0002626400000000, -0.0003938600000000, 0.0001401900000000 ] - [ 0.0001143700000000, -0.0004770600000000, 0.0000189900000000 ] - [ 0.0001218600000000, -0.0006185400000000, -0.0004280300000000 ] - [ 0.0001129500000000, 0.0000092400000000, -0.0003586500000000 ] - [ 0.0002392300000000, -0.0005234100000000, -0.0004534200000000 ] - [ 0.0000759700000000, 0.0000245700000000, -0.0001328800000000 ] - [ 0.0053689100000000, 0.0024426600000000, -0.0013373100000000 ] - [ 0.0011340300000000, 0.0009241000000000, -0.0001644000000000 ] - [ 0.0003926200000000, -0.0001132800000000, -0.0001048500000000 ] - [ 0.0030704600000000, 0.0008808200000000, 0.0003932900000000 ] - [ -0.0702146200000000, 0.0477575900000000, 0.0382447600000000 ] - [ 0.0010182000000000, 0.0008023600000000, -0.0001035200000000 ] - [ 0.0004221600000000, -0.0005631000000000, -0.0007602400000000 ] - [ -0.0001766300000000, 0.0001312800000000, 0.0002134800000000 ] - [ 0.0005149800000000, 0.0003606800000000, -0.0000790400000000 ] - [ 0.0002098400000000, 0.0000036500000000, 0.0000144300000000 ] - [ -0.0000525700000000, -0.0001695300000000, 0.0001514900000000 ] - [ -0.0002870600000000, 0.0005609400000000, 0.0001164900000000 ] - [ -0.0000367500000000, -0.0002351200000000, 0.0003691800000000 ] - [ 0.0002060600000000, -0.0001875300000000, -0.0001363900000000 ] - [ 0.0002155100000000, -0.0002782500000000, 0.0000433400000000 ] - [ 0.0005182100000000, 0.0018136100000000, 0.0001413600000000 ] - [ 0.0014465400000000, 0.0001728800000000, 0.0013100900000000 ] - [ 0.0026703800000000, -0.0033781700000000, -0.0026611100000000 ] - [ 0.0000082500000000, 0.0001209300000000, -0.0003841800000000 ] - [ -0.0003069000000000, -0.0002784000000000, -0.0002217700000000 ] - [ -0.0033465400000000, 0.0018057100000000, 0.0002424300000000 ] - [ 0.0001657700000000, -0.0002427400000000, -0.0002053000000000 ]- atom: 66 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003164000000000, 0.0004743800000000, 0.0007830800000000 ] - [ -0.0000353900000000, 0.0010971100000000, -0.0000428700000000 ] - [ -0.0004029100000000, -0.0003265500000000, 0.0005658000000000 ] - [ -0.0072102200000000, 0.0008940300000000, -0.0040185000000000 ] - [ -0.0000159600000000, 0.0000764900000000, -0.0001098800000000 ] - [ 0.0000886100000000, 0.0018565900000000, -0.0006386500000000 ] - [ -0.0000975000000000, 0.0006066700000000, 0.0000098000000000 ] - [ 0.0005703200000000, -0.0007543400000000, -0.0004252500000000 ] - [ 0.0002567400000000, -0.0004367700000000, 0.0001338800000000 ] - [ -0.0000665900000000, 0.0003989800000000, 0.0000143600000000 ] - [ -0.0000824200000000, 0.0001817600000000, 0.0003824800000000 ] - [ 0.0007905500000000, 0.0068621800000000, 0.0010404500000000 ] - [ 0.0003747500000000, 0.0003317500000000, -0.0000344900000000 ] - [ -0.0005019500000000, -0.0001848200000000, -0.0001041500000000 ] - [ -0.0000149900000000, 0.0007508100000000, 0.0000871800000000 ] - [ -0.0002906100000000, 0.0003755700000000, 0.0000434200000000 ] - [ 0.0000240300000000, 0.0001751400000000, -0.0003131900000000 ] - [ -0.0003749000000000, -0.0004921600000000, 0.0003314500000000 ] - [ -0.0005103600000000, 0.0009931700000000, -0.0000784800000000 ] - [ -0.0000682300000000, -0.0004088400000000, 0.0004097100000000 ] - [ 0.0003724700000000, 0.0005073400000000, -0.0000085500000000 ] - [ -0.0003082100000000, 0.0010497500000000, -0.0002570500000000 ] - [ 0.0088351200000000, -0.0016835500000000, -0.0051832100000000 ] - [ 0.0023733200000000, -0.0033006300000000, -0.0006269100000000 ] - [ 0.0017830100000000, 0.0011133000000000, 0.0010865800000000 ] - [ -0.0019430900000000, 0.0022842400000000, 0.0017192600000000 ] - [ -0.0221025500000000, 0.0024306200000000, -0.0113931200000000 ] - [ 0.0000944100000000, 0.0007962800000000, -0.0019333300000000 ] - [ -0.0001939500000000, 0.0017849900000000, 0.0000354100000000 ] - [ -0.0022611800000000, -0.0037167600000000, -0.0007765900000000 ] - [ -0.0002134500000000, 0.0020596100000000, 0.0003180900000000 ] - [ 0.0001935000000000, 0.0021889900000000, -0.0000287100000000 ] - [ -0.0002647600000000, 0.0015964200000000, 0.0004963100000000 ] - [ -0.0000580400000000, 0.0021218300000000, -0.0003326500000000 ] - [ 0.0004578200000000, 0.0000484100000000, -0.0008080100000000 ] - [ -0.0001672700000000, 0.0007460000000000, -0.0016647100000000 ] - [ -0.0001052000000000, -0.0014034800000000, 0.0007543300000000 ] - [ 0.0000208900000000, 0.0012284200000000, 0.0000239800000000 ] - [ -0.0011414300000000, 0.0020751600000000, -0.0024601000000000 ] - [ 0.0006046000000000, 0.0022135900000000, -0.0000007600000000 ] - [ 0.0085266100000000, -0.0115898300000000, 0.0199425100000000 ] - [ -0.0004076600000000, -0.0017814700000000, 0.0007456100000000 ] - [ -0.0007393400000000, 0.0008728000000000, 0.0023320100000000 ] - [ 0.0001563800000000, 0.0022988500000000, -0.0007898400000000 ] - [ 0.0001970100000000, -0.0040790100000000, 0.0000357400000000 ] - [ 0.0039869500000000, 0.0176223800000000, 0.0270024600000000 ] - [ 0.0006963900000000, -0.0018622600000000, -0.0022522300000000 ] - [ 0.0003228200000000, -0.0002484000000000, 0.0020024200000000 ] - [ -0.0005085000000000, -0.0004295800000000, -0.0000094500000000 ] - [ -0.0001265400000000, 0.0012237100000000, 0.0001207100000000 ] - [ -0.0047468400000000, -0.0033189800000000, -0.0000722800000000 ] - [ 0.0003733500000000, -0.0003250000000000, -0.0002640200000000 ] - [ 0.0031986400000000, -0.0011515000000000, -0.0051774100000000 ] - [ -0.0000910500000000, 0.0020516600000000, -0.0001552100000000 ] - [ 0.0008481100000000, 0.0019518300000000, 0.0002306400000000 ] - [ 0.0007130800000000, 0.0000939800000000, -0.0001623900000000 ] - [ -0.0000957000000000, 0.0008771600000000, 0.0000324500000000 ] - [ 0.0002024800000000, 0.0006777900000000, -0.0004051200000000 ] - [ -0.0019766900000000, 0.0005328400000000, 0.0000903900000000 ] - [ -0.0040358700000000, -0.0006081300000000, 0.0020622300000000 ] - [ -0.0000392300000000, 0.0000224600000000, 0.0001435900000000 ] - [ 0.0006163400000000, 0.0006056200000000, -0.0000388400000000 ] - [ 0.0005632400000000, 0.0007328700000000, -0.0007456800000000 ] - [ -0.0020999500000000, -0.0008708500000000, 0.0009946600000000 ] - [ -0.0002460100000000, 0.0007374800000000, -0.0018400300000000 ] - [ 0.1237217200000000, -0.4372778200000000, -0.0929389100000000 ] - [ -0.0027172000000000, 0.0041418900000000, -0.0002298500000000 ] - [ -0.0008543600000000, -0.0026132200000000, 0.0020624300000000 ] - [ -0.0006941400000000, 0.0013523500000000, 0.0007435500000000 ] - [ 0.0004101200000000, 0.0005221600000000, 0.0005185800000000 ] - [ 0.0037883500000000, 0.0022212300000000, -0.0005894400000000 ] - [ 0.0001079100000000, 0.0015056800000000, -0.0000823900000000 ] - [ -0.0004179700000000, -0.0006061500000000, 0.0003333600000000 ] - [ -0.0006913500000000, 0.0005234600000000, 0.0006117000000000 ] - [ -0.0000745800000000, 0.0002800400000000, 0.0001021800000000 ] - [ 0.0002537400000000, 0.0007392300000000, -0.0000660400000000 ] - [ -0.0001589900000000, 0.0009450100000000, -0.0001091900000000 ] - [ -0.0000338800000000, 0.0012855400000000, -0.0001366700000000 ] - [ 0.0002855100000000, -0.0020118300000000, -0.0000086800000000 ] - [ 0.0027065700000000, -0.0056822600000000, 0.0001579300000000 ] - [ 0.0002597600000000, -0.0004892800000000, 0.0001398800000000 ] - [ -0.0000643600000000, -0.0001210700000000, 0.0014393200000000 ] - [ -0.0005332100000000, -0.0006524100000000, 0.0000153300000000 ] - [ -0.0001744700000000, -0.0007832300000000, 0.0001264900000000 ] - [ -0.0012599600000000, 0.0086100400000000, 0.0046973300000000 ] - [ 0.0002400900000000, -0.0001018200000000, 0.0001258200000000 ] - [ 0.0007180100000000, -0.0007574800000000, -0.0003721400000000 ] - [ -0.0009488400000000, -0.0013422200000000, 0.0004132100000000 ] - [ -0.0000823100000000, -0.0005614500000000, -0.0001620500000000 ] - [ -0.0001322700000000, -0.0015372800000000, -0.0002837200000000 ] - [ 0.0001945500000000, 0.0004884400000000, 0.0005128600000000 ] - [ -0.0001020300000000, -0.0009808700000000, 0.0004007800000000 ] - [ 0.0001826900000000, -0.0003647100000000, 0.0013511100000000 ] - [ -0.0001122500000000, 0.0551212400000000, 0.0048822300000000 ] - [ -0.0014753100000000, 0.0048746500000000, 0.0028495700000000 ] - [ 0.0008221600000000, -0.0007013300000000, 0.0000973800000000 ] - [ -0.0048135700000000, 0.0009309300000000, -0.0022192100000000 ] - [ 0.0000147500000000, -0.0022670700000000, -0.0000319300000000 ] - [ -0.0011823800000000, -0.0010377300000000, 0.0018463100000000 ] - [ -0.0011193900000000, -0.0012369900000000, 0.0042579600000000 ] - [ 0.0000696100000000, 0.0003971600000000, -0.0018129100000000 ] - [ 0.0008515200000000, -0.0028163000000000, 0.0008047600000000 ] - [ 0.0003634000000000, -0.0006938000000000, -0.0005605100000000 ] - [ 0.0001808200000000, -0.0013056200000000, 0.0000137000000000 ] - [ -0.0001813100000000, 0.0001944500000000, 0.0007705500000000 ] - [ 0.0000714500000000, 0.0009791200000000, -0.0003510100000000 ] - [ -0.0018264400000000, -0.0007275200000000, -0.0013854400000000 ] - [ 0.0002401100000000, 0.0002047700000000, -0.0004569900000000 ] - [ -0.0001576700000000, 0.0003464400000000, 0.0000272500000000 ] - [ 0.0009793000000000, -0.0024855200000000, -0.0013349300000000 ] - [ -0.0002878800000000, -0.0010098700000000, 0.0005757800000000 ] - [ 0.0006008700000000, -0.0011569100000000, 0.0001724400000000 ] - [ 0.0000772000000000, 0.0002605800000000, -0.0003636700000000 ] - [ -0.0000106600000000, -0.0000573000000000, 0.0004621200000000 ] - [ -0.0002055300000000, 0.0004391300000000, 0.0000717700000000 ] - [ -0.0003672500000000, -0.0007685700000000, 0.0000824900000000 ] - [ 0.0003248900000000, 0.0006252900000000, 0.0000807600000000 ] - [ -0.0000868400000000, -0.0003867600000000, 0.0004217900000000 ] - [ -0.0001860300000000, -0.0020278700000000, -0.0003713700000000 ] - [ 0.0033260300000000, 0.0030224900000000, -0.0035195300000000 ] - [ -0.0013145500000000, 0.0021321900000000, 0.0001413700000000 ] - [ 0.0000323000000000, -0.0010165100000000, 0.0004254500000000 ] - [ -0.0003001100000000, -0.0015734300000000, -0.0003106900000000 ] - [ 0.0002694000000000, -0.0012183500000000, 0.0002323600000000 ] - [ -0.0004338200000000, -0.0011302600000000, -0.0000433500000000 ] - [ -0.0002978100000000, 0.0013255600000000, -0.0015994300000000 ] - [ 0.0000150900000000, -0.0013022700000000, -0.0001628200000000 ] - [ -0.0003726500000000, -0.0005145900000000, -0.0002569000000000 ] - [ -0.0005855400000000, 0.0004960600000000, 0.0016401500000000 ] - [ 0.0005538600000000, -0.0007341700000000, -0.0002229000000000 ] - [ -0.0001414000000000, -0.0005181000000000, -0.0000499200000000 ] - [ -0.0004484400000000, -0.0012814500000000, 0.0010297300000000 ] - [ -0.0004796600000000, 0.0001930900000000, 0.0013575700000000 ] - [ 0.0006829000000000, 0.0010562500000000, -0.0009031700000000 ] - [ -0.0006267000000000, -0.0011629500000000, -0.0003443900000000 ] - [ 0.0028328400000000, -0.0008572900000000, -0.0034038000000000 ] - [ 0.0007643300000000, -0.0009863100000000, 0.0002056600000000 ] - [ 0.0021566800000000, 0.0019417700000000, -0.0011993100000000 ] - [ 0.0000862100000000, -0.0004017800000000, -0.0002227900000000 ] - [ 0.0007590600000000, 0.0010586800000000, -0.0004294200000000 ] - [ 0.0001748800000000, -0.0013828100000000, -0.0000144400000000 ] - [ 0.0004261900000000, 0.0017320500000000, -0.0005476400000000 ] - [ 0.0000293600000000, -0.0033497700000000, -0.0023193800000000 ] - [ -0.0724658700000000, 0.1737286100000000, -0.0411192800000000 ] - [ -0.0004920900000000, 0.0020126300000000, 0.0003798200000000 ] - [ -0.0048343500000000, -0.0043960800000000, -0.0002692600000000 ] - [ -0.0003459200000000, 0.0008698600000000, -0.0057762600000000 ] - [ -0.0004498800000000, -0.0010541100000000, 0.0001185200000000 ] - [ 0.0000837100000000, 0.0000194800000000, 0.0001244900000000 ] - [ 0.0002723900000000, -0.0010090900000000, 0.0001524700000000 ] - [ 0.0002427300000000, -0.0012442300000000, -0.0004967800000000 ] - [ 0.0002408600000000, -0.0000782100000000, -0.0007929700000000 ] - [ 0.0001450300000000, -0.0009413000000000, -0.0003623700000000 ] - [ 0.0000423800000000, -0.0008415400000000, -0.0004552100000000 ] - [ 0.0066351800000000, 0.0046836900000000, -0.0018966500000000 ] - [ 0.0008786800000000, 0.0013715100000000, 0.0007851300000000 ] - [ 0.0001095100000000, 0.0003125800000000, 0.0000640900000000 ] - [ 0.0031665100000000, 0.0023389300000000, 0.0011606000000000 ] - [ -0.0508381800000000, 0.1926722600000000, 0.1140741700000000 ] - [ 0.0001526700000000, 0.0008250200000000, -0.0005276300000000 ] - [ 0.0011209100000000, -0.0016232200000000, -0.0000086600000000 ] - [ -0.0001685500000000, -0.0003116900000000, 0.0005337200000000 ] - [ 0.0023725800000000, 0.0006119200000000, -0.0002659600000000 ] - [ 0.0001158100000000, -0.0002601600000000, -0.0008390200000000 ] - [ 0.0000817800000000, -0.0005293200000000, -0.0001859000000000 ] - [ -0.0007540300000000, -0.0002874700000000, 0.0009371800000000 ] - [ -0.0001006000000000, -0.0006184700000000, 0.0006153700000000 ] - [ 0.0002596500000000, -0.0008997900000000, -0.0001345700000000 ] - [ 0.0000710600000000, -0.0008352700000000, -0.0000798100000000 ] - [ -0.0005867600000000, 0.0023485100000000, -0.0004191800000000 ] - [ 0.0026720600000000, 0.0005012100000000, 0.0029081100000000 ] - [ 0.0044188700000000, -0.0059189500000000, -0.0020909100000000 ] - [ 0.0000886000000000, -0.0001486600000000, -0.0006433300000000 ] - [ -0.0003988400000000, -0.0006451400000000, -0.0004000600000000 ] - [ 0.0006412700000000, 0.0014296700000000, -0.0023545000000000 ] - [ -0.0000116400000000, -0.0006860300000000, -0.0003387100000000 ]- atom: 66 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001278600000000, -0.0006943600000000, -0.0005942700000000 ] - [ -0.0000962900000000, -0.0006530400000000, -0.0000108200000000 ] - [ 0.0010237400000000, 0.0003208800000000, -0.0007091600000000 ] - [ 0.0072518600000000, -0.0015856500000000, 0.0042740200000000 ] - [ -0.0000763700000000, -0.0007436400000000, -0.0001676400000000 ] - [ -0.0002761000000000, -0.0020825300000000, 0.0004539300000000 ] - [ -0.0000925100000000, -0.0003888900000000, -0.0001975900000000 ] - [ 0.0003024800000000, 0.0010941900000000, 0.0006481500000000 ] - [ -0.0001942200000000, 0.0003242100000000, -0.0002477000000000 ] - [ 0.0000062900000000, -0.0002886500000000, 0.0001029000000000 ] - [ 0.0001748700000000, 0.0004830400000000, -0.0001033400000000 ] - [ -0.0006586300000000, -0.0072618200000000, -0.0009658300000000 ] - [ 0.0004961300000000, -0.0006704700000000, 0.0002540600000000 ] - [ 0.0005625500000000, 0.0002914200000000, -0.0000133700000000 ] - [ -0.0000455700000000, -0.0008616300000000, 0.0000291300000000 ] - [ -0.0003290700000000, -0.0003863000000000, 0.0000987300000000 ] - [ -0.0001557700000000, -0.0006197100000000, 0.0002615400000000 ] - [ -0.0004967000000000, 0.0001589600000000, -0.0005506000000000 ] - [ -0.0003609700000000, -0.0006538000000000, -0.0001420100000000 ] - [ 0.0001970600000000, 0.0008512500000000, -0.0003544200000000 ] - [ 0.0002474800000000, -0.0004979000000000, -0.0001326700000000 ] - [ 0.0002152000000000, -0.0003820900000000, -0.0000197200000000 ] - [ -0.0095378400000000, 0.0017147000000000, 0.0053532800000000 ] - [ -0.0021901100000000, 0.0035031100000000, 0.0008078400000000 ] - [ -0.0012662300000000, -0.0014372600000000, -0.0001756000000000 ] - [ 0.0020274400000000, -0.0027723200000000, -0.0014271700000000 ] - [ 0.0218237200000000, -0.0035081100000000, 0.0120792300000000 ] - [ -0.0006102900000000, -0.0011204500000000, 0.0010362700000000 ] - [ 0.0001093200000000, -0.0013073000000000, -0.0003183900000000 ] - [ 0.0024467200000000, 0.0040334600000000, -0.0000766600000000 ] - [ 0.0000310400000000, -0.0017405500000000, 0.0005408800000000 ] - [ -0.0000795800000000, -0.0018175600000000, 0.0001067700000000 ] - [ -0.0001254500000000, -0.0005737400000000, 0.0001717900000000 ] - [ -0.0004521800000000, -0.0017978300000000, -0.0005735800000000 ] - [ -0.0005742000000000, -0.0004288600000000, 0.0007248800000000 ] - [ 0.0003497700000000, -0.0010724200000000, 0.0008012500000000 ] - [ 0.0004809400000000, 0.0015962200000000, -0.0008499600000000 ] - [ 0.0003670400000000, -0.0022559700000000, -0.0006884000000000 ] - [ 0.0010618600000000, -0.0025478400000000, 0.0021800900000000 ] - [ -0.0002265100000000, -0.0023949300000000, -0.0000983900000000 ] - [ -0.0086715800000000, 0.0119526500000000, -0.0200184900000000 ] - [ 0.0009275000000000, 0.0020990700000000, 0.0001592500000000 ] - [ 0.0008566900000000, -0.0012366600000000, -0.0022634400000000 ] - [ -0.0005320600000000, -0.0021124000000000, 0.0008830500000000 ] - [ -0.0005806300000000, 0.0039039100000000, 0.0000713100000000 ] - [ -0.0035850400000000, -0.0167191500000000, -0.0280134800000000 ] - [ -0.0006046700000000, 0.0023176300000000, 0.0026094700000000 ] - [ -0.0005051900000000, -0.0000574500000000, -0.0011545800000000 ] - [ 0.0001777400000000, -0.0000547300000000, -0.0000387000000000 ] - [ 0.0001908300000000, -0.0008440000000000, 0.0000428300000000 ] - [ 0.0051856600000000, 0.0033982100000000, -0.0006306500000000 ] - [ -0.0000820600000000, 0.0001836600000000, 0.0008116200000000 ] - [ -0.0027844100000000, 0.0018226000000000, 0.0049532800000000 ] - [ -0.0003251100000000, -0.0013754000000000, 0.0003861100000000 ] - [ -0.0005200500000000, -0.0024341900000000, -0.0001829100000000 ] - [ -0.0004153800000000, -0.0008657200000000, -0.0002975200000000 ] - [ 0.0001242200000000, -0.0002689200000000, -0.0002474800000000 ] - [ 0.0002121000000000, -0.0013521500000000, 0.0001758600000000 ] - [ 0.0019054800000000, -0.0001455500000000, -0.0002514800000000 ] - [ 0.0040188800000000, 0.0000039500000000, -0.0018556200000000 ] - [ -0.0002543500000000, 0.0001228000000000, -0.0006696700000000 ] - [ -0.0003237800000000, -0.0004624200000000, 0.0005828500000000 ] - [ -0.0005852800000000, -0.0001398800000000, 0.0009538000000000 ] - [ 0.0016664100000000, 0.0002086900000000, -0.0007619400000000 ] - [ -0.0000519100000000, -0.0008799500000000, 0.0012888200000000 ] - [ -0.1277499000000000, 0.4399846500000000, 0.0797408300000000 ] - [ 0.0024726900000000, -0.0038927700000000, 0.0003812800000000 ] - [ 0.0011446200000000, 0.0033801000000000, -0.0025158300000000 ] - [ 0.0004023300000000, -0.0005826400000000, -0.0002856900000000 ] - [ -0.0001553500000000, -0.0002643300000000, -0.0006556400000000 ] - [ -0.0042560100000000, -0.0023137900000000, 0.0012959200000000 ] - [ 0.0002214400000000, -0.0010273600000000, 0.0001306400000000 ] - [ 0.0001283700000000, -0.0001613600000000, 0.0001255400000000 ] - [ 0.0002542600000000, -0.0004459900000000, 0.0000859900000000 ] - [ 0.0005134300000000, -0.0003593400000000, -0.0007986400000000 ] - [ -0.0005097300000000, -0.0010009400000000, 0.0002054200000000 ] - [ 0.0000945900000000, -0.0013272100000000, -0.0000540700000000 ] - [ 0.0000631100000000, -0.0018902600000000, -0.0000779200000000 ] - [ -0.0002095000000000, 0.0016563800000000, 0.0001796100000000 ] - [ -0.0030277900000000, 0.0061612400000000, -0.0002072300000000 ] - [ 0.0002613500000000, 0.0012767400000000, -0.0000803400000000 ] - [ -0.0000698000000000, 0.0001018700000000, -0.0005883400000000 ] - [ -0.0000327500000000, 0.0004587700000000, 0.0004462600000000 ] - [ -0.0001189000000000, 0.0015384600000000, -0.0003713100000000 ] - [ 0.0013291300000000, -0.0087012600000000, -0.0040459700000000 ] - [ 0.0002267500000000, 0.0001748900000000, 0.0000649900000000 ] - [ -0.0002589400000000, 0.0006720400000000, 0.0001269100000000 ] - [ 0.0003977400000000, 0.0014199500000000, -0.0006147900000000 ] - [ -0.0003005500000000, 0.0004835200000000, 0.0005427800000000 ] - [ 0.0006537600000000, 0.0007505100000000, 0.0003463300000000 ] - [ 0.0000531000000000, -0.0003540200000000, -0.0002247200000000 ] - [ -0.0001524600000000, 0.0020530800000000, -0.0000515000000000 ] - [ -0.0006617400000000, 0.0008706300000000, -0.0005076600000000 ] - [ 0.0011007600000000, -0.0551692200000000, -0.0030465400000000 ] - [ 0.0013283100000000, -0.0060661700000000, -0.0025214100000000 ] - [ -0.0005946200000000, -0.0004090000000000, -0.0004657000000000 ] - [ 0.0050956400000000, -0.0001715400000000, 0.0024485000000000 ] - [ 0.0001366900000000, 0.0010768000000000, -0.0003043900000000 ] - [ 0.0008072600000000, 0.0011197700000000, -0.0014752600000000 ] - [ 0.0007106800000000, 0.0021108200000000, -0.0043114500000000 ] - [ 0.0000671900000000, -0.0003883500000000, 0.0009193900000000 ] - [ -0.0014321500000000, 0.0028418800000000, -0.0014013100000000 ] - [ 0.0002135900000000, 0.0007255600000000, 0.0011477700000000 ] - [ -0.0004082000000000, 0.0002009200000000, 0.0003521700000000 ] - [ 0.0004395000000000, -0.0012403700000000, -0.0011171000000000 ] - [ -0.0003287100000000, -0.0008715900000000, 0.0005468600000000 ] - [ 0.0013734900000000, 0.0008009600000000, 0.0012038300000000 ] - [ 0.0002400200000000, 0.0002957700000000, -0.0003826700000000 ] - [ 0.0004221600000000, -0.0004627500000000, -0.0002328300000000 ] - [ -0.0013104000000000, 0.0030400600000000, 0.0019267700000000 ] - [ -0.0000406300000000, 0.0004592400000000, 0.0000137400000000 ] - [ -0.0000537300000000, 0.0010728500000000, 0.0000339600000000 ] - [ 0.0002513700000000, 0.0002925300000000, -0.0002267800000000 ] - [ 0.0000893200000000, 0.0001408400000000, 0.0002011500000000 ] - [ -0.0002786400000000, -0.0009411100000000, 0.0007580700000000 ] - [ 0.0006290400000000, 0.0008806900000000, -0.0002857800000000 ] - [ 0.0002204600000000, -0.0005449300000000, 0.0001222600000000 ] - [ 0.0004036200000000, 0.0004978300000000, -0.0000855200000000 ] - [ -0.0001092200000000, 0.0012755800000000, 0.0001280500000000 ] - [ -0.0030133600000000, -0.0031315800000000, 0.0038610200000000 ] - [ 0.0007855100000000, -0.0013443800000000, -0.0002017400000000 ] - [ -0.0003214200000000, 0.0007950000000000, -0.0000897000000000 ] - [ -0.0000177400000000, 0.0014702800000000, -0.0000234200000000 ] - [ -0.0000672100000000, 0.0015456900000000, -0.0001118700000000 ] - [ 0.0000304400000000, 0.0002554700000000, -0.0000074800000000 ] - [ 0.0000471100000000, -0.0014622000000000, 0.0013013200000000 ] - [ -0.0000942800000000, 0.0012251700000000, -0.0005009500000000 ] - [ 0.0001220300000000, 0.0006518400000000, -0.0000361500000000 ] - [ 0.0015376600000000, -0.0003444400000000, -0.0015197300000000 ] - [ 0.0003857300000000, 0.0013026400000000, 0.0000942300000000 ] - [ -0.0003265200000000, 0.0004466100000000, -0.0001427400000000 ] - [ 0.0001895100000000, 0.0011666000000000, -0.0008224100000000 ] - [ 0.0002736500000000, -0.0005032900000000, -0.0014657000000000 ] - [ -0.0005262000000000, 0.0001176100000000, 0.0005657100000000 ] - [ -0.0003245900000000, 0.0013114600000000, 0.0002138900000000 ] - [ -0.0025871600000000, 0.0019518600000000, 0.0030752400000000 ] - [ 0.0001860300000000, 0.0008344100000000, -0.0000783200000000 ] - [ -0.0017726600000000, -0.0020161800000000, 0.0008234100000000 ] - [ 0.0001396100000000, 0.0015089100000000, -0.0001437200000000 ] - [ -0.0017014100000000, -0.0012112100000000, 0.0003015000000000 ] - [ -0.0004279800000000, 0.0003092200000000, 0.0003659300000000 ] - [ -0.0009716000000000, -0.0018170900000000, 0.0003380300000000 ] - [ -0.0001098000000000, 0.0034398100000000, 0.0016661900000000 ] - [ 0.0791540600000000, -0.1830086500000000, 0.0454417700000000 ] - [ 0.0002360600000000, -0.0009153800000000, -0.0000306400000000 ] - [ 0.0053298700000000, 0.0045116600000000, 0.0000358800000000 ] - [ 0.0001124800000000, -0.0010139700000000, 0.0061999700000000 ] - [ -0.0004894100000000, 0.0004876600000000, 0.0000100300000000 ] - [ -0.0006037500000000, -0.0008019200000000, -0.0001843300000000 ] - [ -0.0000254100000000, 0.0008723100000000, 0.0001397400000000 ] - [ -0.0000104800000000, 0.0010963600000000, 0.0000633200000000 ] - [ -0.0000087800000000, 0.0002257700000000, 0.0003605600000000 ] - [ 0.0003368200000000, 0.0004383500000000, -0.0004771300000000 ] - [ 0.0003643400000000, 0.0017169000000000, 0.0005029000000000 ] - [ -0.0070958900000000, -0.0047681100000000, 0.0021380300000000 ] - [ -0.0011633800000000, -0.0011514200000000, -0.0004540600000000 ] - [ 0.0001834000000000, -0.0010616000000000, 0.0001792300000000 ] - [ -0.0026979100000000, -0.0024092500000000, -0.0009651100000000 ] - [ 0.0478068400000000, -0.1865263100000000, -0.1064485800000000 ] - [ 0.0001290100000000, -0.0010588400000000, 0.0001928800000000 ] - [ -0.0009793100000000, 0.0016023200000000, -0.0008475700000000 ] - [ 0.0000175600000000, 0.0015032500000000, -0.0001958700000000 ] - [ -0.0025775700000000, -0.0002816400000000, 0.0001430000000000 ] - [ 0.0002666900000000, 0.0003376400000000, 0.0004534500000000 ] - [ -0.0005407500000000, 0.0006156300000000, 0.0004299200000000 ] - [ 0.0005164900000000, 0.0004394000000000, -0.0004955800000000 ] - [ -0.0000333900000000, 0.0006366300000000, 0.0002385300000000 ] - [ 0.0000291500000000, 0.0011219900000000, -0.0002005800000000 ] - [ 0.0001309700000000, 0.0005047200000000, 0.0002015500000000 ] - [ 0.0015250400000000, -0.0029467200000000, 0.0002872800000000 ] - [ -0.0035998100000000, 0.0000604100000000, -0.0027663100000000 ] - [ -0.0038730900000000, 0.0057396300000000, 0.0016205500000000 ] - [ -0.0004053000000000, 0.0002456500000000, 0.0003116400000000 ] - [ -0.0001785700000000, 0.0006166300000000, -0.0001903700000000 ] - [ -0.0002038000000000, -0.0023344200000000, 0.0023888600000000 ] - [ 0.0005793500000000, 0.0008840700000000, -0.0001238500000000 ]- atom: 66 displacement: [ -0.0035230240541542, 0.0000000000000000, 0.0093588621911988 ] forces: - [ 0.0002484000000000, 0.0006149500000000, 0.0011381900000000 ] - [ -0.0001019400000000, 0.0004889800000000, -0.0002501800000000 ] - [ 0.0005375900000000, 0.0001251100000000, -0.0007129400000000 ] - [ 0.0002625900000000, -0.0020544800000000, -0.0057917400000000 ] - [ -0.0000108800000000, -0.0001134000000000, 0.0000998100000000 ] - [ -0.0002414900000000, -0.0000229300000000, -0.0006772100000000 ] - [ -0.0001063500000000, 0.0003282000000000, 0.0001118700000000 ] - [ 0.0009111100000000, -0.0003913300000000, 0.0011249600000000 ] - [ 0.0006296800000000, -0.0004764300000000, 0.0012523000000000 ] - [ -0.0000850100000000, 0.0001864500000000, 0.0003906200000000 ] - [ -0.0000441300000000, 0.0001379700000000, 0.0010927500000000 ] - [ 0.0005882500000000, 0.0039974800000000, -0.0011262700000000 ] - [ 0.0004194400000000, -0.0001043300000000, -0.0002174300000000 ] - [ -0.0000492800000000, 0.0000170400000000, -0.0008748500000000 ] - [ 0.0000207300000000, 0.0003127200000000, -0.0001893800000000 ] - [ -0.0003599700000000, -0.0001112900000000, 0.0003923400000000 ] - [ 0.0000212300000000, -0.0003166200000000, 0.0002966700000000 ] - [ -0.0006787700000000, 0.0003987400000000, 0.0011361500000000 ] - [ -0.0004970000000000, 0.0005999300000000, -0.0002860100000000 ] - [ -0.0006896400000000, -0.0001302800000000, 0.0013792000000000 ] - [ 0.0003479800000000, 0.0002602300000000, 0.0001729600000000 ] - [ 0.0000398300000000, 0.0004719600000000, -0.0004488400000000 ] - [ -0.0092477100000000, -0.0084560300000000, -0.0001499800000000 ] - [ -0.0052049600000000, -0.0021988700000000, -0.0006958200000000 ] - [ 0.0021169800000000, 0.0024384300000000, 0.0013162900000000 ] - [ -0.0018453700000000, 0.0026217700000000, 0.0011672500000000 ] - [ 0.0028783100000000, -0.0046450900000000, -0.0012176400000000 ] - [ -0.0006252100000000, -0.0010798900000000, -0.0010004300000000 ] - [ 0.0000216500000000, 0.0009403700000000, -0.0002295000000000 ] - [ -0.0012026100000000, -0.0014957500000000, 0.0009844800000000 ] - [ -0.0000899300000000, 0.0008628600000000, 0.0004331200000000 ] - [ 0.0000453200000000, 0.0008649900000000, 0.0000999000000000 ] - [ -0.0002439900000000, 0.0005194400000000, 0.0011313200000000 ] - [ -0.0001883200000000, 0.0011592900000000, -0.0003453400000000 ] - [ -0.0017453500000000, -0.0024441400000000, -0.0002265000000000 ] - [ 0.0013034600000000, -0.0023856900000000, -0.0009407100000000 ] - [ 0.0004211700000000, 0.0001461600000000, 0.0026720600000000 ] - [ -0.0000068400000000, 0.0003610500000000, 0.0005736200000000 ] - [ 0.0000154400000000, -0.0007802800000000, 0.0000153300000000 ] - [ 0.0005098100000000, 0.0011814700000000, -0.0006090900000000 ] - [ 0.0053403700000000, -0.0005557100000000, 0.0308228000000000 ] - [ 0.0023751200000000, -0.0017038500000000, 0.0008736900000000 ] - [ -0.0008485600000000, 0.0012931500000000, 0.0001295200000000 ] - [ -0.0001608200000000, 0.0000895400000000, -0.0016428000000000 ] - [ -0.0017485200000000, -0.0025075100000000, 0.0034303200000000 ] - [ -0.0073006900000000, 0.0286085600000000, 0.0017929000000000 ] - [ 0.0001610300000000, -0.0063060600000000, 0.0303176900000000 ] - [ 0.0010971500000000, 0.0026635200000000, 0.0012756400000000 ] - [ -0.0001643200000000, -0.0011221100000000, 0.0000297200000000 ] - [ -0.0000188100000000, 0.0010414900000000, 0.0001130000000000 ] - [ -0.0006024600000000, 0.0002898900000000, -0.0037496400000000 ] - [ 0.0003930500000000, 0.0000405000000000, 0.0016672600000000 ] - [ 0.0012152100000000, -0.0032124700000000, -0.0019061400000000 ] - [ -0.0002914900000000, 0.0017440100000000, 0.0000034000000000 ] - [ 0.0006234600000000, 0.0020159700000000, 0.0000263600000000 ] - [ 0.0007581300000000, -0.0010938600000000, -0.0018531600000000 ] - [ 0.0001859300000000, 0.0008815200000000, -0.0001033300000000 ] - [ 0.0001165700000000, -0.0003488300000000, -0.0000308700000000 ] - [ -0.0004529400000000, -0.0008557500000000, -0.0001785600000000 ] - [ -0.0036662600000000, 0.0007801200000000, 0.0017066000000000 ] - [ -0.0003883400000000, 0.0011063200000000, 0.0046316000000000 ] - [ 0.0003482800000000, 0.0003261200000000, -0.0003020600000000 ] - [ 0.0000872100000000, -0.0041095400000000, -0.0000324800000000 ] - [ -0.0058697900000000, 0.0019954300000000, 0.0015833400000000 ] - [ -0.0005975800000000, 0.0003411800000000, -0.0030161200000000 ] - [ 0.0635473900000000, -0.1297338900000000, -0.4128468700000000 ] - [ -0.0007362800000000, 0.0007645400000000, -0.0006633700000000 ] - [ -0.0001002000000000, -0.0023747900000000, 0.0036251900000000 ] - [ -0.0004844500000000, 0.0005942300000000, -0.0000884200000000 ] - [ 0.0002279300000000, -0.0003181300000000, 0.0015162500000000 ] - [ 0.0020242300000000, 0.0015355700000000, -0.0015474600000000 ] - [ 0.0000560000000000, 0.0005260900000000, 0.0000118700000000 ] - [ -0.0001853400000000, -0.0008072000000000, 0.0012403700000000 ] - [ -0.0003921000000000, 0.0003168800000000, 0.0009311800000000 ] - [ 0.0005102000000000, 0.0002786700000000, 0.0013584500000000 ] - [ 0.0000858300000000, 0.0001319400000000, 0.0004684300000000 ] - [ 0.0000084000000000, 0.0000316700000000, -0.0000992100000000 ] - [ 0.0000533600000000, 0.0000129500000000, -0.0001073600000000 ] - [ 0.0047836000000000, 0.0019274300000000, 0.0015803900000000 ] - [ 0.0041121700000000, 0.0004551000000000, 0.0001779500000000 ] - [ 0.0003017800000000, 0.0002905100000000, -0.0000160900000000 ] - [ -0.0000579700000000, -0.0000298200000000, -0.0008034300000000 ] - [ -0.0003793100000000, -0.0000458900000000, -0.0003778900000000 ] - [ -0.0001160300000000, 0.0003141800000000, -0.0000779700000000 ] - [ -0.0039241900000000, 0.0016427000000000, -0.0006259800000000 ] - [ -0.0001516400000000, 0.0003569800000000, -0.0011970600000000 ] - [ 0.0005851300000000, -0.0003991100000000, -0.0005381700000000 ] - [ -0.0009947700000000, -0.0006417200000000, 0.0011165800000000 ] - [ -0.0001146900000000, -0.0003118000000000, -0.0003853100000000 ] - [ -0.0000697900000000, -0.0014468500000000, 0.0000059500000000 ] - [ 0.0001648600000000, 0.0005634800000000, -0.0006862000000000 ] - [ -0.0001052200000000, 0.0004058100000000, 0.0002104800000000 ] - [ -0.0000347900000000, 0.0006768400000000, 0.0019726800000000 ] - [ 0.0256716700000000, -0.0003998300000000, 0.1654058400000000 ] - [ -0.0003057700000000, 0.0044896700000000, -0.0014038200000000 ] - [ 0.0001992700000000, 0.0002561300000000, -0.0001186100000000 ] - [ -0.0044193300000000, -0.0017680800000000, -0.0023977800000000 ] - [ 0.0000571200000000, -0.0016922700000000, 0.0000803800000000 ] - [ -0.0008875300000000, -0.0003034800000000, 0.0024244100000000 ] - [ -0.0010031500000000, 0.0012830300000000, 0.0011518600000000 ] - [ 0.0008003700000000, -0.0007474200000000, -0.0084778100000000 ] - [ -0.0001132800000000, 0.0002622000000000, 0.0010061600000000 ] - [ 0.0003365900000000, -0.0004193800000000, -0.0013114800000000 ] - [ -0.0000571000000000, -0.0012931100000000, 0.0000394600000000 ] - [ 0.0017760700000000, 0.0043358800000000, -0.0016909500000000 ] - [ 0.0013582100000000, -0.0003377500000000, -0.0024482800000000 ] - [ -0.0008876400000000, -0.0006778300000000, 0.0003740900000000 ] - [ -0.0001205800000000, -0.0001873700000000, -0.0014757000000000 ] - [ 0.0000530500000000, -0.0002144500000000, -0.0010863800000000 ] - [ -0.0001019700000000, 0.0003881300000000, 0.0008820600000000 ] - [ -0.0002243400000000, -0.0004014000000000, 0.0000580400000000 ] - [ 0.0005829800000000, -0.0004454800000000, 0.0005336400000000 ] - [ 0.0004345900000000, 0.0009806300000000, -0.0016128200000000 ] - [ 0.0001339100000000, 0.0009151400000000, 0.0001060700000000 ] - [ -0.0008860900000000, -0.0000065000000000, -0.0024510100000000 ] - [ -0.0002087000000000, -0.0003492800000000, 0.0002553200000000 ] - [ 0.0000947400000000, 0.0003393500000000, -0.0010190600000000 ] - [ 0.0005524600000000, 0.0031925300000000, 0.0006777700000000 ] - [ 0.0001122900000000, -0.0017328300000000, -0.0001801700000000 ] - [ 0.0036049200000000, 0.0008931200000000, -0.0035327300000000 ] - [ -0.0028005300000000, -0.0000531900000000, 0.0001947100000000 ] - [ -0.0001134200000000, -0.0000762700000000, 0.0003221500000000 ] - [ -0.0002288300000000, -0.0004689900000000, -0.0002101300000000 ] - [ 0.0000744600000000, -0.0000065000000000, 0.0001264900000000 ] - [ -0.0001530300000000, -0.0005567800000000, -0.0001543200000000 ] - [ -0.0010745300000000, 0.0009115100000000, -0.0032556100000000 ] - [ -0.0000014400000000, -0.0003893300000000, -0.0003697000000000 ] - [ -0.0001927700000000, -0.0002792700000000, 0.0009231000000000 ] - [ 0.0012617600000000, 0.0018003500000000, 0.0002451300000000 ] - [ 0.0004606400000000, -0.0004317500000000, -0.0002436700000000 ] - [ -0.0002719700000000, -0.0002352000000000, -0.0004683200000000 ] - [ -0.0002829400000000, -0.0005159700000000, 0.0015721900000000 ] - [ -0.0013972200000000, 0.0046655000000000, -0.0006743900000000 ] - [ 0.0017499200000000, -0.0018010100000000, -0.0012541500000000 ] - [ -0.0005718500000000, -0.0012074200000000, -0.0003354400000000 ] - [ 0.0029341300000000, -0.0015893300000000, -0.0028413300000000 ] - [ 0.0005382300000000, -0.0002523500000000, 0.0001122500000000 ] - [ 0.0002035000000000, 0.0000175600000000, 0.0023479400000000 ] - [ 0.0000315200000000, 0.0003442600000000, -0.0001905700000000 ] - [ 0.0019391300000000, 0.0001636000000000, -0.0007709700000000 ] - [ -0.0001475400000000, -0.0011694300000000, 0.0002009700000000 ] - [ -0.0000184100000000, 0.0008167300000000, -0.0020058200000000 ] - [ 0.0002714900000000, -0.0032427200000000, -0.0021549000000000 ] - [ -0.0097142400000000, -0.0105570600000000, 0.0547090600000000 ] - [ -0.0055784300000000, 0.0003836000000000, -0.0030772400000000 ] - [ -0.0027746300000000, -0.0031070900000000, 0.0030509700000000 ] - [ -0.0004289200000000, 0.0008352800000000, -0.0063059000000000 ] - [ -0.0006687400000000, -0.0002689100000000, 0.0000164000000000 ] - [ -0.0004103300000000, 0.0004135100000000, -0.0002345400000000 ] - [ 0.0002451200000000, -0.0003353700000000, 0.0005763000000000 ] - [ 0.0001894200000000, -0.0003175800000000, 0.0000780000000000 ] - [ 0.0003165900000000, 0.0000867800000000, -0.0012136900000000 ] - [ 0.0002209400000000, -0.0004987500000000, -0.0001273000000000 ] - [ 0.0002407300000000, -0.0006743600000000, -0.0005024100000000 ] - [ -0.0000012300000000, 0.0002274000000000, 0.0017030500000000 ] - [ 0.0006389300000000, 0.0010985300000000, -0.0003628400000000 ] - [ 0.0003130900000000, 0.0005879900000000, -0.0001772800000000 ] - [ 0.0020557600000000, 0.0002693000000000, 0.0022541100000000 ] - [ -0.0650903900000000, 0.1311554400000000, 0.1600744400000000 ] - [ -0.0028449300000000, -0.0016532200000000, -0.0005986400000000 ] - [ 0.0011162700000000, -0.0014055900000000, 0.0013212900000000 ] - [ -0.0000213600000000, 0.0010489100000000, 0.0005731700000000 ] - [ 0.0022813500000000, -0.0003878700000000, -0.0004794600000000 ] - [ 0.0000334700000000, -0.0004387800000000, -0.0019954000000000 ] - [ -0.0002265700000000, -0.0002288500000000, -0.0005661900000000 ] - [ -0.0001795100000000, 0.0010348300000000, 0.0019882400000000 ] - [ -0.0001370700000000, -0.0002431400000000, 0.0009617500000000 ] - [ 0.0002066700000000, -0.0006072700000000, -0.0001192700000000 ] - [ -0.0001659100000000, -0.0010017300000000, -0.0000716800000000 ] - [ -0.0024064300000000, -0.0039030200000000, -0.0037075400000000 ] - [ -0.0008093300000000, 0.0011520600000000, -0.0001038000000000 ] - [ 0.0011147200000000, 0.0010292800000000, 0.0032941200000000 ] - [ -0.0001506600000000, -0.0005156100000000, -0.0003330400000000 ] - [ -0.0003897600000000, -0.0002214200000000, -0.0007331500000000 ] - [ 0.0069016000000000, -0.0034853200000000, -0.0048936600000000 ] - [ 0.0000814600000000, -0.0002220900000000, -0.0006369600000000 ]- atom: 66 displacement: [ 0.0035230240541542, 0.0000000000000000, -0.0093588621911988 ] forces: - [ -0.0000572100000000, -0.0008307800000000, -0.0009518500000000 ] - [ -0.0000297000000000, -0.0000438600000000, 0.0001972000000000 ] - [ 0.0000778500000000, -0.0001354800000000, 0.0005705600000000 ] - [ -0.0001447200000000, 0.0013648500000000, 0.0060636200000000 ] - [ -0.0000810700000000, -0.0005528000000000, -0.0003775100000000 ] - [ 0.0000537500000000, -0.0001878000000000, 0.0004876400000000 ] - [ -0.0000835400000000, -0.0001101200000000, -0.0002987900000000 ] - [ -0.0000379900000000, 0.0007285200000000, -0.0009063300000000 ] - [ -0.0005676200000000, 0.0003664100000000, -0.0013677300000000 ] - [ 0.0000241200000000, -0.0000768300000000, -0.0002743000000000 ] - [ 0.0001345800000000, 0.0005294100000000, -0.0008147100000000 ] - [ -0.0004479900000000, -0.0044167500000000, 0.0011846600000000 ] - [ 0.0004506200000000, -0.0002339300000000, 0.0004385900000000 ] - [ 0.0001064700000000, 0.0000927500000000, 0.0007582500000000 ] - [ -0.0000807700000000, -0.0004212100000000, 0.0003063600000000 ] - [ -0.0002568100000000, 0.0001025300000000, -0.0002472700000000 ] - [ -0.0001517500000000, -0.0001279000000000, -0.0003511500000000 ] - [ -0.0001950300000000, -0.0007392200000000, -0.0013565200000000 ] - [ -0.0003731400000000, -0.0002601300000000, 0.0000653000000000 ] - [ 0.0008200700000000, 0.0005750900000000, -0.0013252000000000 ] - [ 0.0002686900000000, -0.0002498700000000, -0.0003188900000000 ] - [ -0.0001332700000000, 0.0001964200000000, 0.0001711700000000 ] - [ 0.0085379800000000, 0.0083708400000000, 0.0002818300000000 ] - [ 0.0054468700000000, 0.0024349400000000, 0.0008889000000000 ] - [ -0.0016105300000000, -0.0027648100000000, -0.0004146700000000 ] - [ 0.0019292600000000, -0.0030905200000000, -0.0008871200000000 ] - [ -0.0033102300000000, 0.0036356500000000, 0.0018478500000000 ] - [ 0.0001134400000000, 0.0007512500000000, 0.0000933300000000 ] - [ -0.0001068000000000, -0.0004607800000000, -0.0000511400000000 ] - [ 0.0013654000000000, 0.0018079900000000, -0.0018437300000000 ] - [ -0.0000937100000000, -0.0005414200000000, 0.0004233000000000 ] - [ 0.0000691500000000, -0.0004922200000000, -0.0000256100000000 ] - [ -0.0001468400000000, 0.0005095000000000, -0.0004637700000000 ] - [ -0.0003210800000000, -0.0008319500000000, -0.0005578300000000 ] - [ 0.0016354700000000, 0.0020780300000000, 0.0001537300000000 ] - [ -0.0011231500000000, 0.0020713500000000, 0.0000833800000000 ] - [ -0.0000400600000000, 0.0000337400000000, -0.0027705400000000 ] - [ 0.0003975500000000, -0.0013842200000000, -0.0012424200000000 ] - [ -0.0001026100000000, 0.0003092000000000, -0.0003057600000000 ] - [ -0.0001356300000000, -0.0013661400000000, 0.0005071300000000 ] - [ -0.0053676500000000, 0.0010120100000000, -0.0306984900000000 ] - [ -0.0018576900000000, 0.0020263900000000, 0.0000349200000000 ] - [ 0.0009619900000000, -0.0016666200000000, -0.0000449900000000 ] - [ -0.0002131400000000, 0.0000986900000000, 0.0017477600000000 ] - [ 0.0013679400000000, 0.0023056000000000, -0.0033202400000000 ] - [ 0.0076538800000000, -0.0277366600000000, -0.0024223400000000 ] - [ -0.0001391400000000, 0.0067931600000000, -0.0301503500000000 ] - [ -0.0012769500000000, -0.0029779200000000, -0.0004150500000000 ] - [ -0.0001667800000000, 0.0006446800000000, -0.0000773500000000 ] - [ 0.0000814900000000, -0.0006592500000000, 0.0000496900000000 ] - [ 0.0010157400000000, -0.0002261100000000, 0.0030484600000000 ] - [ -0.0000994800000000, -0.0001848700000000, -0.0011255600000000 ] - [ -0.0007837100000000, 0.0038578600000000, 0.0016595600000000 ] - [ -0.0001204500000000, -0.0010706000000000, 0.0002232100000000 ] - [ -0.0002943200000000, -0.0024959600000000, 0.0000228400000000 ] - [ -0.0004696100000000, 0.0003243000000000, 0.0013963700000000 ] - [ -0.0001570300000000, -0.0002773900000000, -0.0001109000000000 ] - [ 0.0002972400000000, -0.0003232600000000, -0.0001986200000000 ] - [ 0.0003704100000000, 0.0012372100000000, 0.0000166900000000 ] - [ 0.0036259000000000, -0.0013550600000000, -0.0014856600000000 ] - [ 0.0000901300000000, -0.0009629500000000, -0.0051738200000000 ] - [ -0.0000562400000000, -0.0001828400000000, 0.0008465700000000 ] - [ -0.0001154400000000, 0.0047232700000000, 0.0002481900000000 ] - [ 0.0054845400000000, -0.0026811700000000, -0.0013555500000000 ] - [ 0.0003089900000000, -0.0004820000000000, 0.0024711200000000 ] - [ -0.0560926100000000, 0.1204843300000000, 0.4177906900000000 ] - [ 0.0004761100000000, -0.0004923500000000, 0.0008100100000000 ] - [ 0.0003886400000000, 0.0031323700000000, -0.0040736100000000 ] - [ 0.0001931900000000, 0.0001764900000000, 0.0005489300000000 ] - [ 0.0000290900000000, 0.0005817900000000, -0.0016557100000000 ] - [ -0.0024529000000000, -0.0016100500000000, 0.0022391700000000 ] - [ 0.0002747000000000, -0.0000460900000000, 0.0000360300000000 ] - [ -0.0001076800000000, 0.0000356900000000, -0.0007815400000000 ] - [ -0.0000459700000000, -0.0002383000000000, -0.0002334500000000 ] - [ -0.0000734000000000, -0.0003574400000000, -0.0020597100000000 ] - [ -0.0003414500000000, -0.0003918900000000, -0.0003307500000000 ] - [ -0.0000723100000000, -0.0004106100000000, -0.0000636300000000 ] - [ -0.0000251800000000, -0.0006151100000000, -0.0001072700000000 ] - [ -0.0047061700000000, -0.0023058200000000, -0.0014147800000000 ] - [ -0.0044459600000000, 0.0000141500000000, -0.0002289900000000 ] - [ 0.0002200900000000, 0.0004963400000000, 0.0000769400000000 ] - [ -0.0000763000000000, 0.0000118300000000, 0.0016593900000000 ] - [ -0.0001880400000000, -0.0001516200000000, 0.0008404900000000 ] - [ -0.0001778900000000, 0.0004406300000000, -0.0001646600000000 ] - [ 0.0039896500000000, -0.0017016400000000, 0.0013140800000000 ] - [ 0.0006208000000000, -0.0002864000000000, 0.0013900000000000 ] - [ -0.0001242300000000, 0.0003116700000000, 0.0002933100000000 ] - [ 0.0004519000000000, 0.0007247800000000, -0.0013241200000000 ] - [ -0.0002682000000000, 0.0002339400000000, 0.0007664500000000 ] - [ 0.0005932500000000, 0.0006589700000000, 0.0000539700000000 ] - [ 0.0000834900000000, -0.0004234300000000, 0.0009782200000000 ] - [ -0.0001477400000000, 0.0006638100000000, 0.0001406600000000 ] - [ -0.0004472700000000, -0.0001759700000000, -0.0011339400000000 ] - [ -0.0295172200000000, -0.0000212100000000, -0.1747452500000000 ] - [ 0.0001463600000000, -0.0056555600000000, 0.0017308100000000 ] - [ 0.0000315900000000, -0.0013642000000000, -0.0002475900000000 ] - [ 0.0047067800000000, 0.0025221700000000, 0.0026492700000000 ] - [ 0.0000929200000000, 0.0005012200000000, -0.0004147800000000 ] - [ 0.0005029800000000, 0.0003812700000000, -0.0020379700000000 ] - [ 0.0005857900000000, -0.0004076800000000, -0.0011812400000000 ] - [ -0.0006651100000000, 0.0007592100000000, 0.0076143000000000 ] - [ -0.0004610400000000, -0.0002466000000000, -0.0015956300000000 ] - [ 0.0002399000000000, 0.0004460300000000, 0.0018994500000000 ] - [ -0.0001660300000000, 0.0001830100000000, 0.0003277900000000 ] - [ -0.0015194800000000, -0.0054113300000000, 0.0013512200000000 ] - [ -0.0016148100000000, 0.0004514800000000, 0.0026491100000000 ] - [ 0.0004154700000000, 0.0007468200000000, -0.0005669800000000 ] - [ 0.0006025100000000, 0.0006900000000000, 0.0006357600000000 ] - [ 0.0002066900000000, 0.0001035700000000, 0.0008821200000000 ] - [ -0.0002242700000000, 0.0001531100000000, -0.0002998900000000 ] - [ -0.0001044500000000, -0.0001486800000000, 0.0005327300000000 ] - [ -0.0000366100000000, 0.0003616800000000, -0.0003287100000000 ] - [ -0.0001073600000000, -0.0004350100000000, 0.0010246700000000 ] - [ -0.0000549900000000, -0.0008381100000000, 0.0005569800000000 ] - [ 0.0004072300000000, -0.0004959700000000, 0.0032898100000000 ] - [ 0.0004710200000000, 0.0004609700000000, -0.0004593400000000 ] - [ 0.0004516400000000, -0.0002523900000000, 0.0012233600000000 ] - [ -0.0002367600000000, -0.0030993500000000, -0.0003461300000000 ] - [ -0.0004060100000000, 0.0009782800000000, -0.0000645700000000 ] - [ -0.0032699300000000, -0.0010049300000000, 0.0038383000000000 ] - [ 0.0022821100000000, 0.0008417700000000, -0.0002543000000000 ] - [ -0.0001765300000000, -0.0001477300000000, 0.0000119600000000 ] - [ -0.0000884500000000, 0.0003656600000000, -0.0001235400000000 ] - [ 0.0001292500000000, 0.0003320800000000, -0.0000052200000000 ] - [ -0.0002510500000000, -0.0003197100000000, 0.0001029300000000 ] - [ 0.0008216800000000, -0.0010435000000000, 0.0029535000000000 ] - [ -0.0000784100000000, 0.0003107000000000, -0.0002924600000000 ] - [ -0.0000540300000000, 0.0004157600000000, -0.0012154100000000 ] - [ -0.0003123700000000, -0.0016389000000000, -0.0001146400000000 ] - [ 0.0004807000000000, 0.0009981700000000, 0.0001157800000000 ] - [ -0.0001964700000000, 0.0001632200000000, 0.0002767300000000 ] - [ 0.0000187800000000, 0.0004025800000000, -0.0013694200000000 ] - [ 0.0011957100000000, -0.0049989000000000, 0.0005631300000000 ] - [ -0.0016059400000000, 0.0030032600000000, 0.0009194700000000 ] - [ -0.0003792700000000, 0.0013594200000000, 0.0002106300000000 ] - [ -0.0026848500000000, 0.0026502700000000, 0.0024994100000000 ] - [ 0.0004146100000000, 0.0000982900000000, 0.0000141500000000 ] - [ 0.0001855000000000, -0.0000874000000000, -0.0027340900000000 ] - [ 0.0001936200000000, 0.0007633200000000, -0.0001765300000000 ] - [ -0.0029003800000000, -0.0003154000000000, 0.0006436700000000 ] - [ -0.0001054900000000, 0.0000963500000000, 0.0001487600000000 ] - [ -0.0005264800000000, -0.0008948500000000, 0.0017956800000000 ] - [ -0.0003494900000000, 0.0033250300000000, 0.0014953600000000 ] - [ 0.0084913300000000, 0.0118698800000000, -0.0547866600000000 ] - [ 0.0053373000000000, 0.0007292700000000, 0.0034337700000000 ] - [ 0.0032215800000000, 0.0031845600000000, -0.0033007100000000 ] - [ 0.0001943900000000, -0.0009831400000000, 0.0067068200000000 ] - [ -0.0002716400000000, -0.0003005500000000, 0.0001115600000000 ] - [ -0.0001112100000000, -0.0012002600000000, 0.0001740200000000 ] - [ 0.0000018000000000, 0.0001977000000000, -0.0002857100000000 ] - [ 0.0000425900000000, 0.0001673900000000, -0.0005114700000000 ] - [ -0.0000834600000000, 0.0000635700000000, 0.0007784800000000 ] - [ 0.0002614200000000, -0.0000052700000000, -0.0007116200000000 ] - [ 0.0001606400000000, 0.0015478700000000, 0.0005549200000000 ] - [ -0.0004266500000000, -0.0002954700000000, -0.0014719100000000 ] - [ -0.0009147900000000, -0.0008694600000000, 0.0006943600000000 ] - [ -0.0000216100000000, -0.0013429200000000, 0.0004198200000000 ] - [ -0.0015666200000000, -0.0003354800000000, -0.0020533000000000 ] - [ 0.0633713500000000, -0.1233294800000000, -0.1553262200000000 ] - [ 0.0031285900000000, 0.0014308200000000, 0.0002638300000000 ] - [ -0.0009835800000000, 0.0013847700000000, -0.0021727500000000 ] - [ -0.0001289500000000, 0.0001396800000000, -0.0002393100000000 ] - [ -0.0024739700000000, 0.0007078800000000, 0.0003593400000000 ] - [ 0.0003498900000000, 0.0005148400000000, 0.0016150000000000 ] - [ -0.0002326300000000, 0.0003133500000000, 0.0008107200000000 ] - [ -0.0000522200000000, -0.0008856200000000, -0.0015580500000000 ] - [ 0.0000032500000000, 0.0002607000000000, -0.0001104300000000 ] - [ 0.0000839800000000, 0.0008283400000000, -0.0002146900000000 ] - [ 0.0003678100000000, 0.0006717200000000, 0.0001916800000000 ] - [ 0.0033367900000000, 0.0033184500000000, 0.0035607000000000 ] - [ -0.0001089800000000, -0.0005877600000000, 0.0002511300000000 ] - [ -0.0005375700000000, -0.0012288300000000, -0.0037845800000000 ] - [ -0.0001674200000000, 0.0006171600000000, -0.0000025200000000 ] - [ -0.0001875000000000, 0.0001916000000000, 0.0001441200000000 ] - [ -0.0065267300000000, 0.0026292300000000, 0.0049788700000000 ] - [ 0.0004849700000000, 0.0004178300000000, 0.0001750200000000 ]- atom: 81 displacement: [ 0.0099999639143206, 0.0000000000000000, -0.0000268647033593 ] forces: - [ -0.0000389800000000, 0.0000410000000000, 0.0000342300000000 ] - [ -0.0005964400000000, 0.0002639200000000, -0.0002359500000000 ] - [ 0.0003679600000000, 0.0001023000000000, -0.0001459400000000 ] - [ 0.0000799700000000, -0.0003471700000000, 0.0001636000000000 ] - [ -0.0013910000000000, -0.0002784300000000, 0.0002458700000000 ] - [ -0.0013345800000000, -0.0015077700000000, 0.0016924100000000 ] - [ 0.0006573200000000, 0.0000851200000000, -0.0005488200000000 ] - [ 0.0002306800000000, 0.0002466700000000, 0.0000875500000000 ] - [ -0.0000014200000000, -0.0000697900000000, -0.0000545400000000 ] - [ 0.0015698800000000, 0.0008758800000000, 0.0002861000000000 ] - [ 0.0001593300000000, 0.0002724500000000, 0.0001992200000000 ] - [ 0.0000010100000000, -0.0001017200000000, 0.0001254000000000 ] - [ 0.0004480000000000, -0.0005155600000000, -0.0002011100000000 ] - [ 0.0000847500000000, -0.0000516200000000, -0.0001082700000000 ] - [ 0.0009510000000000, 0.0001454200000000, 0.0004175300000000 ] - [ -0.0001141600000000, -0.0003674500000000, 0.0002686300000000 ] - [ -0.0019798600000000, -0.0019110900000000, -0.0018036500000000 ] - [ -0.0002527100000000, 0.0001014400000000, -0.0000085700000000 ] - [ 0.0007477900000000, 0.0009826400000000, 0.0013792200000000 ] - [ 0.0000836000000000, 0.0002378700000000, -0.0000049600000000 ] - [ -0.0011224000000000, -0.0003476200000000, 0.0002155100000000 ] - [ -0.0002623400000000, 0.0016552300000000, -0.0024109500000000 ] - [ -0.0001520700000000, -0.0002481600000000, 0.0001770600000000 ] - [ 0.0000720000000000, 0.0000957400000000, 0.0000799600000000 ] - [ -0.0009024500000000, -0.0011248700000000, 0.0005127100000000 ] - [ 0.0013333200000000, -0.0001283600000000, 0.0004947700000000 ] - [ -0.0009472100000000, -0.0003185400000000, 0.0003821600000000 ] - [ 0.0224442700000000, -0.0010391300000000, -0.0008078000000000 ] - [ -0.0000531200000000, 0.0001200200000000, -0.0021473200000000 ] - [ 0.0003871700000000, 0.0003198800000000, -0.0003791500000000 ] - [ 0.0024345200000000, -0.0088695600000000, -0.0013866300000000 ] - [ -0.0159436000000000, 0.0075397400000000, 0.0042406700000000 ] - [ -0.0006455500000000, 0.0011798200000000, -0.0007868300000000 ] - [ -0.0002506000000000, -0.0000354300000000, 0.0015995000000000 ] - [ -0.0000328700000000, -0.0002268800000000, -0.0003696900000000 ] - [ 0.0000807700000000, -0.0002948900000000, -0.0003271500000000 ] - [ -0.0001436900000000, 0.0000903300000000, -0.0004204600000000 ] - [ 0.0050533800000000, 0.0063689400000000, -0.0062137500000000 ] - [ -0.0047181300000000, 0.0028525400000000, -0.0001402100000000 ] - [ -0.0037735600000000, -0.0009989800000000, -0.0002600900000000 ] - [ -0.0002494200000000, -0.0001795800000000, 0.0000831900000000 ] - [ 0.0002372600000000, 0.0001847400000000, 0.0003822500000000 ] - [ 0.0000880900000000, 0.0000367200000000, -0.0002974300000000 ] - [ -0.0003693700000000, 0.0003396100000000, 0.0004821100000000 ] - [ 0.0005228400000000, -0.0009123400000000, -0.0004540500000000 ] - [ -0.0001579200000000, 0.0004055000000000, 0.0000611200000000 ] - [ 0.0000565600000000, 0.0002553600000000, 0.0002041100000000 ] - [ -0.0003487800000000, 0.0000791400000000, 0.0010938500000000 ] - [ -0.0002224000000000, -0.0001709900000000, -0.0000321500000000 ] - [ 0.0027019200000000, -0.0014658200000000, 0.0001152300000000 ] - [ 0.0003270500000000, 0.0000863800000000, -0.0003530100000000 ] - [ -0.0008535200000000, 0.0004858300000000, 0.0005303100000000 ] - [ -0.0017006700000000, -0.0010148700000000, -0.0001218100000000 ] - [ -0.0012897700000000, 0.0026786200000000, -0.0006314000000000 ] - [ 0.0002055200000000, -0.0000132600000000, 0.0002399600000000 ] - [ -0.0002030000000000, -0.0004025700000000, -0.0005359800000000 ] - [ -0.0000634900000000, 0.0004459700000000, -0.0002551000000000 ] - [ 0.0003438800000000, -0.0004852700000000, -0.0001757600000000 ] - [ 0.0012228000000000, 0.0030337500000000, 0.0001603900000000 ] - [ 0.0001477200000000, -0.0003789600000000, 0.0000991400000000 ] - [ -0.0000307100000000, 0.0000261500000000, -0.0002823500000000 ] - [ -0.0017251800000000, 0.0000472700000000, -0.0025466800000000 ] - [ -0.0000002400000000, 0.0002735900000000, 0.0000990700000000 ] - [ -0.0002057300000000, -0.0002932000000000, 0.0001150700000000 ] - [ 0.0000816800000000, 0.0000387700000000, -0.0001398000000000 ] - [ 0.0001478600000000, -0.0001532500000000, 0.0000075700000000 ] - [ -0.0006263400000000, 0.0004975800000000, -0.0003014600000000 ] - [ 0.0000143500000000, 0.0003477600000000, -0.0003502000000000 ] - [ -0.0009350900000000, 0.0027367700000000, 0.0028240700000000 ] - [ 0.0003379900000000, 0.0005491400000000, -0.0003224600000000 ] - [ -0.0000496300000000, -0.0003036000000000, 0.0016909400000000 ] - [ 0.2713064900000000, -0.0640677500000000, -0.0058548800000000 ] - [ 0.0004551900000000, -0.0002315000000000, -0.0006666900000000 ] - [ 0.0054225000000000, -0.0023101800000000, 0.0058613400000000 ] - [ -0.0000828900000000, 0.0000840100000000, -0.0001549300000000 ] - [ -0.0006299500000000, 0.0008998700000000, -0.0028700000000000 ] - [ -0.0001152300000000, -0.0004878600000000, -0.0000381000000000 ] - [ -0.0081130100000000, -0.0013591400000000, 0.0011945400000000 ] - [ 0.0000368100000000, -0.0001417900000000, 0.0001061300000000 ] - [ -0.0002844800000000, 0.0001938200000000, -0.0000257600000000 ] - [ -0.3883734000000000, 0.0748439600000000, 0.0123196000000000 ] - [ 0.0012833300000000, -0.0004743600000000, -0.0000775700000000 ] - [ -0.0004303900000000, -0.0005337500000000, 0.0010303200000000 ] - [ 0.0681035500000000, 0.0163563500000000, -0.0080263000000000 ] - [ 0.0002318000000000, -0.0000575900000000, 0.0002831900000000 ] - [ 0.0003755800000000, 0.0000865900000000, 0.0000589200000000 ] - [ -0.0045046500000000, 0.0021628700000000, 0.0005231800000000 ] - [ 0.0001224700000000, -0.0000540400000000, -0.0000012300000000 ] - [ -0.0009356900000000, -0.0000057700000000, -0.0029009800000000 ] - [ 0.0002158600000000, -0.0005410200000000, -0.0002484100000000 ] - [ -0.0014632000000000, 0.0001998400000000, 0.0013845000000000 ] - [ 0.0074217600000000, 0.0002387700000000, -0.0008189900000000 ] - [ -0.0004268900000000, 0.0002997300000000, 0.0003446000000000 ] - [ 0.0002746100000000, 0.0000045800000000, 0.0001898300000000 ] - [ 0.0003658400000000, 0.0003810800000000, 0.0004292600000000 ] - [ -0.0014955600000000, -0.0063013900000000, 0.0006702300000000 ] - [ 0.0004053300000000, 0.0004956500000000, 0.0001146100000000 ] - [ 0.0021554200000000, -0.0042797400000000, -0.0012394800000000 ] - [ -0.0015804500000000, 0.0004697000000000, -0.0018338600000000 ] - [ 0.0015161500000000, 0.0005109900000000, -0.0001808600000000 ] - [ 0.0000307000000000, -0.0000036300000000, -0.0004104600000000 ] - [ 0.0004063800000000, -0.0005822400000000, 0.0002099400000000 ] - [ -0.0002901700000000, -0.0008607500000000, 0.0002571300000000 ] - [ -0.0010117100000000, 0.0006542500000000, 0.0001868900000000 ] - [ 0.0001224700000000, -0.0005301700000000, -0.0001424600000000 ] - [ -0.0003782500000000, 0.0001263500000000, 0.0001526500000000 ] - [ -0.0007534200000000, -0.0001708300000000, -0.0008901300000000 ] - [ 0.0011713300000000, -0.0004642400000000, -0.0011444300000000 ] - [ 0.0010230800000000, -0.0003289900000000, -0.0001729400000000 ] - [ 0.0001876200000000, 0.0000464500000000, 0.0006108800000000 ] - [ 0.0023709500000000, -0.0016901300000000, 0.0030268000000000 ] - [ 0.0016693500000000, -0.0010903700000000, -0.0003153100000000 ] - [ 0.0000200400000000, 0.0000168900000000, -0.0000218400000000 ] - [ 0.0000714300000000, -0.0001011300000000, 0.0005586000000000 ] - [ -0.0003162100000000, -0.0002651500000000, 0.0003651300000000 ] - [ 0.0021413100000000, 0.0013421200000000, 0.0018667800000000 ] - [ -0.0001628000000000, 0.0002598700000000, 0.0005834400000000 ] - [ 0.0001501900000000, 0.0001031800000000, 0.0001167900000000 ] - [ -0.0002053000000000, -0.0005728100000000, -0.0003115100000000 ] - [ 0.0000217100000000, 0.0000617200000000, 0.0001520200000000 ] - [ -0.0001857800000000, 0.0005332800000000, -0.0000325800000000 ] - [ -0.0001520200000000, 0.0000459300000000, -0.0000956000000000 ] - [ 0.0056791100000000, 0.0008410200000000, -0.0003802600000000 ] - [ 0.0135486900000000, -0.0007130500000000, 0.0026075700000000 ] - [ -0.0002424600000000, -0.0002618000000000, 0.0003919700000000 ] - [ -0.0000246000000000, -0.0000798800000000, -0.0000444700000000 ] - [ 0.0203656400000000, -0.0345257000000000, 0.0013939500000000 ] - [ 0.0002883700000000, 0.0004028400000000, 0.0001329300000000 ] - [ 0.0010851600000000, 0.0026141100000000, 0.0001115800000000 ] - [ -0.0029328900000000, 0.0010273500000000, -0.0007299400000000 ] - [ 0.0025411100000000, 0.0053347300000000, -0.0083250800000000 ] - [ -0.0001930000000000, -0.0002219400000000, -0.0001082000000000 ] - [ -0.0001246400000000, -0.0001369700000000, -0.0000784800000000 ] - [ 0.0000452900000000, 0.0005057000000000, -0.0000599200000000 ] - [ 0.0012058700000000, -0.0008783100000000, 0.0001393600000000 ] - [ 0.0000012400000000, 0.0005123800000000, -0.0002020200000000 ] - [ 0.0002841600000000, 0.0000989900000000, -0.0001945600000000 ] - [ 0.0001663300000000, -0.0000423600000000, -0.0001678000000000 ] - [ 0.0002152900000000, 0.0007626800000000, -0.0002463400000000 ] - [ -0.0004712300000000, -0.0000937200000000, -0.0000246100000000 ] - [ -0.0000793600000000, -0.0006389100000000, 0.0004442200000000 ] - [ -0.0001772600000000, 0.0000885600000000, 0.0000509500000000 ] - [ -0.0000386400000000, -0.0001516100000000, -0.0004796700000000 ] - [ -0.0000983200000000, 0.0001416900000000, 0.0001527600000000 ] - [ -0.0001106600000000, 0.0005176200000000, 0.0001845100000000 ] - [ 0.0002141000000000, 0.0003921700000000, -0.0006349700000000 ] - [ -0.0000514600000000, -0.0000376700000000, 0.0002693100000000 ] - [ -0.0003170300000000, -0.0001372300000000, 0.0003640400000000 ] - [ -0.0001818500000000, -0.0004085300000000, -0.0000274900000000 ] - [ -0.0001207000000000, -0.0005233200000000, -0.0014060400000000 ] - [ 0.0013789700000000, -0.0015579700000000, -0.0045484200000000 ] - [ -0.0007270200000000, -0.0002251800000000, 0.0002274400000000 ] - [ -0.0012753000000000, 0.0027922000000000, 0.0058363300000000 ] - [ 0.0000229900000000, -0.0008937700000000, 0.0000025700000000 ] - [ -0.0002308400000000, -0.0001338100000000, 0.0001725300000000 ] - [ -0.0018115500000000, -0.0000928100000000, 0.0001342900000000 ] - [ 0.0001483900000000, -0.0004205600000000, 0.0001571900000000 ] - [ 0.0001390100000000, -0.0000248400000000, 0.0001013600000000 ] - [ 0.0001823200000000, -0.0002586700000000, -0.0003526400000000 ] - [ 0.0001648100000000, -0.0002006500000000, -0.0001637700000000 ] - [ -0.0001375600000000, -0.0000976200000000, -0.0005093600000000 ] - [ -0.0000272600000000, 0.0007371000000000, 0.0002260500000000 ] - [ -0.0002996100000000, 0.0001755500000000, -0.0000925900000000 ] - [ 0.0004321500000000, 0.0001468100000000, -0.0004613800000000 ] - [ 0.0002700300000000, -0.0001285100000000, 0.0000063800000000 ] - [ -0.0000331500000000, 0.0001365900000000, 0.0004061700000000 ] - [ 0.0001426400000000, -0.0004774100000000, 0.0032988800000000 ] - [ 0.0011123100000000, 0.0053312200000000, -0.0005475700000000 ] - [ 0.0002373200000000, -0.0002634600000000, 0.0001043800000000 ] - [ 0.0004691100000000, -0.0003695600000000, -0.0001894900000000 ] - [ -0.0001083900000000, -0.0009500200000000, 0.0000849100000000 ] - [ 0.0007110700000000, -0.0004052900000000, -0.0000917800000000 ] - [ -0.0001083400000000, -0.0000714800000000, -0.0000782700000000 ] - [ 0.0002988500000000, -0.0000260100000000, 0.0019514700000000 ] - [ 0.0002066600000000, -0.0004411800000000, -0.0000037200000000 ] - [ 0.0012440900000000, -0.0011498900000000, 0.0018448000000000 ]- atom: 81 displacement: [ -0.0099999639143206, 0.0000000000000000, 0.0000268647033593 ] forces: - [ 0.0002288400000000, -0.0002514800000000, 0.0001498600000000 ] - [ 0.0004665600000000, 0.0001738300000000, 0.0001853800000000 ] - [ 0.0002482600000000, -0.0001108600000000, 0.0000003200000000 ] - [ 0.0000118600000000, -0.0003151200000000, 0.0001159600000000 ] - [ 0.0012954200000000, -0.0003916300000000, -0.0005305300000000 ] - [ 0.0011494500000000, 0.0012764200000000, -0.0018653000000000 ] - [ -0.0008416900000000, 0.0001201300000000, 0.0003727000000000 ] - [ 0.0006366000000000, 0.0000892200000000, 0.0001306700000000 ] - [ 0.0000600300000000, -0.0000309500000000, -0.0000596500000000 ] - [ -0.0016866600000000, -0.0007368100000000, -0.0000804800000000 ] - [ -0.0000679600000000, 0.0003962700000000, 0.0000795800000000 ] - [ 0.0001274700000000, -0.0003355400000000, -0.0000699700000000 ] - [ 0.0004191500000000, 0.0001807000000000, 0.0004204800000000 ] - [ -0.0000267200000000, 0.0001587900000000, -0.0000048900000000 ] - [ -0.0010032700000000, -0.0002567800000000, -0.0003119000000000 ] - [ -0.0005052500000000, 0.0003578200000000, -0.0001256200000000 ] - [ 0.0018524500000000, 0.0014533200000000, 0.0017366000000000 ] - [ -0.0006182800000000, -0.0004345800000000, -0.0002057400000000 ] - [ -0.0016113000000000, -0.0006500700000000, -0.0015935100000000 ] - [ 0.0000442800000000, 0.0002064000000000, 0.0000604900000000 ] - [ 0.0017423400000000, 0.0003611900000000, -0.0003653500000000 ] - [ 0.0001479400000000, -0.0009932500000000, 0.0021214000000000 ] - [ -0.0004654200000000, 0.0002648500000000, -0.0000346100000000 ] - [ 0.0001176100000000, 0.0001210300000000, 0.0001051500000000 ] - [ 0.0014292300000000, 0.0008223700000000, 0.0004071300000000 ] - [ -0.0012666800000000, -0.0003305500000000, -0.0002053000000000 ] - [ 0.0005725500000000, -0.0007057100000000, 0.0002790200000000 ] - [ -0.0228081400000000, 0.0009376900000000, -0.0001740400000000 ] - [ -0.0000149900000000, 0.0003454000000000, 0.0018532000000000 ] - [ -0.0002046700000000, 0.0000097800000000, -0.0004940500000000 ] - [ -0.0029896100000000, 0.0087716400000000, 0.0021214500000000 ] - [ 0.0160211100000000, -0.0070961100000000, -0.0041313300000000 ] - [ 0.0002731500000000, -0.0001507600000000, 0.0014435400000000 ] - [ -0.0002754500000000, 0.0003469400000000, -0.0025162900000000 ] - [ -0.0000837300000000, -0.0001430400000000, 0.0002822900000000 ] - [ 0.0001046700000000, -0.0000146600000000, -0.0005438300000000 ] - [ 0.0005465400000000, 0.0000973000000000, 0.0003385600000000 ] - [ -0.0046676900000000, -0.0073876600000000, 0.0055290700000000 ] - [ 0.0046255400000000, -0.0033691000000000, -0.0001521000000000 ] - [ 0.0041741300000000, 0.0008259900000000, 0.0001894700000000 ] - [ 0.0001348300000000, 0.0005651500000000, -0.0001725000000000 ] - [ 0.0002857700000000, 0.0001418100000000, 0.0005384900000000 ] - [ 0.0000307600000000, -0.0004150600000000, 0.0003974500000000 ] - [ -0.0000279800000000, -0.0001523800000000, -0.0003896900000000 ] - [ -0.0009100900000000, 0.0007562100000000, 0.0005439400000000 ] - [ 0.0005358400000000, 0.0006230800000000, -0.0007263500000000 ] - [ 0.0000122300000000, 0.0002248500000000, 0.0000854900000000 ] - [ 0.0001625700000000, -0.0003957900000000, -0.0002303200000000 ] - [ -0.0000953700000000, -0.0003006000000000, -0.0000221400000000 ] - [ -0.0026455300000000, 0.0018779400000000, 0.0000531800000000 ] - [ 0.0001243000000000, -0.0000147100000000, -0.0003435600000000 ] - [ 0.0011436000000000, -0.0006196700000000, 0.0000060200000000 ] - [ 0.0021435800000000, 0.0016847600000000, -0.0001201100000000 ] - [ 0.0008691500000000, -0.0020045900000000, 0.0008649600000000 ] - [ 0.0001107600000000, -0.0004680800000000, -0.0001856900000000 ] - [ 0.0005023400000000, -0.0003737400000000, 0.0000857300000000 ] - [ 0.0000974600000000, 0.0001599200000000, 0.0000376600000000 ] - [ 0.0000763600000000, -0.0001785600000000, -0.0000623200000000 ] - [ -0.0013065100000000, -0.0026136400000000, -0.0003303000000000 ] - [ -0.0001796600000000, -0.0002225000000000, 0.0001169500000000 ] - [ -0.0002690000000000, 0.0001114700000000, -0.0002571800000000 ] - [ 0.0019915500000000, 0.0000748900000000, 0.0030915500000000 ] - [ -0.0000327800000000, 0.0003424000000000, 0.0001173500000000 ] - [ -0.0002142200000000, -0.0003654900000000, 0.0001250400000000 ] - [ -0.0003727700000000, -0.0001697800000000, -0.0004020200000000 ] - [ 0.0001040200000000, -0.0001017900000000, -0.0001481900000000 ] - [ 0.0003725500000000, -0.0002393800000000, 0.0004455700000000 ] - [ 0.0002900800000000, 0.0004377800000000, -0.0001075000000000 ] - [ 0.0006356900000000, -0.0019489800000000, -0.0023551500000000 ] - [ -0.0000837200000000, -0.0002851400000000, 0.0001756600000000 ] - [ -0.0003911100000000, 0.0002502500000000, -0.0010350200000000 ] - [ -0.2530371600000000, 0.0576660600000000, 0.0053700300000000 ] - [ -0.0007209700000000, -0.0005488900000000, 0.0011513400000000 ] - [ -0.0059151800000000, 0.0023691800000000, -0.0051836700000000 ] - [ 0.0005312700000000, -0.0001523800000000, -0.0005437300000000 ] - [ 0.0003790800000000, -0.0011509400000000, 0.0029945300000000 ] - [ 0.0000434100000000, 0.0000897000000000, -0.0001310300000000 ] - [ 0.0081458100000000, 0.0007542300000000, -0.0014186000000000 ] - [ 0.0000342800000000, -0.0002503500000000, 0.0000619300000000 ] - [ -0.0000335700000000, 0.0002892700000000, -0.0000278000000000 ] - [ 0.3699249000000000, -0.0670223100000000, -0.0114233100000000 ] - [ -0.0014075200000000, 0.0004619100000000, 0.0009163400000000 ] - [ -0.0001237300000000, 0.0003580200000000, -0.0005519700000000 ] - [ -0.0669498200000000, -0.0151843000000000, 0.0076015900000000 ] - [ -0.0001639400000000, -0.0000701100000000, 0.0003796500000000 ] - [ 0.0001111900000000, -0.0000166100000000, 0.0001580000000000 ] - [ 0.0050018100000000, -0.0022520500000000, -0.0007773200000000 ] - [ -0.0006827400000000, 0.0001356000000000, -0.0002100200000000 ] - [ 0.0005510100000000, -0.0000542100000000, 0.0033242900000000 ] - [ 0.0002576700000000, -0.0002554900000000, 0.0003151000000000 ] - [ 0.0016734900000000, -0.0001083300000000, -0.0011483000000000 ] - [ -0.0076946500000000, 0.0008631800000000, 0.0011692600000000 ] - [ -0.0000546400000000, 0.0002102900000000, 0.0004894000000000 ] - [ 0.0002947400000000, -0.0000344100000000, 0.0003827000000000 ] - [ -0.0005243300000000, -0.0015733300000000, -0.0000918200000000 ] - [ 0.0017466900000000, 0.0051782500000000, -0.0010401100000000 ] - [ -0.0001371300000000, 0.0002736100000000, 0.0001277900000000 ] - [ -0.0020034600000000, 0.0030760000000000, 0.0008974300000000 ] - [ 0.0011713900000000, -0.0004175700000000, 0.0023138100000000 ] - [ -0.0019174700000000, 0.0003625800000000, 0.0001245500000000 ] - [ 0.0001011800000000, 0.0000184500000000, -0.0004255400000000 ] - [ -0.0009727800000000, 0.0006149200000000, -0.0007851100000000 ] - [ 0.0008587200000000, 0.0008810400000000, 0.0003186500000000 ] - [ 0.0007967700000000, -0.0017928900000000, 0.0001810000000000 ] - [ 0.0001502000000000, -0.0005577700000000, -0.0002050300000000 ] - [ 0.0001445900000000, -0.0000435900000000, 0.0000388700000000 ] - [ 0.0002727400000000, 0.0002400600000000, 0.0006949200000000 ] - [ -0.0006870400000000, 0.0009757000000000, 0.0003082300000000 ] - [ -0.0007853600000000, 0.0002410100000000, -0.0000188100000000 ] - [ -0.0005188700000000, 0.0004992900000000, -0.0000271500000000 ] - [ -0.0026994600000000, 0.0011388400000000, -0.0024184600000000 ] - [ -0.0011049700000000, 0.0009998400000000, 0.0005158000000000 ] - [ 0.0003109400000000, 0.0005199500000000, -0.0005599800000000 ] - [ -0.0000024200000000, 0.0002196600000000, 0.0001056900000000 ] - [ -0.0001602300000000, -0.0002507300000000, 0.0004723200000000 ] - [ -0.0018899600000000, -0.0012480200000000, -0.0020847300000000 ] - [ 0.0007033200000000, -0.0001760000000000, -0.0003842300000000 ] - [ 0.0001737800000000, 0.0000294200000000, 0.0002150000000000 ] - [ -0.0000663500000000, -0.0001968400000000, 0.0000666100000000 ] - [ 0.0003033600000000, -0.0002126500000000, 0.0001816600000000 ] - [ -0.0002873300000000, 0.0002613200000000, -0.0000331600000000 ] - [ -0.0001258300000000, -0.0002850800000000, 0.0004255100000000 ] - [ -0.0060047800000000, -0.0009853500000000, 0.0000448300000000 ] - [ -0.0134624700000000, 0.0010703100000000, -0.0025430900000000 ] - [ -0.0001450700000000, -0.0006021400000000, -0.0004506600000000 ] - [ -0.0002096000000000, -0.0000599300000000, -0.0002407800000000 ] - [ -0.0203760100000000, 0.0340868100000000, -0.0020548400000000 ] - [ -0.0005200500000000, -0.0002711600000000, -0.0004209000000000 ] - [ -0.0002096600000000, -0.0024952000000000, 0.0000047600000000 ] - [ 0.0039055500000000, -0.0004487700000000, 0.0005987600000000 ] - [ -0.0030444400000000, -0.0054423200000000, 0.0081864700000000 ] - [ -0.0000453600000000, 0.0001310000000000, 0.0002999200000000 ] - [ -0.0000902100000000, -0.0001975100000000, -0.0000385200000000 ] - [ 0.0001058100000000, 0.0006710400000000, -0.0002807000000000 ] - [ -0.0021459500000000, 0.0010131500000000, -0.0002614500000000 ] - [ 0.0002756400000000, 0.0005645500000000, -0.0001453400000000 ] - [ 0.0006603500000000, -0.0002415500000000, 0.0003152800000000 ] - [ 0.0002266100000000, -0.0000277000000000, -0.0002459500000000 ] - [ 0.0000032600000000, 0.0003670200000000, -0.0001210500000000 ] - [ -0.0004700900000000, -0.0000505500000000, -0.0000987500000000 ] - [ -0.0001991100000000, -0.0004413600000000, -0.0000981600000000 ] - [ -0.0003905900000000, -0.0001813400000000, -0.0002623300000000 ] - [ -0.0000301200000000, 0.0002777700000000, -0.0001837100000000 ] - [ -0.0004562000000000, 0.0000291100000000, 0.0003203600000000 ] - [ -0.0001079400000000, 0.0006024700000000, 0.0001836600000000 ] - [ 0.0002546700000000, -0.0002950000000000, 0.0003942300000000 ] - [ -0.0001836200000000, -0.0001023100000000, 0.0001591700000000 ] - [ -0.0006479100000000, -0.0004497300000000, -0.0002305400000000 ] - [ -0.0002922000000000, -0.0003966800000000, -0.0000384300000000 ] - [ 0.0003449800000000, 0.0003857000000000, 0.0016776700000000 ] - [ -0.0011486400000000, 0.0014201900000000, 0.0040975200000000 ] - [ 0.0009526100000000, 0.0003597600000000, -0.0006757900000000 ] - [ 0.0018089400000000, -0.0032651900000000, -0.0066543900000000 ] - [ 0.0003611700000000, 0.0017527000000000, 0.0000583500000000 ] - [ -0.0002563600000000, 0.0000250200000000, 0.0000817300000000 ] - [ 0.0015404200000000, 0.0003139500000000, 0.0001960300000000 ] - [ 0.0001226800000000, -0.0003609700000000, 0.0000850600000000 ] - [ 0.0003505500000000, -0.0000497100000000, 0.0001178500000000 ] - [ 0.0001493300000000, -0.0002871300000000, -0.0002334000000000 ] - [ 0.0001128100000000, -0.0000406800000000, -0.0001663500000000 ] - [ 0.0002685500000000, 0.0000771900000000, -0.0003268700000000 ] - [ -0.0001238100000000, 0.0004430000000000, 0.0001091900000000 ] - [ 0.0000827900000000, 0.0001465300000000, -0.0000237400000000 ] - [ -0.0000395800000000, -0.0000832900000000, 0.0000494800000000 ] - [ -0.0007554200000000, 0.0002312300000000, 0.0002478800000000 ] - [ -0.0002003200000000, -0.0000046000000000, 0.0000176300000000 ] - [ -0.0002677500000000, 0.0005009700000000, -0.0024668800000000 ] - [ -0.0008498700000000, -0.0051399400000000, 0.0002240000000000 ] - [ -0.0000202300000000, -0.0000623200000000, 0.0000144600000000 ] - [ 0.0004958600000000, -0.0002202100000000, 0.0000577100000000 ] - [ -0.0008423200000000, 0.0015290900000000, 0.0000490300000000 ] - [ -0.0001592900000000, 0.0002336200000000, -0.0003820800000000 ] - [ -0.0002176900000000, 0.0002128400000000, -0.0002545500000000 ] - [ -0.0008693400000000, -0.0000010400000000, -0.0025122600000000 ] - [ 0.0001809200000000, -0.0004280200000000, 0.0000628000000000 ] - [ -0.0006893400000000, 0.0013210700000000, -0.0023092700000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001668100000000, -0.0008623000000000, 0.0001547300000000 ] - [ -0.0001558800000000, 0.0010182800000000, -0.0002736200000000 ] - [ 0.0004668300000000, -0.0001810600000000, 0.0001578800000000 ] - [ 0.0000649100000000, -0.0009091100000000, 0.0001913600000000 ] - [ 0.0000330000000000, 0.0007567900000000, 0.0000325000000000 ] - [ -0.0010180000000000, 0.0007429700000000, 0.0004895900000000 ] - [ 0.0000223400000000, 0.0014130200000000, 0.0003750800000000 ] - [ 0.0004722100000000, -0.0002303400000000, -0.0001208000000000 ] - [ 0.0000088800000000, -0.0006332600000000, -0.0000886400000000 ] - [ 0.0006583900000000, 0.0028041100000000, -0.0001981400000000 ] - [ -0.0000519100000000, -0.0004035800000000, 0.0002146500000000 ] - [ 0.0000694400000000, -0.0009201300000000, -0.0000341700000000 ] - [ 0.0004324300000000, -0.0004751800000000, -0.0001829700000000 ] - [ 0.0000478300000000, -0.0006300400000000, -0.0001483000000000 ] - [ 0.0000413500000000, 0.0014550000000000, 0.0001125500000000 ] - [ -0.0005060300000000, -0.0003626500000000, 0.0005539700000000 ] - [ -0.0009029200000000, 0.0006831600000000, -0.0004978100000000 ] - [ -0.0002400400000000, -0.0004952600000000, -0.0006643200000000 ] - [ 0.0000538100000000, -0.0008766800000000, -0.0018959200000000 ] - [ 0.0000854900000000, -0.0004323500000000, -0.0001129900000000 ] - [ -0.0000266400000000, -0.0002157200000000, 0.0002788600000000 ] - [ 0.0011338700000000, 0.0016540500000000, 0.0012908100000000 ] - [ -0.0004481700000000, -0.0010253400000000, 0.0005464400000000 ] - [ 0.0001141200000000, -0.0004161000000000, 0.0001590500000000 ] - [ -0.0003867500000000, -0.0028079800000000, 0.0004182200000000 ] - [ 0.0005421600000000, -0.0034735800000000, -0.0002204200000000 ] - [ 0.0001035300000000, -0.0016857900000000, 0.0013070100000000 ] - [ -0.0037325700000000, 0.0068808900000000, 0.0008399800000000 ] - [ -0.0000040400000000, 0.0018285400000000, -0.0006236700000000 ] - [ 0.0004219500000000, -0.0030305500000000, -0.0004152700000000 ] - [ -0.0026446000000000, 0.0104600700000000, 0.0000372200000000 ] - [ 0.0048205600000000, 0.0085776900000000, -0.0013516500000000 ] - [ 0.0003393500000000, -0.0001481800000000, 0.0015257400000000 ] - [ -0.0002170300000000, 0.0017670500000000, 0.0003218000000000 ] - [ -0.0000803300000000, -0.0012796600000000, 0.0002055800000000 ] - [ 0.0001087700000000, -0.0010704900000000, -0.0004765200000000 ] - [ -0.0003013800000000, -0.0005669200000000, -0.0011175800000000 ] - [ 0.0004265600000000, -0.0086705600000000, 0.0053998800000000 ] - [ 0.0032520300000000, 0.0025775900000000, 0.0004453300000000 ] - [ -0.0007977900000000, -0.0006952400000000, -0.0011551300000000 ] - [ -0.0002411500000000, -0.0021269300000000, 0.0002328100000000 ] - [ 0.0003292100000000, -0.0011844600000000, 0.0004534600000000 ] - [ -0.0001432600000000, 0.0009122100000000, -0.0009889700000000 ] - [ -0.0002328400000000, -0.0001617400000000, -0.0004032500000000 ] - [ -0.0009829700000000, -0.0041846300000000, -0.0013177400000000 ] - [ -0.0004565400000000, -0.0001449100000000, 0.0004652500000000 ] - [ -0.0000180100000000, -0.0010978200000000, 0.0000515900000000 ] - [ -0.0000837500000000, 0.0006780000000000, 0.0008716300000000 ] - [ -0.0000335700000000, -0.0012566200000000, 0.0000357300000000 ] - [ -0.0008205700000000, -0.0022837200000000, 0.0000315100000000 ] - [ -0.0000130800000000, -0.0004580700000000, 0.0002702100000000 ] - [ 0.0003282300000000, -0.0001538600000000, -0.0002379300000000 ] - [ -0.0029446300000000, -0.0021915200000000, -0.0001742800000000 ] - [ 0.0007930400000000, -0.0008542400000000, 0.0001702700000000 ] - [ 0.0001434600000000, 0.0009105400000000, 0.0000639100000000 ] - [ 0.0002271300000000, -0.0010110800000000, -0.0009169200000000 ] - [ 0.0000057000000000, 0.0015800300000000, -0.0001257600000000 ] - [ 0.0000859600000000, -0.0003168700000000, -0.0000005500000000 ] - [ 0.0011862300000000, -0.0040003200000000, -0.0001514800000000 ] - [ 0.0000243500000000, -0.0022386600000000, 0.0001050100000000 ] - [ 0.0006577100000000, -0.0006404800000000, -0.0009544700000000 ] - [ -0.0011820700000000, 0.0001164900000000, -0.0024164100000000 ] - [ -0.0000487800000000, -0.0006537300000000, 0.0001137600000000 ] - [ -0.0002533300000000, -0.0008253900000000, -0.0000233600000000 ] - [ -0.0004289100000000, -0.0003352700000000, -0.0007459500000000 ] - [ 0.0004664600000000, -0.0010066500000000, -0.0000605500000000 ] - [ -0.0001327100000000, 0.0005343900000000, 0.0009425000000000 ] - [ -0.0005550100000000, -0.0004122900000000, -0.0000793300000000 ] - [ -0.0004185200000000, 0.0007195200000000, -0.0000160000000000 ] - [ -0.0001798100000000, -0.0010253500000000, 0.0009320400000000 ] - [ -0.0009522900000000, -0.0017881900000000, 0.0049573900000000 ] - [ -0.0579822100000000, 0.0836838100000000, 0.0013666400000000 ] - [ -0.0029649100000000, 0.0005424800000000, -0.0040216500000000 ] - [ -0.0012697800000000, 0.0018695000000000, 0.0046025200000000 ] - [ 0.0006061600000000, -0.0003784100000000, -0.0001789700000000 ] - [ 0.0012260400000000, 0.0016123000000000, 0.0010731700000000 ] - [ 0.0000240900000000, 0.0001069400000000, -0.0000934300000000 ] - [ 0.0001452800000000, 0.0032104300000000, -0.0003072300000000 ] - [ 0.0000571500000000, -0.0008950100000000, 0.0001160600000000 ] - [ -0.0002482600000000, -0.0011910600000000, -0.0001285700000000 ] - [ 0.0705202300000000, -0.1207577200000000, -0.0017055800000000 ] - [ -0.0006307900000000, -0.0002968500000000, 0.0009496300000000 ] - [ -0.0005204400000000, 0.0009022600000000, -0.0008173000000000 ] - [ 0.0259312000000000, -0.0171619000000000, -0.0025457400000000 ] - [ 0.0001174000000000, 0.0013404900000000, 0.0004132800000000 ] - [ 0.0001682600000000, 0.0004473500000000, -0.0001815600000000 ] - [ 0.0015655800000000, 0.0004608300000000, -0.0029932800000000 ] - [ -0.0002484500000000, 0.0004848300000000, 0.0002839200000000 ] - [ 0.0000602200000000, -0.0020000500000000, -0.0024526000000000 ] - [ 0.0003791300000000, -0.0014750600000000, -0.0000499000000000 ] - [ 0.0017119900000000, 0.0038894500000000, 0.0059814400000000 ] - [ -0.0001565300000000, -0.0028624000000000, -0.0000143800000000 ] - [ -0.0001018900000000, 0.0006800300000000, 0.0007255200000000 ] - [ 0.0001927500000000, 0.0005651800000000, 0.0000555700000000 ] - [ 0.0007534800000000, 0.0019295700000000, 0.0004180200000000 ] - [ -0.0056956100000000, 0.0050924000000000, -0.0009663700000000 ] - [ 0.0003392700000000, 0.0018816200000000, 0.0001999800000000 ] - [ -0.0015702000000000, -0.0000956600000000, 0.0004424700000000 ] - [ 0.0009166700000000, 0.0007230600000000, -0.0081621000000000 ] - [ 0.0015324100000000, 0.0005825400000000, -0.0005141000000000 ] - [ -0.0001049100000000, 0.0005900100000000, 0.0002075300000000 ] - [ -0.0007051500000000, -0.0002773500000000, -0.0011482000000000 ] - [ 0.0003943600000000, 0.0016678600000000, -0.0002666100000000 ] - [ 0.0001764300000000, 0.0017564300000000, 0.0002233600000000 ] - [ 0.0002243700000000, 0.0003786200000000, -0.0001564700000000 ] - [ -0.0009592500000000, 0.0013045600000000, 0.0007177400000000 ] - [ -0.0008510200000000, 0.0000065400000000, -0.0025991600000000 ] - [ -0.0001902700000000, 0.0000957500000000, 0.0002812500000000 ] - [ 0.0000239200000000, 0.0000844100000000, 0.0002620800000000 ] - [ -0.0002302100000000, -0.0004483200000000, -0.0000909900000000 ] - [ -0.0006967300000000, -0.0019945500000000, -0.0000009000000000 ] - [ 0.0007430100000000, -0.0004146400000000, 0.0005655900000000 ] - [ 0.0003613500000000, 0.0013327300000000, -0.0010453900000000 ] - [ -0.0000961700000000, 0.0010352800000000, 0.0000583300000000 ] - [ -0.0005435300000000, 0.0004764500000000, 0.0006010900000000 ] - [ 0.0012370900000000, 0.0006179200000000, 0.0018350300000000 ] - [ 0.0021994100000000, 0.0006914300000000, 0.0015823600000000 ] - [ 0.0002417800000000, 0.0008827000000000, 0.0001633500000000 ] - [ -0.0002810700000000, -0.0016775000000000, -0.0000825900000000 ] - [ 0.0001042100000000, 0.0019650600000000, -0.0000218800000000 ] - [ -0.0003728400000000, 0.0017007400000000, -0.0000556900000000 ] - [ -0.0000548300000000, -0.0001566200000000, 0.0000976500000000 ] - [ 0.0010695500000000, -0.0024962100000000, 0.0000824300000000 ] - [ -0.0005191000000000, -0.0050184200000000, -0.0003823400000000 ] - [ -0.0001360500000000, -0.0006577300000000, -0.0001869500000000 ] - [ 0.0001654200000000, 0.0004912800000000, 0.0000851300000000 ] - [ -0.0437910300000000, 0.0213808200000000, -0.0018779700000000 ] - [ 0.0000285000000000, 0.0008568300000000, 0.0003271000000000 ] - [ 0.0081403400000000, 0.0045258500000000, 0.0009155000000000 ] - [ 0.0012889700000000, 0.0034009700000000, 0.0002014000000000 ] - [ 0.0027602700000000, -0.0003562100000000, -0.0045062500000000 ] - [ -0.0000748700000000, 0.0003454200000000, 0.0004562900000000 ] - [ -0.0001542700000000, 0.0006935200000000, -0.0000495400000000 ] - [ 0.0000929500000000, 0.0008056300000000, 0.0002656700000000 ] - [ -0.0010898700000000, 0.0010961400000000, -0.0000963900000000 ] - [ 0.0000199800000000, 0.0022836700000000, -0.0002399400000000 ] - [ 0.0005639100000000, -0.0003371500000000, -0.0000786700000000 ] - [ 0.0002837700000000, 0.0005116200000000, -0.0006868200000000 ] - [ 0.0000414700000000, 0.0001606600000000, -0.0002388200000000 ] - [ -0.0002976500000000, 0.0004461500000000, 0.0000495700000000 ] - [ 0.0000276700000000, -0.0018619400000000, 0.0003245800000000 ] - [ 0.0004012800000000, 0.0009677200000000, 0.0004711300000000 ] - [ -0.0001160300000000, -0.0007775100000000, -0.0004280500000000 ] - [ -0.0004624800000000, 0.0008423700000000, -0.0000356900000000 ] - [ -0.0001335000000000, 0.0011573800000000, 0.0001928200000000 ] - [ 0.0017878900000000, 0.0012139200000000, -0.0016986600000000 ] - [ 0.0000567800000000, 0.0008245400000000, 0.0000694500000000 ] - [ -0.0006779200000000, -0.0003519700000000, -0.0000066900000000 ] - [ -0.0002416500000000, 0.0003792100000000, -0.0000375000000000 ] - [ 0.0002498600000000, -0.0004582200000000, 0.0005007500000000 ] - [ 0.0000284700000000, -0.0015227300000000, 0.0004660400000000 ] - [ 0.0006287300000000, -0.0012695000000000, 0.0024112800000000 ] - [ 0.0019101200000000, -0.0003974300000000, 0.0059935600000000 ] - [ -0.0003092400000000, 0.0018818800000000, 0.0003559500000000 ] - [ 0.0000633200000000, 0.0005837700000000, -0.0003004400000000 ] - [ -0.0008428200000000, 0.0036690900000000, 0.0004731900000000 ] - [ 0.0000250300000000, 0.0005799900000000, 0.0000791200000000 ] - [ 0.0001340500000000, 0.0007145000000000, -0.0002598900000000 ] - [ 0.0001216400000000, 0.0005571100000000, -0.0002094100000000 ] - [ 0.0002474300000000, 0.0002622400000000, -0.0001452300000000 ] - [ -0.0000064000000000, 0.0006619100000000, 0.0001078200000000 ] - [ -0.0000195200000000, 0.0008395100000000, 0.0002320000000000 ] - [ -0.0000012900000000, 0.0019238600000000, -0.0000676700000000 ] - [ 0.0002255600000000, 0.0006432000000000, -0.0004087000000000 ] - [ -0.0005628000000000, 0.0005662900000000, -0.0000007200000000 ] - [ -0.0001808500000000, 0.0007582500000000, 0.0006413300000000 ] - [ 0.0001874900000000, -0.0008804000000000, 0.0031051300000000 ] - [ 0.0014092600000000, 0.0030957100000000, -0.0002832600000000 ] - [ -0.0000217200000000, -0.0014012400000000, -0.0000239600000000 ] - [ 0.0003639200000000, 0.0001108900000000, -0.0001726600000000 ] - [ -0.0025649200000000, 0.0025011900000000, -0.0001967000000000 ] - [ 0.0003446700000000, -0.0001186800000000, -0.0005553200000000 ] - [ -0.0000597700000000, -0.0008540200000000, -0.0000398100000000 ] - [ -0.0006831600000000, -0.0007145300000000, -0.0012780100000000 ] - [ 0.0001251300000000, 0.0000303200000000, -0.0000406000000000 ] - [ -0.0018229100000000, -0.0000175400000000, -0.0024619800000000 ]- atom: 81 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000228900000000, 0.0006436100000000, 0.0000303300000000 ] - [ 0.0000286300000000, -0.0005751200000000, 0.0002188400000000 ] - [ 0.0001516100000000, 0.0001704500000000, -0.0003014300000000 ] - [ 0.0000271200000000, 0.0002410100000000, 0.0000891100000000 ] - [ -0.0001238500000000, -0.0014172100000000, -0.0003104100000000 ] - [ 0.0008295500000000, -0.0009385100000000, -0.0006853100000000 ] - [ -0.0002102400000000, -0.0011983400000000, -0.0005479900000000 ] - [ 0.0003965200000000, 0.0005646100000000, 0.0003364300000000 ] - [ 0.0000496600000000, 0.0005263200000000, -0.0000256500000000 ] - [ -0.0007519400000000, -0.0026646700000000, 0.0003644800000000 ] - [ 0.0001431700000000, 0.0010646000000000, 0.0000642500000000 ] - [ 0.0000589800000000, 0.0004753200000000, 0.0000891400000000 ] - [ 0.0004349600000000, 0.0001378800000000, 0.0004008300000000 ] - [ 0.0000106200000000, 0.0007303900000000, 0.0000352300000000 ] - [ -0.0001017100000000, -0.0015513100000000, -0.0000064800000000 ] - [ -0.0001123900000000, 0.0003497300000000, -0.0004070800000000 ] - [ 0.0007836700000000, -0.0011041200000000, 0.0004532900000000 ] - [ -0.0006270300000000, 0.0001593300000000, 0.0004429500000000 ] - [ -0.0009231900000000, 0.0012026000000000, 0.0016719600000000 ] - [ 0.0000429500000000, 0.0008694200000000, 0.0001664600000000 ] - [ 0.0006457600000000, 0.0002235900000000, -0.0004258600000000 ] - [ -0.0012242500000000, -0.0009785200000000, -0.0015671400000000 ] - [ -0.0001716900000000, 0.0010267400000000, -0.0003955200000000 ] - [ 0.0000756900000000, 0.0006272900000000, 0.0000271300000000 ] - [ 0.0009119600000000, 0.0024770200000000, 0.0005005300000000 ] - [ -0.0004757300000000, 0.0029890700000000, 0.0005081400000000 ] - [ -0.0004712200000000, 0.0006560200000000, -0.0006354800000000 ] - [ 0.0035433400000000, -0.0059253300000000, -0.0020175200000000 ] - [ -0.0000649100000000, -0.0013499000000000, 0.0003374600000000 ] - [ -0.0002326000000000, 0.0033238600000000, -0.0004583500000000 ] - [ 0.0019721500000000, -0.0105466700000000, 0.0006615300000000 ] - [ -0.0046063400000000, -0.0082701600000000, 0.0014155900000000 ] - [ -0.0007093300000000, 0.0011660600000000, -0.0008558400000000 ] - [ -0.0003081100000000, -0.0014413500000000, -0.0012373000000000 ] - [ -0.0000369700000000, 0.0008988300000000, -0.0002920200000000 ] - [ 0.0000768600000000, 0.0007502800000000, -0.0003951500000000 ] - [ 0.0006966600000000, 0.0007513400000000, 0.0010280700000000 ] - [ -0.0000589500000000, 0.0076031800000000, -0.0060505900000000 ] - [ -0.0032918400000000, -0.0030316400000000, -0.0007366500000000 ] - [ 0.0012039500000000, 0.0005117800000000, 0.0010710400000000 ] - [ 0.0001220800000000, 0.0024886900000000, -0.0003193900000000 ] - [ 0.0001949700000000, 0.0014976700000000, 0.0004676200000000 ] - [ 0.0002605000000000, -0.0012783400000000, 0.0010759700000000 ] - [ -0.0001664000000000, 0.0003385900000000, 0.0004867700000000 ] - [ 0.0005752300000000, 0.0039743500000000, 0.0013855500000000 ] - [ 0.0008242300000000, 0.0011693900000000, -0.0011228900000000 ] - [ 0.0000869000000000, 0.0015642600000000, 0.0002371200000000 ] - [ -0.0001037200000000, -0.0009854400000000, 0.0000068100000000 ] - [ -0.0002821400000000, 0.0007742700000000, -0.0000892500000000 ] - [ 0.0008929500000000, 0.0026769400000000, 0.0001365500000000 ] - [ 0.0004645800000000, 0.0005250000000000, -0.0009579600000000 ] - [ -0.0000342500000000, 0.0000209700000000, 0.0007792200000000 ] - [ 0.0033424200000000, 0.0028385800000000, -0.0000633300000000 ] - [ -0.0012102200000000, 0.0015056600000000, 0.0000725200000000 ] - [ 0.0001720400000000, -0.0013799300000000, -0.0000097100000000 ] - [ 0.0000757400000000, 0.0002270100000000, 0.0004606100000000 ] - [ 0.0000278500000000, -0.0009602900000000, -0.0000899800000000 ] - [ 0.0003340300000000, -0.0003479600000000, -0.0002371700000000 ] - [ -0.0012436500000000, 0.0043759400000000, -0.0000175200000000 ] - [ -0.0000564300000000, 0.0016154300000000, 0.0001111400000000 ] - [ -0.0009470500000000, 0.0007693400000000, 0.0004057200000000 ] - [ 0.0014549100000000, 0.0000144600000000, 0.0029479000000000 ] - [ 0.0000153200000000, 0.0012606800000000, 0.0001027600000000 ] - [ -0.0001673000000000, 0.0001627100000000, 0.0002623200000000 ] - [ 0.0001338600000000, 0.0002003300000000, 0.0002015700000000 ] - [ -0.0002122500000000, 0.0007437100000000, -0.0000795700000000 ] - [ -0.0001202700000000, -0.0002710000000000, -0.0007934700000000 ] - [ 0.0008519600000000, 0.0011896300000000, -0.0003771700000000 ] - [ 0.0001207800000000, 0.0000499700000000, 0.0004588400000000 ] - [ 0.0004305100000000, 0.0012779400000000, -0.0010718700000000 ] - [ 0.0004957200000000, 0.0017028700000000, -0.0042310900000000 ] - [ 0.0593230600000000, -0.0825427400000000, -0.0013530800000000 ] - [ 0.0026418200000000, -0.0013053500000000, 0.0044441900000000 ] - [ 0.0008094900000000, -0.0018073400000000, -0.0038933300000000 ] - [ -0.0001520900000000, 0.0003050200000000, -0.0005169000000000 ] - [ -0.0014790200000000, -0.0018797400000000, -0.0009180700000000 ] - [ -0.0000950000000000, -0.0005045300000000, -0.0000752800000000 ] - [ -0.0001005800000000, -0.0038314100000000, 0.0000861700000000 ] - [ 0.0000141500000000, 0.0004957900000000, 0.0000526900000000 ] - [ -0.0000687600000000, 0.0016604100000000, 0.0000740900000000 ] - [ -0.0711618200000000, 0.1203397300000000, 0.0021560000000000 ] - [ 0.0004935200000000, 0.0002730600000000, -0.0001124400000000 ] - [ -0.0000317500000000, -0.0010671600000000, 0.0012870600000000 ] - [ -0.0265335100000000, 0.0176972000000000, 0.0023318800000000 ] - [ -0.0000496600000000, -0.0014574100000000, 0.0002505500000000 ] - [ 0.0003184400000000, -0.0003744300000000, 0.0003969800000000 ] - [ -0.0010656900000000, -0.0005612900000000, 0.0027422900000000 ] - [ -0.0003148700000000, -0.0003951100000000, -0.0004910300000000 ] - [ -0.0004494000000000, 0.0019278000000000, 0.0028577400000000 ] - [ 0.0000950200000000, 0.0006656700000000, 0.0001146500000000 ] - [ -0.0014708000000000, -0.0037259600000000, -0.0056389000000000 ] - [ -0.0001496700000000, 0.0039454800000000, 0.0003671200000000 ] - [ -0.0003793500000000, -0.0001673900000000, 0.0001087300000000 ] - [ 0.0003767500000000, -0.0005903000000000, 0.0005138900000000 ] - [ -0.0008989700000000, -0.0030948400000000, -0.0000781300000000 ] - [ 0.0058545700000000, -0.0061647600000000, 0.0005911900000000 ] - [ -0.0000716400000000, -0.0010951600000000, 0.0000441500000000 ] - [ 0.0017157700000000, -0.0010677000000000, -0.0007801700000000 ] - [ -0.0012938100000000, -0.0006728200000000, 0.0084935000000000 ] - [ -0.0019069000000000, 0.0002802500000000, 0.0004512500000000 ] - [ 0.0002352800000000, -0.0005686700000000, -0.0010338800000000 ] - [ 0.0001303700000000, 0.0003016800000000, 0.0005695600000000 ] - [ 0.0001779400000000, -0.0016331200000000, 0.0008390500000000 ] - [ -0.0003964600000000, -0.0028806500000000, 0.0001452100000000 ] - [ 0.0000512300000000, -0.0014589000000000, -0.0001913200000000 ] - [ 0.0007174200000000, -0.0012075400000000, -0.0005179700000000 ] - [ 0.0003602200000000, 0.0000652500000000, 0.0023646800000000 ] - [ 0.0006723600000000, 0.0004115000000000, -0.0011148000000000 ] - [ 0.0002119900000000, -0.0001767000000000, -0.0004561100000000 ] - [ -0.0001031100000000, 0.0009849100000000, 0.0006723900000000 ] - [ 0.0003513400000000, 0.0014603200000000, 0.0005747500000000 ] - [ -0.0001817200000000, 0.0003308300000000, -0.0003558500000000 ] - [ -0.0000284700000000, -0.0007878100000000, 0.0004591300000000 ] - [ 0.0001634300000000, -0.0009055600000000, 0.0006034800000000 ] - [ 0.0000607000000000, -0.0009840800000000, 0.0002371900000000 ] - [ -0.0009913400000000, -0.0005292900000000, -0.0020382200000000 ] - [ -0.0016188900000000, -0.0006047600000000, -0.0013655700000000 ] - [ 0.0000836900000000, -0.0007401400000000, 0.0001693600000000 ] - [ 0.0000103800000000, 0.0008919400000000, -0.0001612300000000 ] - [ 0.0002219000000000, -0.0020957200000000, 0.0003533500000000 ] - [ -0.0001015900000000, -0.0008918600000000, -0.0000097900000000 ] - [ -0.0002195500000000, -0.0000821300000000, 0.0002337600000000 ] - [ -0.0014273300000000, 0.0023558300000000, -0.0004126600000000 ] - [ 0.0007064000000000, 0.0053478000000000, 0.0004888500000000 ] - [ -0.0002501800000000, -0.0002080000000000, 0.0001253800000000 ] - [ -0.0003945300000000, -0.0006270100000000, -0.0003657900000000 ] - [ 0.0442414800000000, -0.0216272500000000, 0.0012408600000000 ] - [ -0.0002592800000000, -0.0007169500000000, -0.0006088300000000 ] - [ -0.0070993400000000, -0.0043523400000000, -0.0007765800000000 ] - [ -0.0003103900000000, -0.0028133200000000, -0.0003308100000000 ] - [ -0.0032384300000000, 0.0003046400000000, 0.0042985400000000 ] - [ -0.0001592100000000, -0.0004311800000000, -0.0002621200000000 ] - [ -0.0000629100000000, -0.0010209000000000, -0.0000676600000000 ] - [ 0.0000588600000000, 0.0003695800000000, -0.0006034900000000 ] - [ 0.0001433900000000, -0.0009480200000000, -0.0000274900000000 ] - [ 0.0002595800000000, -0.0011889000000000, -0.0001088300000000 ] - [ 0.0003786700000000, 0.0001943200000000, 0.0002005800000000 ] - [ 0.0001095900000000, -0.0005757100000000, 0.0002655600000000 ] - [ 0.0001780500000000, 0.0009676400000000, -0.0001296100000000 ] - [ -0.0006405600000000, -0.0005852300000000, -0.0001720900000000 ] - [ -0.0003056300000000, 0.0007678100000000, 0.0000228000000000 ] - [ -0.0009619300000000, -0.0010520600000000, -0.0006742900000000 ] - [ 0.0000477500000000, 0.0008952100000000, -0.0002367000000000 ] - [ -0.0000913600000000, -0.0006675300000000, 0.0005071100000000 ] - [ -0.0000860600000000, -0.0000306300000000, 0.0001751300000000 ] - [ -0.0012869000000000, -0.0011023300000000, 0.0014363000000000 ] - [ -0.0002885600000000, -0.0009548900000000, 0.0003567900000000 ] - [ -0.0002882300000000, -0.0002349700000000, 0.0001377800000000 ] - [ -0.0002306900000000, -0.0011785000000000, -0.0000278700000000 ] - [ -0.0000212400000000, 0.0003225200000000, -0.0002139900000000 ] - [ 0.0001928500000000, 0.0013976600000000, -0.0008674100000000 ] - [ -0.0003942800000000, 0.0013816200000000, -0.0028225500000000 ] - [ -0.0014068700000000, -0.0000920400000000, -0.0068243100000000 ] - [ 0.0006974800000000, -0.0010081600000000, -0.0002963600000000 ] - [ -0.0005518400000000, -0.0006885200000000, 0.0005504800000000 ] - [ 0.0005525900000000, -0.0034009600000000, -0.0001371300000000 ] - [ 0.0002429800000000, -0.0013546500000000, 0.0001637200000000 ] - [ 0.0003544300000000, -0.0007805400000000, 0.0004745600000000 ] - [ 0.0002103800000000, -0.0010943800000000, -0.0003755800000000 ] - [ 0.0000291800000000, -0.0005012400000000, -0.0001869800000000 ] - [ 0.0001387300000000, -0.0006775400000000, -0.0009402700000000 ] - [ -0.0001317100000000, 0.0003418800000000, 0.0001061500000000 ] - [ -0.0002163200000000, -0.0015837400000000, -0.0000487600000000 ] - [ 0.0001665500000000, -0.0005745700000000, -0.0000064100000000 ] - [ 0.0000716600000000, -0.0004566300000000, 0.0002535300000000 ] - [ -0.0000528900000000, -0.0006206500000000, -0.0002141700000000 ] - [ -0.0003158600000000, 0.0008966800000000, -0.0022697800000000 ] - [ -0.0011331600000000, -0.0028515500000000, -0.0000495400000000 ] - [ 0.0002401200000000, 0.0010617000000000, 0.0001392700000000 ] - [ 0.0005997700000000, -0.0006977800000000, 0.0000397200000000 ] - [ 0.0015833500000000, -0.0019001800000000, 0.0003269800000000 ] - [ 0.0002075500000000, -0.0000550800000000, 0.0000795800000000 ] - [ -0.0002650600000000, 0.0009862600000000, -0.0002926300000000 ] - [ 0.0001103200000000, 0.0006876800000000, 0.0006931800000000 ] - [ 0.0002620600000000, -0.0008954800000000, 0.0000992000000000 ] - [ 0.0023732300000000, 0.0001971700000000, 0.0019850500000000 ]- atom: 81 displacement: [ -0.0035230240541542, 0.0000000000000000, 0.0093588621911988 ] forces: - [ 0.0001110700000000, -0.0001215000000000, 0.0001691500000000 ] - [ -0.0001644700000000, 0.0002645200000000, -0.0003104000000000 ] - [ 0.0002126000000000, 0.0000952900000000, -0.0002288700000000 ] - [ 0.0000394700000000, -0.0003216100000000, 0.0000929600000000 ] - [ 0.0011428600000000, -0.0003185400000000, -0.0005538400000000 ] - [ 0.0006216500000000, 0.0003781800000000, -0.0007288600000000 ] - [ -0.0011362900000000, 0.0005094700000000, -0.0013665700000000 ] - [ 0.0005154600000000, 0.0000725500000000, 0.0002491500000000 ] - [ 0.0000426900000000, -0.0000450100000000, -0.0000522900000000 ] - [ -0.0005017500000000, -0.0002763700000000, 0.0018957800000000 ] - [ 0.0000359200000000, 0.0003979300000000, 0.0001864400000000 ] - [ 0.0000714800000000, -0.0002742600000000, 0.0000165600000000 ] - [ 0.0003731700000000, -0.0003157100000000, -0.0000576300000000 ] - [ 0.0000215500000000, 0.0000388700000000, -0.0000511200000000 ] - [ 0.0003253300000000, -0.0001005500000000, -0.0012962300000000 ] - [ -0.0003006900000000, 0.0005125500000000, -0.0002823600000000 ] - [ 0.0004244500000000, 0.0004369800000000, 0.0009455100000000 ] - [ -0.0004630700000000, -0.0006546400000000, -0.0003964200000000 ] - [ -0.0001520900000000, -0.0008006100000000, -0.0004943400000000 ] - [ 0.0000556600000000, 0.0002000200000000, 0.0000212000000000 ] - [ 0.0010382500000000, 0.0003438900000000, 0.0001120400000000 ] - [ -0.0014737400000000, 0.0010404800000000, -0.0010493400000000 ] - [ -0.0003502600000000, 0.0003635800000000, 0.0000810100000000 ] - [ 0.0000984400000000, 0.0001111000000000, 0.0000372600000000 ] - [ 0.0004798300000000, -0.0000997000000000, 0.0007292600000000 ] - [ -0.0002157500000000, -0.0002995700000000, 0.0003933400000000 ] - [ 0.0000507600000000, -0.0003259700000000, 0.0003319300000000 ] - [ -0.0082471600000000, 0.0003040200000000, 0.0107757100000000 ] - [ 0.0000112500000000, 0.0003698700000000, -0.0011758100000000 ] - [ 0.0000036500000000, 0.0002533600000000, -0.0001879100000000 ] - [ -0.0014921000000000, 0.0026812700000000, 0.0136051400000000 ] - [ 0.0052897700000000, -0.0034157900000000, -0.0011198500000000 ] - [ -0.0002359200000000, 0.0003568600000000, 0.0004288600000000 ] - [ 0.0001303000000000, 0.0003815400000000, -0.0031836000000000 ] - [ -0.0001285600000000, -0.0001256000000000, -0.0002331900000000 ] - [ 0.0002041600000000, -0.0000727300000000, -0.0007774100000000 ] - [ 0.0001422800000000, -0.0002576300000000, -0.0002960500000000 ] - [ -0.0032306100000000, -0.0010479400000000, 0.0028617200000000 ] - [ 0.0013693300000000, -0.0008157900000000, 0.0013157200000000 ] - [ 0.0004822000000000, -0.0004909300000000, 0.0003176600000000 ] - [ -0.0000348400000000, 0.0003834200000000, 0.0000811300000000 ] - [ 0.0002328800000000, 0.0001093300000000, 0.0002998400000000 ] - [ -0.0003449000000000, -0.0004177800000000, -0.0012809100000000 ] - [ -0.0001218300000000, -0.0000312800000000, -0.0006181800000000 ] - [ -0.0007677700000000, -0.0004580200000000, 0.0011182600000000 ] - [ 0.0005994000000000, 0.0007114700000000, -0.0010685900000000 ] - [ 0.0000588700000000, 0.0002105600000000, -0.0000710900000000 ] - [ 0.0003557200000000, -0.0002896100000000, -0.0011261700000000 ] - [ -0.0001477100000000, -0.0002473600000000, -0.0000448200000000 ] - [ -0.0002591400000000, 0.0004838000000000, 0.0002516600000000 ] - [ 0.0002362700000000, 0.0000904800000000, -0.0004514600000000 ] - [ 0.0012052400000000, -0.0006080300000000, 0.0004972200000000 ] - [ 0.0011869700000000, 0.0012967600000000, 0.0000713600000000 ] - [ -0.0001057900000000, -0.0005360300000000, 0.0005004900000000 ] - [ 0.0003876900000000, -0.0005345100000000, -0.0002456200000000 ] - [ 0.0002245100000000, -0.0005052000000000, -0.0003145600000000 ] - [ -0.0000948100000000, 0.0003173400000000, -0.0001540900000000 ] - [ -0.0001553800000000, -0.0000210900000000, -0.0002968200000000 ] - [ -0.0004675900000000, -0.0003899900000000, -0.0002256700000000 ] - [ -0.0000589700000000, -0.0002941300000000, 0.0001162300000000 ] - [ -0.0000553400000000, -0.0000077000000000, -0.0002383100000000 ] - [ -0.0029892400000000, -0.0005444600000000, -0.0015358300000000 ] - [ 0.0000051900000000, 0.0003648400000000, 0.0000936200000000 ] - [ -0.0001410600000000, -0.0006057700000000, -0.0000353300000000 ] - [ -0.0002113900000000, -0.0001574000000000, -0.0003602900000000 ] - [ 0.0000685100000000, -0.0000161700000000, -0.0001672100000000 ] - [ -0.0001120400000000, 0.0001419300000000, -0.0000608400000000 ] - [ 0.0000838200000000, 0.0002863000000000, -0.0001035800000000 ] - [ 0.0000673300000000, -0.0005683000000000, -0.0009809600000000 ] - [ 0.0001512700000000, 0.0002750300000000, 0.0000288300000000 ] - [ 0.0000644800000000, 0.0006335300000000, -0.0020841400000000 ] - [ -0.0985427500000000, 0.0231361700000000, 0.0517419000000000 ] - [ -0.0016647900000000, -0.0015911000000000, 0.0002416000000000 ] - [ -0.0012853500000000, 0.0016902800000000, -0.0043043100000000 ] - [ 0.0003111100000000, 0.0000363500000000, -0.0002572800000000 ] - [ -0.0001764800000000, -0.0006494200000000, 0.0012502900000000 ] - [ 0.0002618400000000, -0.0000899800000000, -0.0002117300000000 ] - [ 0.0019521700000000, -0.0003713200000000, -0.0003277300000000 ] - [ 0.0000323300000000, -0.0002422800000000, 0.0000415400000000 ] - [ -0.0001221600000000, 0.0002775800000000, -0.0000102600000000 ] - [ 0.1442987300000000, -0.0262864700000000, -0.0476712400000000 ] - [ -0.0010958500000000, 0.0004653500000000, -0.0001653600000000 ] - [ -0.0000057200000000, -0.0002600800000000, 0.0000726700000000 ] - [ -0.0297091600000000, -0.0060634700000000, -0.0141845400000000 ] - [ -0.0000103300000000, -0.0001229500000000, 0.0002793200000000 ] - [ 0.0000939300000000, -0.0000867200000000, 0.0001550100000000 ] - [ 0.0021867800000000, -0.0033800000000000, 0.0002990100000000 ] - [ -0.0003276100000000, 0.0001704100000000, -0.0000020600000000 ] - [ -0.0004140300000000, -0.0002066400000000, 0.0032273400000000 ] - [ -0.0000172500000000, -0.0002735200000000, 0.0005537000000000 ] - [ 0.0017221300000000, 0.0024871800000000, -0.0011630400000000 ] - [ -0.0020502500000000, 0.0005595000000000, 0.0003430900000000 ] - [ -0.0002361600000000, 0.0003019900000000, 0.0005465200000000 ] - [ 0.0002875300000000, -0.0000906400000000, 0.0004594900000000 ] - [ -0.0002051700000000, -0.0012383000000000, -0.0001731200000000 ] - [ 0.0013899000000000, 0.0006415500000000, -0.0019124500000000 ] - [ 0.0000896700000000, 0.0003641900000000, 0.0000851300000000 ] - [ -0.0001811600000000, 0.0007227400000000, -0.0001062100000000 ] - [ -0.0004051200000000, -0.0021970600000000, 0.0024643500000000 ] - [ -0.0009412800000000, 0.0002604600000000, -0.0000852500000000 ] - [ 0.0000467900000000, 0.0000696500000000, -0.0003821500000000 ] - [ -0.0002564000000000, -0.0000232200000000, -0.0004292800000000 ] - [ 0.0004549100000000, 0.0000684900000000, 0.0000740300000000 ] - [ -0.0000301300000000, -0.0006755800000000, 0.0001501400000000 ] - [ 0.0001384000000000, -0.0005603600000000, -0.0001388900000000 ] - [ -0.0001249700000000, 0.0002074000000000, -0.0000297700000000 ] - [ -0.0000453100000000, -0.0001497400000000, 0.0013712200000000 ] - [ -0.0011334700000000, 0.0011694700000000, 0.0005810700000000 ] - [ -0.0006131200000000, 0.0003148100000000, 0.0000168000000000 ] - [ 0.0000433500000000, 0.0002003900000000, 0.0007518200000000 ] - [ -0.0012782500000000, 0.0004345700000000, -0.0011741300000000 ] - [ 0.0000309000000000, 0.0004310200000000, 0.0004319000000000 ] - [ 0.0001957500000000, 0.0002096300000000, -0.0002728100000000 ] - [ 0.0000451600000000, 0.0000858200000000, 0.0003800100000000 ] - [ -0.0002632600000000, -0.0002250900000000, 0.0003124500000000 ] - [ 0.0017314100000000, 0.0007174000000000, -0.0008910500000000 ] - [ 0.0013828900000000, 0.0005842200000000, -0.0000575600000000 ] - [ 0.0001565000000000, 0.0000189400000000, 0.0003218300000000 ] - [ -0.0001876100000000, -0.0001550700000000, 0.0003987000000000 ] - [ 0.0001977600000000, -0.0000594200000000, 0.0000275400000000 ] - [ -0.0002554300000000, 0.0003752400000000, -0.0000644200000000 ] - [ -0.0003162600000000, -0.0002429100000000, 0.0005000000000000 ] - [ -0.0013936300000000, -0.0001515700000000, -0.0004619800000000 ] - [ -0.0019450800000000, 0.0002811200000000, -0.0020281100000000 ] - [ 0.0001261200000000, -0.0005061600000000, 0.0001865400000000 ] - [ -0.0001110900000000, 0.0000380000000000, -0.0001444500000000 ] - [ -0.0054945800000000, 0.0107315700000000, -0.0149049500000000 ] - [ -0.0001518500000000, 0.0001900300000000, -0.0002005600000000 ] - [ -0.0009499400000000, -0.0017415500000000, -0.0004212100000000 ] - [ 0.0011323200000000, 0.0002906500000000, -0.0006752800000000 ] - [ -0.0046517000000000, -0.0053147600000000, 0.0026662100000000 ] - [ -0.0001422900000000, 0.0000766400000000, 0.0002980500000000 ] - [ -0.0001284400000000, -0.0001866400000000, -0.0000051800000000 ] - [ 0.0001181700000000, 0.0008828000000000, 0.0000477000000000 ] - [ -0.0008336000000000, 0.0004221300000000, -0.0002759300000000 ] - [ 0.0001808400000000, 0.0005446600000000, -0.0002123800000000 ] - [ 0.0007428000000000, -0.0003807100000000, 0.0006160100000000 ] - [ 0.0001902100000000, -0.0000615500000000, -0.0000647400000000 ] - [ -0.0003396900000000, 0.0004780700000000, 0.0002369900000000 ] - [ -0.0004178600000000, 0.0000701800000000, 0.0000329500000000 ] - [ 0.0001461800000000, -0.0006489800000000, 0.0004810500000000 ] - [ -0.0002243700000000, 0.0000815100000000, -0.0001647000000000 ] - [ -0.0001409700000000, 0.0003668800000000, 0.0000547200000000 ] - [ -0.0003231800000000, -0.0000530600000000, 0.0003097800000000 ] - [ -0.0001049700000000, 0.0005994700000000, 0.0002159100000000 ] - [ -0.0006084900000000, -0.0006638900000000, 0.0008066700000000 ] - [ -0.0000998700000000, -0.0000365100000000, 0.0000485900000000 ] - [ -0.0006782000000000, -0.0003374600000000, 0.0001539400000000 ] - [ -0.0002511900000000, -0.0004030100000000, 0.0000053400000000 ] - [ 0.0000558300000000, 0.0000790700000000, 0.0013100600000000 ] - [ -0.0005494000000000, 0.0006090000000000, 0.0011345500000000 ] - [ 0.0011406200000000, 0.0012468200000000, 0.0007302900000000 ] - [ 0.0048543600000000, 0.0045617600000000, 0.0047588400000000 ] - [ 0.0004756300000000, 0.0007229700000000, -0.0002905900000000 ] - [ -0.0002994400000000, -0.0001250100000000, 0.0001659300000000 ] - [ 0.0004574100000000, -0.0002478500000000, -0.0001326000000000 ] - [ 0.0001414700000000, -0.0003797600000000, 0.0001528900000000 ] - [ 0.0003045800000000, -0.0000978500000000, 0.0001041500000000 ] - [ 0.0001676400000000, -0.0003224600000000, -0.0002955400000000 ] - [ 0.0001703700000000, -0.0000659800000000, 0.0000112200000000 ] - [ 0.0001059800000000, 0.0001028600000000, -0.0004363900000000 ] - [ -0.0000192900000000, 0.0003921900000000, 0.0003525500000000 ] - [ -0.0000708600000000, 0.0001536000000000, -0.0001066900000000 ] - [ 0.0001412500000000, -0.0000576500000000, -0.0003640100000000 ] - [ -0.0003958800000000, 0.0000073100000000, 0.0001720300000000 ] - [ -0.0001337500000000, 0.0001218100000000, 0.0003470300000000 ] - [ 0.0005802200000000, -0.0000442000000000, 0.0023325900000000 ] - [ 0.0000272500000000, -0.0002468600000000, -0.0006240300000000 ] - [ 0.0000501900000000, -0.0002565000000000, 0.0003351500000000 ] - [ 0.0004860100000000, -0.0002332500000000, 0.0001950300000000 ] - [ -0.0004669500000000, 0.0004628500000000, 0.0000463900000000 ] - [ 0.0002125200000000, -0.0001221900000000, -0.0001160800000000 ] - [ -0.0000566700000000, 0.0000775600000000, 0.0000104200000000 ] - [ -0.0005185600000000, 0.0000043200000000, -0.0008286700000000 ] - [ 0.0000683700000000, -0.0003814700000000, 0.0002217100000000 ] - [ 0.0002089000000000, 0.0007077800000000, -0.0011695400000000 ]- atom: 81 displacement: [ 0.0035230240541542, 0.0000000000000000, -0.0093588621911988 ] forces: - [ 0.0000793300000000, -0.0000939700000000, 0.0000163500000000 ] - [ 0.0000379900000000, 0.0001766300000000, 0.0002521900000000 ] - [ 0.0004037600000000, -0.0001059500000000, 0.0000821400000000 ] - [ 0.0000527000000000, -0.0003444300000000, 0.0001860000000000 ] - [ -0.0012261200000000, -0.0003436400000000, 0.0002726000000000 ] - [ -0.0008107900000000, -0.0005864200000000, 0.0005373500000000 ] - [ 0.0009374100000000, -0.0002895100000000, 0.0011694500000000 ] - [ 0.0003529800000000, 0.0002617600000000, -0.0000301600000000 ] - [ 0.0000163400000000, -0.0000596700000000, -0.0000613600000000 ] - [ 0.0003188500000000, 0.0005015500000000, -0.0015718700000000 ] - [ 0.0000554700000000, 0.0002666800000000, 0.0000938300000000 ] - [ 0.0000558600000000, -0.0001673900000000, 0.0000384200000000 ] - [ 0.0004950900000000, -0.0000196100000000, 0.0002742600000000 ] - [ 0.0000373800000000, 0.0000640000000000, -0.0000633800000000 ] - [ -0.0003877400000000, -0.0000015200000000, 0.0014149000000000 ] - [ -0.0003160200000000, -0.0005191000000000, 0.0004266500000000 ] - [ -0.0005485500000000, -0.0008719900000000, -0.0009920000000000 ] - [ -0.0004059000000000, 0.0003134400000000, 0.0001766300000000 ] - [ -0.0007200600000000, 0.0011351800000000, 0.0002671700000000 ] - [ 0.0000717200000000, 0.0002386900000000, 0.0000347300000000 ] - [ -0.0004182900000000, -0.0003326300000000, -0.0002544600000000 ] - [ 0.0013886000000000, -0.0003770100000000, 0.0007697900000000 ] - [ -0.0002663500000000, -0.0003540000000000, 0.0000635400000000 ] - [ 0.0000916800000000, 0.0001016900000000, 0.0001466600000000 ] - [ 0.0000448700000000, -0.0002267300000000, 0.0001925700000000 ] - [ 0.0002842100000000, -0.0001811600000000, -0.0001048900000000 ] - [ -0.0004217800000000, -0.0006995400000000, 0.0003305200000000 ] - [ 0.0077227500000000, -0.0005003200000000, -0.0116733700000000 ] - [ -0.0000809600000000, 0.0001084000000000, 0.0008884000000000 ] - [ 0.0001821300000000, 0.0000594800000000, -0.0006828200000000 ] - [ 0.0013257100000000, -0.0023329800000000, -0.0127118300000000 ] - [ -0.0051211100000000, 0.0037924000000000, 0.0012014300000000 ] - [ -0.0001354500000000, 0.0006685100000000, 0.0002404800000000 ] - [ -0.0006536200000000, -0.0000558400000000, 0.0022468600000000 ] - [ 0.0000120800000000, -0.0002507400000000, 0.0001444700000000 ] - [ -0.0000182300000000, -0.0002409000000000, -0.0000953900000000 ] - [ 0.0002552900000000, 0.0004376600000000, 0.0002077600000000 ] - [ 0.0035758400000000, -0.0000063900000000, -0.0034739700000000 ] - [ -0.0014345600000000, 0.0003465800000000, -0.0015904900000000 ] - [ -0.0000780700000000, 0.0003043000000000, -0.0004114800000000 ] - [ -0.0000810800000000, -0.0000087600000000, -0.0001684100000000 ] - [ 0.0002909700000000, 0.0002080800000000, 0.0006198400000000 ] - [ 0.0004581600000000, 0.0000396500000000, 0.0013584300000000 ] - [ -0.0002767100000000, 0.0002166000000000, 0.0006986100000000 ] - [ 0.0003680300000000, 0.0002688700000000, -0.0010241000000000 ] - [ -0.0002281700000000, 0.0003108700000000, 0.0004010600000000 ] - [ 0.0000107700000000, 0.0002602900000000, 0.0003585200000000 ] - [ -0.0005387000000000, -0.0000268400000000, 0.0019891400000000 ] - [ -0.0001682000000000, -0.0002298500000000, -0.0000088600000000 ] - [ 0.0003293600000000, -0.0000917000000000, -0.0000824000000000 ] - [ 0.0002146000000000, -0.0000208000000000, -0.0002432400000000 ] - [ -0.0009014200000000, 0.0004693100000000, 0.0000496600000000 ] - [ -0.0007605800000000, -0.0006313500000000, -0.0003108000000000 ] - [ -0.0003111000000000, 0.0011835800000000, -0.0002560100000000 ] - [ -0.0000720100000000, 0.0000567900000000, 0.0002970500000000 ] - [ 0.0000766600000000, -0.0002769000000000, -0.0001430500000000 ] - [ 0.0001275400000000, 0.0002936200000000, -0.0000623600000000 ] - [ 0.0005744400000000, -0.0006362500000000, 0.0000555600000000 ] - [ 0.0003965900000000, 0.0007901900000000, 0.0000582900000000 ] - [ 0.0000269600000000, -0.0003197800000000, 0.0000997100000000 ] - [ -0.0002374700000000, 0.0001403800000000, -0.0003033300000000 ] - [ 0.0032862700000000, 0.0006764000000000, 0.0020715700000000 ] - [ -0.0000382800000000, 0.0002457900000000, 0.0001225800000000 ] - [ -0.0002790600000000, -0.0000587300000000, 0.0002732100000000 ] - [ -0.0000820800000000, 0.0000243300000000, -0.0001865200000000 ] - [ 0.0001843300000000, -0.0002440600000000, 0.0000234200000000 ] - [ -0.0001409900000000, 0.0001171600000000, 0.0002003700000000 ] - [ 0.0002158300000000, 0.0004922100000000, -0.0003503100000000 ] - [ -0.0003689300000000, 0.0013415900000000, 0.0014240100000000 ] - [ 0.0001018200000000, -0.0000157200000000, -0.0001680700000000 ] - [ -0.0005152100000000, -0.0007020600000000, 0.0027798500000000 ] - [ 0.0999580700000000, -0.0231218100000000, -0.0505941900000000 ] - [ 0.0013547600000000, 0.0007973600000000, 0.0002189600000000 ] - [ 0.0008373400000000, -0.0015986100000000, 0.0049810600000000 ] - [ 0.0001405500000000, -0.0001061000000000, -0.0004358500000000 ] - [ -0.0000736900000000, 0.0003899900000000, -0.0010968700000000 ] - [ -0.0003324500000000, -0.0003028000000000, 0.0000423600000000 ] - [ -0.0019136100000000, -0.0002397000000000, 0.0001126600000000 ] - [ 0.0000401100000000, -0.0001567200000000, 0.0001266700000000 ] - [ -0.0001945700000000, 0.0001966800000000, -0.0000434800000000 ] - [ -0.1446784200000000, 0.0272484300000000, 0.0460630100000000 ] - [ 0.0009553200000000, -0.0004802700000000, 0.0009905800000000 ] - [ -0.0005459700000000, 0.0000887300000000, 0.0003963300000000 ] - [ 0.0295121600000000, 0.0068827100000000, 0.0141987000000000 ] - [ 0.0000789900000000, 0.0000032600000000, 0.0003848200000000 ] - [ 0.0003895200000000, 0.0001564400000000, 0.0000589600000000 ] - [ -0.0016832800000000, 0.0032367000000000, -0.0005524700000000 ] - [ -0.0002340200000000, -0.0000818800000000, -0.0002028100000000 ] - [ 0.0000208200000000, 0.0001284700000000, -0.0028025000000000 ] - [ 0.0004918900000000, -0.0005280400000000, -0.0004861100000000 ] - [ -0.0014847900000000, -0.0023369200000000, 0.0014314800000000 ] - [ 0.0017629100000000, 0.0005164600000000, 0.0000038500000000 ] - [ -0.0002434500000000, 0.0002091300000000, 0.0002909100000000 ] - [ 0.0002838400000000, 0.0000638800000000, 0.0001154400000000 ] - [ 0.0000529800000000, 0.0000562000000000, 0.0005092100000000 ] - [ -0.0011627200000000, -0.0017724800000000, 0.0015387900000000 ] - [ 0.0001811100000000, 0.0004147300000000, 0.0001586800000000 ] - [ 0.0003215800000000, -0.0018830500000000, -0.0002270600000000 ] - [ 0.0000211200000000, 0.0022805000000000, -0.0020492200000000 ] - [ 0.0005515900000000, 0.0006035300000000, 0.0000254700000000 ] - [ 0.0000855800000000, -0.0000503700000000, -0.0004531600000000 ] - [ -0.0003161700000000, 0.0000509300000000, -0.0001417400000000 ] - [ 0.0001182100000000, -0.0000384300000000, 0.0004955200000000 ] - [ -0.0001880300000000, -0.0004442500000000, 0.0002174900000000 ] - [ 0.0001350500000000, -0.0005212500000000, -0.0002089800000000 ] - [ -0.0001132100000000, -0.0001138200000000, 0.0002232700000000 ] - [ -0.0004379500000000, 0.0002207100000000, -0.0015828500000000 ] - [ 0.0015999700000000, -0.0006505700000000, -0.0014084200000000 ] - [ 0.0008439200000000, -0.0004016300000000, -0.0002111900000000 ] - [ -0.0003765700000000, 0.0003447600000000, -0.0001613800000000 ] - [ 0.0009388500000000, -0.0009822800000000, 0.0017478800000000 ] - [ 0.0005346300000000, -0.0005190500000000, -0.0002193700000000 ] - [ 0.0001370700000000, 0.0003348300000000, -0.0003142300000000 ] - [ 0.0000232800000000, 0.0000378200000000, 0.0002834700000000 ] - [ -0.0002160000000000, -0.0002850200000000, 0.0005236400000000 ] - [ -0.0015034500000000, -0.0006297400000000, 0.0007040000000000 ] - [ -0.0008114100000000, -0.0004885700000000, 0.0002618800000000 ] - [ 0.0001691000000000, 0.0001191400000000, 0.0000115900000000 ] - [ -0.0000859400000000, -0.0006200000000000, -0.0006382500000000 ] - [ 0.0001283300000000, -0.0000790000000000, 0.0003036100000000 ] - [ -0.0002190300000000, 0.0004282600000000, -0.0000007500000000 ] - [ 0.0000402600000000, 0.0000002500000000, -0.0001656900000000 ] - [ 0.0010600700000000, 0.0000112300000000, 0.0001294900000000 ] - [ 0.0021657600000000, 0.0000439300000000, 0.0021400600000000 ] - [ -0.0005101600000000, -0.0003621200000000, -0.0002460800000000 ] - [ -0.0001212300000000, -0.0001735200000000, -0.0001393600000000 ] - [ 0.0052491900000000, -0.0107487900000000, 0.0143559000000000 ] - [ -0.0000798000000000, -0.0000507700000000, -0.0000801500000000 ] - [ 0.0018823400000000, 0.0018709800000000, 0.0005403600000000 ] - [ -0.0001608400000000, 0.0003038300000000, 0.0005416300000000 ] - [ 0.0041117600000000, 0.0051888900000000, -0.0028706500000000 ] - [ -0.0000940800000000, -0.0001662600000000, -0.0001016700000000 ] - [ -0.0000856700000000, -0.0001426200000000, -0.0001124000000000 ] - [ 0.0000341000000000, 0.0002969100000000, -0.0003854300000000 ] - [ -0.0001122000000000, -0.0002745000000000, 0.0001507400000000 ] - [ 0.0000957300000000, 0.0005426300000000, -0.0001365900000000 ] - [ 0.0002015300000000, 0.0002341200000000, -0.0004887500000000 ] - [ 0.0002015300000000, -0.0000048300000000, -0.0003490000000000 ] - [ 0.0005562200000000, 0.0006451800000000, -0.0006029900000000 ] - [ -0.0005192500000000, -0.0002077600000000, -0.0001552500000000 ] - [ -0.0004195300000000, -0.0004369800000000, -0.0001308000000000 ] - [ -0.0003401600000000, -0.0001684100000000, -0.0000440400000000 ] - [ 0.0000720200000000, -0.0002421200000000, -0.0007158100000000 ] - [ -0.0002300100000000, 0.0002261300000000, 0.0001647000000000 ] - [ -0.0001136700000000, 0.0005247700000000, 0.0001518700000000 ] - [ 0.0010986600000000, 0.0007690800000000, -0.0010585400000000 ] - [ -0.0001330700000000, -0.0000982000000000, 0.0003751800000000 ] - [ -0.0002879900000000, -0.0002513100000000, -0.0000225700000000 ] - [ -0.0002226500000000, -0.0003979800000000, -0.0000705600000000 ] - [ 0.0001759200000000, -0.0002173400000000, -0.0010193700000000 ] - [ 0.0007798900000000, -0.0007395700000000, -0.0015381700000000 ] - [ -0.0008992000000000, -0.0011014400000000, -0.0011477500000000 ] - [ -0.0044064500000000, -0.0051307800000000, -0.0056510200000000 ] - [ -0.0000874100000000, 0.0001503300000000, 0.0003472600000000 ] - [ -0.0001884200000000, 0.0000196900000000, 0.0000875300000000 ] - [ -0.0007351000000000, 0.0004854900000000, 0.0004625300000000 ] - [ 0.0001298800000000, -0.0003952300000000, 0.0000904900000000 ] - [ 0.0001829900000000, 0.0000287800000000, 0.0001141500000000 ] - [ 0.0001646300000000, -0.0002199200000000, -0.0002891400000000 ] - [ 0.0001066900000000, -0.0001714600000000, -0.0003422700000000 ] - [ 0.0000268800000000, -0.0001194400000000, -0.0003964800000000 ] - [ -0.0001315300000000, 0.0007822200000000, -0.0000123500000000 ] - [ -0.0001440700000000, 0.0001793200000000, -0.0000113300000000 ] - [ 0.0002500700000000, 0.0001243400000000, -0.0000533600000000 ] - [ -0.0000916800000000, 0.0000968700000000, 0.0000789800000000 ] - [ -0.0001001900000000, 0.0000164400000000, 0.0000817400000000 ] - [ -0.0007155900000000, 0.0000619600000000, -0.0014987400000000 ] - [ 0.0002514500000000, 0.0004956500000000, 0.0002888600000000 ] - [ 0.0001657000000000, -0.0000764000000000, -0.0002168000000000 ] - [ 0.0004773600000000, -0.0003507400000000, -0.0003257200000000 ] - [ -0.0004946200000000, 0.0001205100000000, 0.0000851600000000 ] - [ 0.0003405100000000, -0.0000496400000000, -0.0003548300000000 ] - [ -0.0002682800000000, 0.0000616000000000, -0.0003419100000000 ] - [ -0.0000570100000000, -0.0000344200000000, 0.0002445500000000 ] - [ 0.0003171200000000, -0.0004827200000000, -0.0001611900000000 ] - [ 0.0003409400000000, -0.0005315900000000, 0.0006851300000000 ]- atom: 82 displacement: [ 0.0099999639143206, 0.0000000000000000, -0.0000268647033593 ] forces: - [ 0.0000887000000000, -0.0000316700000000, 0.0000582400000000 ] - [ -0.0000781100000000, 0.0002659900000000, 0.0000149500000000 ] - [ 0.0002124200000000, -0.0001102300000000, 0.0003568700000000 ] - [ 0.0000384700000000, -0.0003082500000000, 0.0002012400000000 ] - [ 0.0019058100000000, -0.0004425200000000, 0.0002006200000000 ] - [ -0.0002043300000000, -0.0002439000000000, -0.0005490300000000 ] - [ -0.0005462000000000, 0.0001531200000000, -0.0001566900000000 ] - [ 0.0026090500000000, 0.0006940100000000, -0.0006335100000000 ] - [ 0.0001992100000000, 0.0000956800000000, -0.0000979500000000 ] - [ 0.0000955900000000, 0.0009516100000000, 0.0001464900000000 ] - [ 0.0000569900000000, 0.0003245700000000, 0.0001056800000000 ] - [ 0.0000649800000000, -0.0001911400000000, 0.0000180100000000 ] - [ 0.0004353400000000, -0.0001268300000000, 0.0001526000000000 ] - [ 0.0000312800000000, 0.0000596200000000, -0.0000209300000000 ] - [ -0.0000517800000000, 0.0000049300000000, 0.0000546600000000 ] - [ -0.0003176100000000, 0.0001293700000000, 0.0000239800000000 ] - [ 0.0053623400000000, 0.0005579700000000, -0.0009872300000000 ] - [ -0.0014943900000000, -0.0012201700000000, -0.0011279700000000 ] - [ -0.0004956400000000, 0.0002045700000000, -0.0001196500000000 ] - [ -0.0001143500000000, 0.0002980400000000, 0.0000054500000000 ] - [ 0.0005310600000000, -0.0000007500000000, -0.0001136200000000 ] - [ -0.0001192800000000, 0.0005621400000000, 0.0003492800000000 ] - [ -0.0006107500000000, -0.0000410900000000, 0.0001062400000000 ] - [ 0.0000859500000000, 0.0001341900000000, 0.0001673400000000 ] - [ 0.0003825700000000, -0.0000898500000000, 0.0003928600000000 ] - [ -0.0000760800000000, -0.0001822300000000, 0.0001366800000000 ] - [ 0.0019398200000000, -0.0006960300000000, 0.0002142500000000 ] - [ -0.0043857300000000, 0.0002093500000000, -0.0001935900000000 ] - [ 0.0000522700000000, 0.0000269900000000, 0.0003340900000000 ] - [ -0.0001943300000000, -0.0012020400000000, -0.0004169600000000 ] - [ -0.0002009900000000, 0.0011221700000000, 0.0009188500000000 ] - [ -0.0002109600000000, -0.0008260200000000, -0.0010063800000000 ] - [ -0.0002436100000000, 0.0003793600000000, 0.0004834300000000 ] - [ -0.0002413400000000, 0.0006919600000000, -0.0010096400000000 ] - [ -0.0001547500000000, -0.0000316400000000, 0.0000217200000000 ] - [ 0.0001692700000000, 0.0000029400000000, -0.0003772100000000 ] - [ -0.0052056800000000, 0.0029254400000000, 0.0024312600000000 ] - [ -0.0003617700000000, -0.0003761800000000, -0.0003309000000000 ] - [ 0.0113865600000000, -0.0010736100000000, -0.0042366100000000 ] - [ 0.0003594800000000, 0.0000122100000000, -0.0000859600000000 ] - [ -0.0000994600000000, 0.0008168800000000, -0.0005075900000000 ] - [ 0.0001586200000000, 0.0007971100000000, 0.0010726100000000 ] - [ -0.0010119300000000, -0.0006387000000000, 0.0003577300000000 ] - [ -0.0001864900000000, 0.0002397200000000, 0.0000283900000000 ] - [ -0.0024926900000000, -0.0000037300000000, -0.0006327200000000 ] - [ 0.0002582300000000, 0.0000207600000000, -0.0004346400000000 ] - [ 0.0002460000000000, 0.0002574700000000, -0.0000103300000000 ] - [ 0.0037759600000000, -0.0026760100000000, 0.0005331000000000 ] - [ -0.0001854100000000, -0.0000879000000000, -0.0000190600000000 ] - [ 0.0000192300000000, 0.0003246500000000, 0.0000929600000000 ] - [ 0.0001350200000000, -0.0001520700000000, 0.0001379600000000 ] - [ 0.0543832900000000, -0.0031643600000000, -0.0105208000000000 ] - [ -0.0020295800000000, 0.0015146300000000, -0.0002525100000000 ] - [ -0.0002192500000000, 0.0002820700000000, 0.0001083400000000 ] - [ -0.0004588800000000, -0.0002470000000000, -0.0002588400000000 ] - [ 0.0001354200000000, -0.0003244200000000, -0.0001700400000000 ] - [ 0.0000816300000000, -0.0008319700000000, 0.0002998800000000 ] - [ -0.0000022300000000, -0.0002421900000000, -0.0001053900000000 ] - [ -0.0018053500000000, -0.0034925300000000, 0.0005681000000000 ] - [ -0.0002105700000000, -0.0002552400000000, 0.0001157100000000 ] - [ 0.0000666100000000, -0.0002926300000000, -0.0005798700000000 ] - [ 0.0002631600000000, 0.0001450200000000, 0.0005113000000000 ] - [ 0.0000035800000000, 0.0003859000000000, 0.0001018100000000 ] - [ -0.0007954600000000, -0.0002374300000000, 0.0002897500000000 ] - [ -0.0001105900000000, -0.0000525100000000, -0.0002412000000000 ] - [ 0.0000542200000000, -0.0001304800000000, -0.0000828900000000 ] - [ 0.0004046800000000, 0.0001358100000000, 0.0010729100000000 ] - [ 0.0000656900000000, 0.0008528200000000, -0.0007413000000000 ] - [ -0.0001574800000000, 0.0002540300000000, 0.0000094100000000 ] - [ 0.0001002700000000, 0.0001659400000000, -0.0001571400000000 ] - [ -0.0004645600000000, -0.0003550300000000, 0.0007113600000000 ] - [ -0.0015298200000000, 0.0000281700000000, 0.0002028800000000 ] - [ -0.0030996600000000, -0.0016667700000000, -0.0003283400000000 ] - [ -0.0007550200000000, 0.0006690800000000, 0.0003086700000000 ] - [ 0.0002820300000000, -0.0000531700000000, -0.0003707300000000 ] - [ -0.0004842500000000, -0.0011753100000000, 0.0010462300000000 ] - [ 0.0001007900000000, -0.0000765500000000, -0.0000740000000000 ] - [ 0.0027162300000000, -0.0004468300000000, -0.0002901200000000 ] - [ 0.0015990900000000, 0.0002795100000000, 0.0002516100000000 ] - [ 0.0000312600000000, 0.0002802600000000, -0.0000305000000000 ] - [ 0.0016296900000000, -0.0001798200000000, -0.0005623500000000 ] - [ -0.0733428200000000, 0.0199301700000000, 0.0196150900000000 ] - [ -0.0001639100000000, -0.0001158500000000, 0.0002515100000000 ] - [ 0.0014469600000000, 0.0009171200000000, 0.0006333100000000 ] - [ -0.0003018200000000, -0.0000134400000000, 0.0005183500000000 ] - [ 0.0001631400000000, -0.0000146300000000, 0.0000846300000000 ] - [ 0.0007771900000000, -0.0003985500000000, -0.0002395400000000 ] - [ -0.0002600800000000, -0.0000088600000000, -0.0001064700000000 ] - [ -0.0002846300000000, -0.0007504400000000, 0.0006070600000000 ] - [ 0.0004823200000000, -0.0006263700000000, 0.0007854300000000 ] - [ 0.0026336900000000, 0.0006712400000000, 0.0007846400000000 ] - [ -0.0020691700000000, 0.0012932300000000, 0.0022808200000000 ] - [ -0.0002577000000000, 0.0002093500000000, 0.0003737500000000 ] - [ 0.0003141000000000, 0.0000402200000000, 0.0003182100000000 ] - [ 0.0004266000000000, -0.0013902800000000, 0.0003144900000000 ] - [ 0.0033582100000000, 0.0011632300000000, -0.0044572700000000 ] - [ -0.0000150100000000, 0.0003049000000000, 0.0001819100000000 ] - [ 0.0000501900000000, -0.0004713100000000, -0.0000953300000000 ] - [ 0.0003696400000000, 0.0000619100000000, -0.0002162600000000 ] - [ 0.0000706400000000, -0.0012855000000000, 0.0042762200000000 ] - [ -0.0000325700000000, 0.0001701300000000, -0.0001089500000000 ] - [ -0.0008691300000000, 0.0008771400000000, -0.0025231600000000 ] - [ 0.0003411800000000, -0.0000213500000000, 0.0003630300000000 ] - [ -0.0001205100000000, -0.0006393600000000, 0.0001862800000000 ] - [ 0.0001299500000000, -0.0005926800000000, -0.0001821200000000 ] - [ 0.0002183500000000, 0.0005391300000000, 0.0002650500000000 ] - [ -0.0000786400000000, 0.0000621800000000, 0.0001340300000000 ] - [ -0.0070931700000000, -0.0000536600000000, 0.0304892800000000 ] - [ 0.0051067200000000, -0.0168132800000000, -0.0328135200000000 ] - [ -0.0001229800000000, 0.0001836200000000, -0.0002684300000000 ] - [ -0.0000945100000000, 0.0016427000000000, 0.0001933900000000 ] - [ 0.0002386100000000, -0.0000325300000000, 0.0001521500000000 ] - [ 0.0002006400000000, 0.0002169200000000, -0.0002535100000000 ] - [ 0.0000843100000000, -0.0000914000000000, 0.0003129300000000 ] - [ -0.0004983300000000, -0.0000807500000000, 0.0006134100000000 ] - [ 0.0000306300000000, -0.0000569800000000, -0.0001891800000000 ] - [ 0.0034518100000000, 0.0001336500000000, 0.0001912400000000 ] - [ 0.0001529500000000, -0.0000704100000000, 0.0001642500000000 ] - [ 0.0001823300000000, -0.0003837400000000, -0.0000881000000000 ] - [ 0.0005294400000000, -0.0000876400000000, 0.0002422900000000 ] - [ -0.0004887200000000, 0.0004593800000000, -0.0000620600000000 ] - [ -0.0002339500000000, -0.0002053300000000, 0.0002146100000000 ] - [ -0.0008758700000000, -0.0000698800000000, -0.0001080200000000 ] - [ -0.0011544300000000, -0.0013113900000000, -0.0007604200000000 ] - [ -0.0000558200000000, -0.0004341600000000, -0.0000984700000000 ] - [ 0.0000794100000000, -0.0010100900000000, -0.0002042400000000 ] - [ 0.0004741200000000, -0.0000182400000000, -0.0003407400000000 ] - [ -0.0001571100000000, 0.0000181500000000, -0.0001785400000000 ] - [ 0.0022380300000000, 0.0001013900000000, 0.0005154500000000 ] - [ 0.0005428600000000, 0.0001246300000000, -0.0000614600000000 ] - [ -0.0002756000000000, -0.0008660600000000, -0.0001172700000000 ] - [ -0.0001715700000000, -0.0001177800000000, 0.0001029000000000 ] - [ -0.0001209900000000, -0.0002369400000000, -0.0000749100000000 ] - [ 0.0009604100000000, 0.0008716500000000, -0.0006511400000000 ] - [ -0.0005285800000000, 0.0000792000000000, -0.0000483500000000 ] - [ 0.0003061200000000, 0.0004713000000000, -0.0001562100000000 ] - [ 0.0006806500000000, -0.0002377900000000, 0.0001358200000000 ] - [ 0.0002677900000000, -0.0000257800000000, -0.0006986300000000 ] - [ -0.0001211700000000, 0.0004518300000000, -0.0001939800000000 ] - [ -0.0000622800000000, -0.0003131000000000, -0.0004689800000000 ] - [ 0.0000956000000000, -0.0001371800000000, 0.0000405100000000 ] - [ 0.0002394900000000, -0.0004917400000000, 0.0003492600000000 ] - [ 0.0003253900000000, 0.0002473800000000, -0.0000690800000000 ] - [ -0.0004560800000000, 0.0000490600000000, 0.0004311200000000 ] - [ -0.0005579900000000, 0.0002497400000000, 0.0001797500000000 ] - [ 0.0004487100000000, 0.0002557400000000, -0.0001473600000000 ] - [ -0.0001659700000000, -0.0004447600000000, 0.0006422600000000 ] - [ -0.0005731900000000, -0.0003217800000000, -0.0000076600000000 ] - [ -0.0003209000000000, -0.0005584700000000, -0.0000619600000000 ] - [ 0.0001806600000000, -0.0001520500000000, 0.0003656800000000 ] - [ 0.0001703200000000, 0.0000399100000000, 0.0001059000000000 ] - [ 0.0016190700000000, 0.0006612300000000, -0.0000986700000000 ] - [ 0.0002678500000000, -0.0004170300000000, -0.0006566400000000 ] - [ 0.0002798400000000, 0.0004373100000000, 0.0000281400000000 ] - [ -0.0003621000000000, 0.0001582700000000, -0.0001735100000000 ] - [ 0.0016008800000000, 0.0014803500000000, 0.0005010900000000 ] - [ 0.0002368300000000, -0.0005618500000000, 0.0000808200000000 ] - [ 0.0002380800000000, 0.0001335300000000, -0.0002410500000000 ] - [ 0.0002009900000000, -0.0003014100000000, -0.0002171100000000 ] - [ -0.0006910500000000, -0.0009750800000000, -0.0021831900000000 ] - [ 0.0000802300000000, -0.0000318400000000, -0.0004667200000000 ] - [ -0.0000217100000000, 0.0004877100000000, 0.0001554600000000 ] - [ 0.0001283100000000, 0.0002963400000000, -0.0000606900000000 ] - [ 0.0001338700000000, 0.0000144600000000, -0.0001145300000000 ] - [ -0.0002920500000000, 0.0000543900000000, 0.0001328200000000 ] - [ -0.0001080800000000, 0.0000293500000000, 0.0001563700000000 ] - [ -0.0000777300000000, 0.0000045800000000, 0.0001367800000000 ] - [ 0.0000722600000000, -0.0000682000000000, -0.0001962700000000 ] - [ -0.0005008000000000, 0.0000745000000000, -0.0002648100000000 ] - [ -0.0002885000000000, 0.0001968500000000, 0.0000383900000000 ] - [ -0.0007548900000000, 0.0023703400000000, -0.0017084200000000 ] - [ -0.0000996100000000, 0.0002613500000000, -0.0005549800000000 ] - [ 0.0003936100000000, 0.0010555300000000, -0.0013018600000000 ] - [ -0.0003821600000000, 0.0002376500000000, -0.0008480900000000 ] - [ 0.0006165400000000, -0.0004780400000000, -0.0000651400000000 ] - [ 0.0007548000000000, 0.0007157300000000, -0.0003241900000000 ]- atom: 82 displacement: [ -0.0099999639143206, 0.0000000000000000, 0.0000268647033593 ] forces: - [ 0.0001013100000000, -0.0001852800000000, 0.0001282400000000 ] - [ -0.0000528500000000, 0.0001766000000000, -0.0000685800000000 ] - [ 0.0004049700000000, 0.0001013900000000, -0.0004989000000000 ] - [ 0.0000535800000000, -0.0003583800000000, 0.0000768800000000 ] - [ -0.0020030900000000, -0.0002374100000000, -0.0004846100000000 ] - [ 0.0000122200000000, 0.0000244800000000, 0.0003649600000000 ] - [ 0.0003561900000000, 0.0000665800000000, -0.0000347400000000 ] - [ -0.0017358400000000, -0.0003444000000000, 0.0008478200000000 ] - [ -0.0001383600000000, -0.0002036600000000, -0.0000197200000000 ] - [ -0.0000061200000000, -0.0009237200000000, -0.0000006500000000 ] - [ 0.0000350900000000, 0.0003433200000000, 0.0001712200000000 ] - [ 0.0000662300000000, -0.0002520300000000, 0.0000367100000000 ] - [ 0.0004349900000000, -0.0002121100000000, 0.0000679900000000 ] - [ 0.0000289200000000, 0.0000504700000000, -0.0000956000000000 ] - [ -0.0000080400000000, -0.0001159400000000, 0.0000645300000000 ] - [ -0.0002996500000000, -0.0001378900000000, 0.0001190200000000 ] - [ -0.0059273100000000, -0.0011435700000000, 0.0009235000000000 ] - [ 0.0006292100000000, 0.0008817200000000, 0.0008950200000000 ] - [ -0.0003742400000000, 0.0001352700000000, -0.0000997100000000 ] - [ 0.0002451900000000, 0.0001462200000000, 0.0000482300000000 ] - [ 0.0000864800000000, 0.0000117600000000, -0.0000299500000000 ] - [ 0.0000289000000000, 0.0001042000000000, -0.0006246400000000 ] - [ -0.0000072700000000, 0.0000499700000000, 0.0000393700000000 ] - [ 0.0001041700000000, 0.0000844900000000, 0.0000199700000000 ] - [ 0.0001270200000000, -0.0002342100000000, 0.0005120400000000 ] - [ 0.0001608200000000, -0.0002941200000000, 0.0001454100000000 ] - [ -0.0023265700000000, -0.0003249400000000, 0.0004544200000000 ] - [ 0.0038785000000000, -0.0005409700000000, -0.0006940000000000 ] - [ -0.0001386000000000, 0.0004449800000000, -0.0006177300000000 ] - [ 0.0003778800000000, 0.0015180800000000, -0.0004393300000000 ] - [ 0.0000235600000000, -0.0008013200000000, -0.0000552200000000 ] - [ 0.0003174400000000, 0.0012044100000000, 0.0010944000000000 ] - [ -0.0001474700000000, 0.0006493900000000, 0.0001805600000000 ] - [ -0.0002651500000000, -0.0003744700000000, 0.0001007000000000 ] - [ 0.0000419900000000, -0.0003368800000000, -0.0000980800000000 ] - [ 0.0000129400000000, -0.0003204300000000, -0.0004800500000000 ] - [ 0.0055424400000000, -0.0027238800000000, -0.0025291000000000 ] - [ 0.0007528300000000, -0.0006434200000000, -0.0003366000000000 ] - [ -0.0114892100000000, 0.0005710200000000, 0.0040531100000000 ] - [ 0.0000152400000000, -0.0001964500000000, -0.0000137300000000 ] - [ -0.0000149100000000, -0.0004463900000000, 0.0004315100000000 ] - [ 0.0003476500000000, -0.0004667500000000, -0.0001656400000000 ] - [ 0.0011236500000000, 0.0002649900000000, -0.0002915500000000 ] - [ -0.0001882000000000, -0.0000536500000000, 0.0000737500000000 ] - [ 0.0021150800000000, -0.0001945300000000, 0.0007339500000000 ] - [ 0.0001346300000000, 0.0010064800000000, -0.0002268100000000 ] - [ -0.0001586300000000, 0.0002256800000000, 0.0002908300000000 ] - [ -0.0039844600000000, 0.0023576600000000, 0.0003865900000000 ] - [ -0.0001458900000000, -0.0003888100000000, -0.0000290100000000 ] - [ 0.0000445000000000, 0.0000568900000000, 0.0000701100000000 ] - [ 0.0003038200000000, 0.0002305800000000, -0.0008339500000000 ] - [ -0.0538143900000000, 0.0027136900000000, 0.0098536400000000 ] - [ 0.0024237300000000, -0.0008462800000000, 0.0000320200000000 ] - [ -0.0001944100000000, 0.0003935200000000, 0.0001202800000000 ] - [ 0.0008003500000000, -0.0002360700000000, 0.0003093600000000 ] - [ 0.0001556100000000, -0.0004442100000000, -0.0002876000000000 ] - [ -0.0000593700000000, 0.0014286300000000, -0.0005151500000000 ] - [ 0.0004163700000000, -0.0004313100000000, -0.0001240000000000 ] - [ 0.0017434200000000, 0.0038639300000000, -0.0007221300000000 ] - [ 0.0001826100000000, -0.0003502900000000, 0.0000987200000000 ] - [ -0.0003565800000000, 0.0004327600000000, 0.0000313700000000 ] - [ 0.0000303400000000, -0.0000022500000000, 0.0000356700000000 ] - [ -0.0000317500000000, 0.0002207300000000, 0.0001127000000000 ] - [ 0.0003817600000000, -0.0004367300000000, -0.0000610500000000 ] - [ -0.0001809600000000, -0.0000901000000000, -0.0003028400000000 ] - [ 0.0002016800000000, -0.0001295800000000, -0.0000534500000000 ] - [ -0.0006621200000000, 0.0001256800000000, -0.0009403000000000 ] - [ 0.0002214200000000, -0.0000822800000000, 0.0002778400000000 ] - [ -0.0001330900000000, 0.0005166700000000, 0.0004519200000000 ] - [ 0.0001567200000000, 0.0000972900000000, 0.0000170500000000 ] - [ 0.0000302400000000, 0.0002747900000000, -0.0000016900000000 ] - [ 0.0018634800000000, 0.0004599100000000, -0.0001561100000000 ] - [ 0.0028088400000000, 0.0008936900000000, 0.0007760100000000 ] - [ 0.0003182600000000, -0.0005876500000000, 0.0003858000000000 ] - [ 0.0001545100000000, -0.0000247700000000, -0.0003295200000000 ] - [ 0.0002305400000000, 0.0009231000000000, -0.0009188800000000 ] - [ -0.0001637800000000, -0.0003052100000000, -0.0000891400000000 ] - [ -0.0026897900000000, -0.0001612600000000, 0.0000779200000000 ] - [ -0.0015356700000000, -0.0006527400000000, -0.0000875400000000 ] - [ -0.0003616900000000, 0.0002004000000000, -0.0000174000000000 ] - [ -0.0011097700000000, 0.0009631000000000, 0.0006180000000000 ] - [ 0.0732591100000000, -0.0195264300000000, -0.0178477600000000 ] - [ -0.0004029800000000, -0.0000816400000000, 0.0002121800000000 ] - [ -0.0017480100000000, -0.0001711900000000, -0.0008880900000000 ] - [ 0.0003807300000000, -0.0000649200000000, 0.0001451100000000 ] - [ 0.0003059500000000, 0.0000853800000000, 0.0001074800000000 ] - [ -0.0003174800000000, 0.0003104600000000, -0.0000038100000000 ] - [ -0.0002833400000000, 0.0000894600000000, -0.0000996600000000 ] - [ -0.0001003900000000, 0.0006705500000000, -0.0002183100000000 ] - [ 0.0000334500000000, -0.0001533800000000, -0.0007335200000000 ] - [ -0.0023782400000000, -0.0005284100000000, -0.0004918500000000 ] - [ 0.0018275900000000, -0.0002076900000000, -0.0019358300000000 ] - [ -0.0002247900000000, 0.0002938000000000, 0.0004649100000000 ] - [ 0.0002619900000000, -0.0000702000000000, 0.0002690700000000 ] - [ -0.0005711000000000, 0.0001994600000000, 0.0000199500000000 ] - [ -0.0031367000000000, -0.0022704700000000, 0.0040509600000000 ] - [ 0.0003080600000000, 0.0004489000000000, 0.0000618900000000 ] - [ 0.0001014100000000, -0.0007220300000000, -0.0002410200000000 ] - [ -0.0007515600000000, 0.0000176300000000, 0.0005852000000000 ] - [ -0.0004527300000000, 0.0021584100000000, -0.0043357800000000 ] - [ 0.0001647600000000, -0.0001523000000000, -0.0007394400000000 ] - [ 0.0002927500000000, -0.0008412900000000, 0.0019317400000000 ] - [ 0.0002353700000000, 0.0000484900000000, 0.0002268000000000 ] - [ -0.0001050900000000, -0.0004691500000000, 0.0001806500000000 ] - [ 0.0001212300000000, -0.0004806500000000, -0.0001679800000000 ] - [ -0.0004834600000000, -0.0004221500000000, -0.0000583700000000 ] - [ -0.0003899000000000, 0.0000099100000000, -0.0003377300000000 ] - [ 0.0074208200000000, 0.0005095500000000, -0.0313178500000000 ] - [ -0.0047243800000000, 0.0168438800000000, 0.0328045100000000 ] - [ -0.0002040000000000, 0.0003653600000000, 0.0008596200000000 ] - [ -0.0002313200000000, -0.0022083300000000, 0.0003989200000000 ] - [ 0.0003077700000000, -0.0000500400000000, 0.0000523900000000 ] - [ 0.0001268300000000, 0.0003283400000000, -0.0003340900000000 ] - [ -0.0000045100000000, 0.0001665000000000, 0.0003509700000000 ] - [ 0.0000147500000000, -0.0004223300000000, 0.0002279600000000 ] - [ 0.0002325500000000, 0.0001691000000000, -0.0000156600000000 ] - [ -0.0029015600000000, -0.0000361500000000, 0.0000270500000000 ] - [ 0.0001637900000000, 0.0001694700000000, 0.0001694100000000 ] - [ -0.0004805300000000, -0.0003662000000000, -0.0001532800000000 ] - [ -0.0002117000000000, -0.0000127000000000, 0.0000904000000000 ] - [ -0.0000336800000000, 0.0003273500000000, 0.0000013300000000 ] - [ -0.0000558900000000, -0.0000164500000000, 0.0001196000000000 ] - [ 0.0005612400000000, -0.0000296400000000, -0.0002270500000000 ] - [ 0.0013545300000000, 0.0016550200000000, 0.0008816100000000 ] - [ -0.0003481000000000, -0.0004412700000000, 0.0000490500000000 ] - [ -0.0003242700000000, 0.0008687100000000, -0.0000878700000000 ] - [ -0.0005528100000000, -0.0000651200000000, -0.0003217200000000 ] - [ -0.0000905600000000, 0.0001175900000000, -0.0001153900000000 ] - [ -0.0012796500000000, 0.0000620900000000, -0.0003967300000000 ] - [ 0.0003955500000000, 0.0004415500000000, -0.0000672600000000 ] - [ -0.0001937200000000, 0.0007897800000000, -0.0000744300000000 ] - [ -0.0000912600000000, 0.0000053700000000, 0.0000998100000000 ] - [ -0.0000798700000000, -0.0000927000000000, -0.0000459200000000 ] - [ -0.0008076800000000, 0.0003205500000000, 0.0003172200000000 ] - [ -0.0004219500000000, 0.0000719200000000, -0.0000783800000000 ] - [ -0.0000518700000000, 0.0006007900000000, -0.0001943300000000 ] - [ 0.0002716200000000, 0.0000850200000000, -0.0000083900000000 ] - [ 0.0001161200000000, -0.0000514300000000, 0.0003142300000000 ] - [ 0.0003469100000000, 0.0006575800000000, -0.0001723200000000 ] - [ -0.0008867500000000, 0.0001596000000000, 0.0003411700000000 ] - [ -0.0003429400000000, -0.0009299700000000, 0.0003120400000000 ] - [ -0.0007798800000000, 0.0004116300000000, -0.0005506500000000 ] - [ -0.0004095000000000, -0.0001695500000000, -0.0005970300000000 ] - [ -0.0001106500000000, 0.0001465900000000, 0.0000297100000000 ] - [ 0.0003326000000000, 0.0008502100000000, 0.0001871500000000 ] - [ 0.0000111000000000, -0.0001695600000000, -0.0001009100000000 ] - [ -0.0000652700000000, 0.0002940900000000, -0.0002055800000000 ] - [ -0.0003647800000000, -0.0002451200000000, 0.0001364000000000 ] - [ -0.0002001500000000, -0.0002310000000000, 0.0000014900000000 ] - [ 0.0000659300000000, 0.0000160000000000, -0.0000750300000000 ] - [ 0.0000627100000000, -0.0001880900000000, -0.0005435700000000 ] - [ -0.0013855300000000, -0.0005093200000000, -0.0003213300000000 ] - [ 0.0002145100000000, -0.0000864200000000, -0.0001856100000000 ] - [ 0.0001252300000000, 0.0004370400000000, 0.0000221000000000 ] - [ -0.0000973900000000, -0.0002444300000000, 0.0004166400000000 ] - [ -0.0018921300000000, -0.0012551800000000, -0.0001679900000000 ] - [ 0.0000575500000000, -0.0001950500000000, 0.0001626300000000 ] - [ 0.0002311400000000, -0.0002042800000000, 0.0004312800000000 ] - [ 0.0001272000000000, -0.0002466600000000, -0.0003733900000000 ] - [ 0.0009827800000000, 0.0007482200000000, 0.0018471800000000 ] - [ 0.0000533000000000, 0.0000132000000000, -0.0003873900000000 ] - [ -0.0001283900000000, 0.0007025300000000, 0.0001795600000000 ] - [ -0.0003297400000000, 0.0000316600000000, -0.0000597600000000 ] - [ 0.0002497500000000, 0.0000612300000000, -0.0002669700000000 ] - [ -0.0001654300000000, 0.0000294500000000, 0.0001116800000000 ] - [ -0.0001242700000000, 0.0001190600000000, 0.0002774300000000 ] - [ -0.0000552700000000, 0.0000148000000000, 0.0007130500000000 ] - [ 0.0002170700000000, 0.0002888600000000, -0.0001383700000000 ] - [ 0.0007107800000000, -0.0003935300000000, 0.0003831100000000 ] - [ 0.0012251400000000, -0.0007715800000000, -0.0001723100000000 ] - [ -0.0001914600000000, -0.0017984800000000, 0.0018276700000000 ] - [ 0.0006653100000000, -0.0004587400000000, 0.0000928500000000 ] - [ -0.0007001300000000, -0.0009486700000000, 0.0009624100000000 ] - [ -0.0001931700000000, -0.0002675100000000, 0.0002654200000000 ] - [ -0.0002118500000000, -0.0003987100000000, 0.0001156500000000 ] - [ -0.0001893100000000, -0.0005241500000000, -0.0001353800000000 ]- atom: 82 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000997400000000, -0.0005899000000000, 0.0001055700000000 ] - [ -0.0000515800000000, 0.0003505400000000, -0.0002959500000000 ] - [ 0.0004751900000000, 0.0001916800000000, -0.0003908600000000 ] - [ 0.0000258400000000, -0.0005643500000000, 0.0001155300000000 ] - [ -0.0003288500000000, -0.0022031000000000, 0.0028729400000000 ] - [ -0.0004355100000000, 0.0006292700000000, -0.0004061900000000 ] - [ 0.0000082000000000, 0.0002406700000000, 0.0002442900000000 ] - [ 0.0008095000000000, -0.0020963600000000, 0.0013275600000000 ] - [ -0.0000454800000000, -0.0007283400000000, -0.0002654100000000 ] - [ 0.0011807500000000, 0.0021259000000000, 0.0004032800000000 ] - [ -0.0000200700000000, -0.0000967100000000, 0.0001322500000000 ] - [ 0.0000519800000000, -0.0005557700000000, 0.0000622800000000 ] - [ 0.0004444100000000, -0.0003835200000000, 0.0000622300000000 ] - [ 0.0000374700000000, -0.0002513300000000, -0.0000439300000000 ] - [ -0.0000361100000000, 0.0002379500000000, -0.0001052500000000 ] - [ -0.0003084500000000, -0.0003570500000000, 0.0002039700000000 ] - [ 0.0004419200000000, 0.0030457200000000, 0.0006154500000000 ] - [ -0.0011566100000000, 0.0000856900000000, -0.0007535600000000 ] - [ -0.0004359000000000, -0.0000450500000000, -0.0002243700000000 ] - [ 0.0001406000000000, -0.0001085600000000, -0.0000938100000000 ] - [ 0.0002222400000000, -0.0007427000000000, -0.0000508300000000 ] - [ 0.0002857600000000, 0.0007179400000000, -0.0005748800000000 ] - [ -0.0003168200000000, 0.0001234100000000, 0.0001545100000000 ] - [ 0.0001405700000000, -0.0001013600000000, 0.0000868700000000 ] - [ 0.0001788200000000, -0.0014635200000000, 0.0004973800000000 ] - [ 0.0001060400000000, -0.0013718400000000, 0.0001073200000000 ] - [ 0.0000117400000000, 0.0003183600000000, 0.0021621400000000 ] - [ -0.0000978700000000, 0.0018304700000000, -0.0008367800000000 ] - [ -0.0003712600000000, 0.0008990900000000, 0.0005028500000000 ] - [ -0.0007688200000000, -0.0008011200000000, 0.0003333800000000 ] - [ 0.0011250100000000, -0.0015318800000000, -0.0006310300000000 ] - [ -0.0018131000000000, -0.0013620100000000, -0.0010724500000000 ] - [ -0.0002395700000000, -0.0005938400000000, 0.0008293000000000 ] - [ -0.0000257500000000, 0.0006688700000000, 0.0006324900000000 ] - [ -0.0000282300000000, -0.0009695000000000, -0.0000931200000000 ] - [ 0.0000698600000000, -0.0010089600000000, -0.0004360800000000 ] - [ 0.0056114600000000, -0.0021578000000000, -0.0018947300000000 ] - [ 0.0001686900000000, -0.0016181900000000, -0.0004409700000000 ] - [ -0.0003669400000000, 0.0129803000000000, 0.0020514600000000 ] - [ 0.0001099300000000, -0.0014178400000000, -0.0006618300000000 ] - [ 0.0004738500000000, -0.0007863900000000, 0.0007292700000000 ] - [ 0.0004823700000000, -0.0008833300000000, -0.0002103700000000 ] - [ 0.0006960000000000, 0.0009352700000000, -0.0001660400000000 ] - [ -0.0002555800000000, -0.0005560700000000, -0.0000639700000000 ] - [ 0.0001495400000000, 0.0007736600000000, 0.0003924500000000 ] - [ -0.0000535900000000, 0.0011461500000000, -0.0005971800000000 ] - [ -0.0002113400000000, -0.0003788000000000, -0.0003825500000000 ] - [ -0.0015489200000000, 0.0021709000000000, -0.0026254600000000 ] - [ -0.0000373100000000, -0.0009706400000000, 0.0000046700000000 ] - [ 0.0001832400000000, -0.0006604800000000, 0.0000727900000000 ] - [ 0.0001563700000000, -0.0000598000000000, -0.0002955100000000 ] - [ -0.0027803400000000, 0.0635494100000000, 0.0406528300000000 ] - [ 0.0021070200000000, 0.0012143100000000, 0.0000785300000000 ] - [ -0.0002214100000000, -0.0004436400000000, 0.0003468100000000 ] - [ -0.0001578700000000, 0.0002881100000000, 0.0001130000000000 ] - [ 0.0003474800000000, -0.0007791600000000, -0.0004866000000000 ] - [ -0.0000417400000000, 0.0024430800000000, -0.0001601800000000 ] - [ 0.0002009400000000, -0.0006776900000000, 0.0000006400000000 ] - [ -0.0025643600000000, 0.0030861800000000, 0.0005201700000000 ] - [ -0.0000616400000000, -0.0008402000000000, 0.0001525100000000 ] - [ -0.0007603200000000, -0.0000050400000000, -0.0010186900000000 ] - [ 0.0001552200000000, 0.0000982000000000, -0.0002656200000000 ] - [ -0.0000468300000000, -0.0002976400000000, 0.0001021700000000 ] - [ 0.0002010200000000, -0.0002375700000000, -0.0000110200000000 ] - [ -0.0003484000000000, -0.0002551800000000, -0.0002424700000000 ] - [ 0.0001978800000000, -0.0002393400000000, -0.0000638000000000 ] - [ -0.0009086200000000, 0.0005217200000000, -0.0010350400000000 ] - [ 0.0006099400000000, -0.0000101800000000, 0.0000516700000000 ] - [ -0.0000962900000000, 0.0000567700000000, -0.0002739800000000 ] - [ -0.0001168000000000, -0.0004961100000000, 0.0001064200000000 ] - [ -0.0002905500000000, 0.0002202800000000, -0.0003640700000000 ] - [ 0.0003499700000000, 0.0001713900000000, 0.0000195300000000 ] - [ 0.0006705000000000, 0.0007814300000000, 0.0000987400000000 ] - [ 0.0010144800000000, -0.0005131100000000, 0.0012750700000000 ] - [ 0.0006094600000000, -0.0004390100000000, -0.0004590100000000 ] - [ -0.0006730100000000, -0.0017373500000000, 0.0013514100000000 ] - [ 0.0000051000000000, -0.0006918100000000, -0.0000464600000000 ] - [ 0.0005858200000000, -0.0031766900000000, -0.0009981000000000 ] - [ -0.0009691800000000, -0.0007075800000000, -0.0001573100000000 ] - [ -0.0003146600000000, -0.0008311600000000, -0.0000337300000000 ] - [ -0.0002294400000000, 0.0001182600000000, 0.0003610500000000 ] - [ 0.0195582800000000, -0.0573358700000000, -0.0711050300000000 ] - [ -0.0000693500000000, 0.0004922700000000, 0.0001156400000000 ] - [ 0.0003630100000000, -0.0001057500000000, 0.0002014900000000 ] - [ 0.0000133600000000, 0.0007770700000000, -0.0004230700000000 ] - [ 0.0001675400000000, 0.0003954700000000, 0.0000572400000000 ] - [ -0.0006712300000000, 0.0005782000000000, -0.0002070400000000 ] - [ -0.0003520100000000, 0.0004641400000000, 0.0000140500000000 ] - [ -0.0008172100000000, 0.0003336900000000, -0.0009339300000000 ] - [ 0.0007241000000000, -0.0012832900000000, 0.0002698000000000 ] - [ -0.0003559300000000, -0.0011993700000000, -0.0000572800000000 ] - [ 0.0008262700000000, 0.0024103300000000, 0.0038598100000000 ] - [ -0.0001738000000000, 0.0005161600000000, 0.0004630300000000 ] - [ 0.0002842500000000, 0.0000139700000000, 0.0003394100000000 ] - [ -0.0009617100000000, -0.0007702800000000, -0.0006031900000000 ] - [ -0.0005790100000000, -0.0033323900000000, -0.0004613200000000 ] - [ 0.0001711900000000, 0.0012327700000000, 0.0001177800000000 ] - [ 0.0001690200000000, 0.0003596600000000, -0.0000580200000000 ] - [ -0.0002348600000000, -0.0004658100000000, 0.0007637700000000 ] - [ -0.0014776200000000, -0.0007385200000000, -0.0030528200000000 ] - [ 0.0002292000000000, 0.0002789400000000, 0.0001969100000000 ] - [ 0.0001649600000000, -0.0014921700000000, 0.0031472600000000 ] - [ 0.0003567200000000, 0.0005351700000000, 0.0002569600000000 ] - [ -0.0001232400000000, 0.0001575600000000, 0.0001706200000000 ] - [ 0.0001776100000000, -0.0000099500000000, -0.0001027100000000 ] - [ 0.0003537700000000, 0.0000321900000000, 0.0000764700000000 ] - [ -0.0003816600000000, -0.0003463700000000, 0.0008028000000000 ] - [ -0.0015919600000000, -0.0171323600000000, -0.0033234600000000 ] - [ -0.0170162500000000, -0.0010405400000000, 0.0280428600000000 ] - [ -0.0001329300000000, 0.0000008200000000, 0.0009205200000000 ] - [ 0.0012657200000000, 0.0014927900000000, -0.0001336800000000 ] - [ 0.0002976600000000, 0.0002272700000000, 0.0003571400000000 ] - [ 0.0002544900000000, 0.0008119200000000, -0.0004764400000000 ] - [ -0.0000266300000000, 0.0007972200000000, 0.0001534100000000 ] - [ 0.0008550900000000, 0.0006281800000000, 0.0004964800000000 ] - [ 0.0000405300000000, 0.0003373500000000, 0.0002888500000000 ] - [ -0.0009262500000000, -0.0013726600000000, -0.0006064500000000 ] - [ 0.0002090900000000, 0.0006522600000000, 0.0002017300000000 ] - [ -0.0000683800000000, -0.0010724400000000, -0.0002395200000000 ] - [ 0.0000733300000000, 0.0003446000000000, 0.0000409800000000 ] - [ -0.0001494300000000, 0.0010714500000000, -0.0001193900000000 ] - [ -0.0001997200000000, 0.0002449400000000, 0.0000873500000000 ] - [ -0.0000339900000000, 0.0018198300000000, 0.0000872300000000 ] - [ -0.0004586300000000, 0.0011498500000000, 0.0022119900000000 ] - [ -0.0000751700000000, -0.0003192400000000, -0.0002037000000000 ] - [ -0.0005775200000000, 0.0009073600000000, 0.0003175600000000 ] - [ 0.0001686800000000, 0.0002062800000000, -0.0003348000000000 ] - [ -0.0001754900000000, 0.0005535900000000, -0.0000790000000000 ] - [ -0.0003981200000000, -0.0012297500000000, 0.0002149800000000 ] - [ 0.0004283100000000, 0.0009318100000000, 0.0000302900000000 ] - [ -0.0013592700000000, 0.0013223400000000, -0.0003136100000000 ] - [ 0.0000610100000000, 0.0002583600000000, 0.0000823000000000 ] - [ -0.0001124300000000, 0.0003662100000000, -0.0000167300000000 ] - [ -0.0004768300000000, 0.0000541300000000, 0.0001844400000000 ] - [ -0.0007011600000000, 0.0007029800000000, -0.0001245800000000 ] - [ 0.0000424300000000, 0.0011900400000000, -0.0002597500000000 ] - [ 0.0003554900000000, 0.0000973000000000, -0.0000752100000000 ] - [ 0.0001803300000000, 0.0001701000000000, -0.0000797200000000 ] - [ 0.0001632600000000, 0.0008613600000000, -0.0006296100000000 ] - [ -0.0008766300000000, 0.0001456700000000, 0.0003442400000000 ] - [ -0.0003924100000000, -0.0016382200000000, 0.0001046500000000 ] - [ -0.0008066400000000, 0.0001014500000000, -0.0004793100000000 ] - [ -0.0000604300000000, -0.0004967100000000, -0.0003286200000000 ] - [ -0.0003983900000000, 0.0001168800000000, -0.0000046500000000 ] - [ 0.0001778200000000, 0.0009952500000000, 0.0003119500000000 ] - [ 0.0001897500000000, -0.0003037100000000, 0.0001207000000000 ] - [ -0.0005313700000000, 0.0006604400000000, -0.0000717000000000 ] - [ -0.0004673400000000, 0.0000356500000000, -0.0000226700000000 ] - [ -0.0002478500000000, 0.0001768900000000, 0.0000274900000000 ] - [ 0.0001830100000000, 0.0000699100000000, 0.0003805000000000 ] - [ 0.0003590800000000, 0.0001153100000000, 0.0005670300000000 ] - [ -0.0004430100000000, -0.0009050200000000, -0.0003828300000000 ] - [ 0.0000514800000000, -0.0001769900000000, 0.0001231000000000 ] - [ 0.0003713000000000, 0.0009719100000000, 0.0000542500000000 ] - [ -0.0002365100000000, -0.0000038200000000, -0.0001457700000000 ] - [ 0.0005379700000000, -0.0006605300000000, 0.0001480900000000 ] - [ 0.0000232300000000, 0.0002784800000000, 0.0001612800000000 ] - [ 0.0003400900000000, 0.0001138400000000, -0.0000626600000000 ] - [ 0.0001094000000000, -0.0000687500000000, -0.0004292700000000 ] - [ 0.0006072800000000, 0.0007080700000000, 0.0010381100000000 ] - [ 0.0000885000000000, 0.0002638700000000, -0.0004296800000000 ] - [ -0.0000707000000000, 0.0010573600000000, 0.0001729900000000 ] - [ 0.0000316600000000, 0.0008246200000000, -0.0001319300000000 ] - [ 0.0001331000000000, 0.0005089900000000, -0.0001124700000000 ] - [ -0.0005385100000000, 0.0006257800000000, 0.0001620500000000 ] - [ -0.0001892400000000, 0.0004566200000000, 0.0004200600000000 ] - [ -0.0000600800000000, -0.0001221300000000, 0.0007968200000000 ] - [ -0.0000229000000000, 0.0009074500000000, -0.0000743000000000 ] - [ 0.0001832900000000, -0.0018018500000000, -0.0002150800000000 ] - [ 0.0010700800000000, -0.0004486100000000, 0.0001541000000000 ] - [ 0.0017013400000000, -0.0000154700000000, -0.0031714600000000 ] - [ 0.0008326400000000, -0.0008944200000000, 0.0001334000000000 ] - [ -0.0013083000000000, -0.0018174300000000, 0.0012342900000000 ] - [ 0.0002061600000000, 0.0006337300000000, -0.0014102400000000 ] - [ -0.0000140800000000, -0.0004153800000000, 0.0002360700000000 ] - [ 0.0007835100000000, 0.0012432500000000, -0.0004731900000000 ]- atom: 82 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000902300000000, 0.0003765300000000, 0.0000791600000000 ] - [ -0.0000765900000000, 0.0000864700000000, 0.0002416600000000 ] - [ 0.0001402500000000, -0.0001996600000000, 0.0002456000000000 ] - [ 0.0000662500000000, -0.0000981800000000, 0.0001648500000000 ] - [ 0.0002330300000000, 0.0015010100000000, -0.0031481300000000 ] - [ 0.0002447500000000, -0.0008458800000000, 0.0002224000000000 ] - [ -0.0001979200000000, -0.0000292400000000, -0.0004317100000000 ] - [ 0.0000404500000000, 0.0025609100000000, -0.0011083000000000 ] - [ 0.0001043200000000, 0.0006232000000000, 0.0001480300000000 ] - [ -0.0012006200000000, -0.0020487300000000, -0.0002853700000000 ] - [ 0.0001114000000000, 0.0007610900000000, 0.0001467700000000 ] - [ 0.0000764500000000, 0.0001172000000000, -0.0000062400000000 ] - [ 0.0004223400000000, 0.0000480000000000, 0.0001549000000000 ] - [ 0.0000207400000000, 0.0003561900000000, -0.0000688700000000 ] - [ -0.0000224700000000, -0.0003450500000000, 0.0002196900000000 ] - [ -0.0003085100000000, 0.0003483600000000, -0.0000592100000000 ] - [ -0.0005839100000000, -0.0034913400000000, -0.0006724800000000 ] - [ 0.0002933100000000, -0.0004128200000000, 0.0005272900000000 ] - [ -0.0004307700000000, 0.0003808600000000, 0.0000077000000000 ] - [ -0.0000128600000000, 0.0005492800000000, 0.0001479900000000 ] - [ 0.0003946800000000, 0.0007570800000000, -0.0000938100000000 ] - [ -0.0003767000000000, -0.0000573500000000, 0.0002956700000000 ] - [ -0.0003002700000000, -0.0001116500000000, -0.0000068500000000 ] - [ 0.0000491600000000, 0.0003170100000000, 0.0000985400000000 ] - [ 0.0003454800000000, 0.0011439600000000, 0.0004241500000000 ] - [ -0.0000369300000000, 0.0009008100000000, 0.0001827200000000 ] - [ -0.0003794700000000, -0.0013243500000000, -0.0014906800000000 ] - [ -0.0004225400000000, -0.0021558400000000, -0.0000773000000000 ] - [ 0.0003058100000000, -0.0004326800000000, -0.0008005300000000 ] - [ 0.0009484400000000, 0.0011158600000000, -0.0011974400000000 ] - [ -0.0013141900000000, 0.0018441200000000, 0.0015141400000000 ] - [ 0.0019365600000000, 0.0017374500000000, 0.0011708700000000 ] - [ -0.0001312300000000, 0.0016236700000000, -0.0001697700000000 ] - [ -0.0005021500000000, -0.0003605900000000, -0.0015622400000000 ] - [ -0.0000887000000000, 0.0005977900000000, 0.0000042300000000 ] - [ 0.0001155400000000, 0.0006983200000000, -0.0004371400000000 ] - [ -0.0052451400000000, 0.0023568500000000, 0.0018135500000000 ] - [ 0.0002034000000000, 0.0005959700000000, -0.0002200500000000 ] - [ 0.0003025000000000, -0.0134100200000000, -0.0021463900000000 ] - [ 0.0002887100000000, 0.0012364700000000, 0.0005795800000000 ] - [ -0.0005854900000000, 0.0011613600000000, -0.0008112000000000 ] - [ 0.0000389600000000, 0.0012118500000000, 0.0011289300000000 ] - [ -0.0005769200000000, -0.0013132700000000, 0.0002488500000000 ] - [ -0.0001439100000000, 0.0007391500000000, 0.0001494200000000 ] - [ -0.0005504500000000, -0.0009510100000000, -0.0003073000000000 ] - [ 0.0004268900000000, -0.0001155300000000, -0.0000613600000000 ] - [ 0.0002837100000000, 0.0008600900000000, 0.0006669100000000 ] - [ 0.0013338800000000, -0.0024936300000000, 0.0035534700000000 ] - [ -0.0002794500000000, 0.0004974300000000, -0.0000588400000000 ] - [ -0.0001133900000000, 0.0010573100000000, 0.0000961800000000 ] - [ 0.0002974900000000, 0.0001307900000000, -0.0003949600000000 ] - [ 0.0030912900000000, -0.0643150500000000, -0.0402152500000000 ] - [ -0.0017025200000000, -0.0005394600000000, -0.0003102100000000 ] - [ -0.0001983000000000, 0.0011065400000000, -0.0001075200000000 ] - [ 0.0004843900000000, -0.0007701300000000, -0.0000560400000000 ] - [ -0.0000469300000000, -0.0000001900000000, 0.0000330000000000 ] - [ 0.0000747200000000, -0.0018393300000000, -0.0000570300000000 ] - [ 0.0002200700000000, 0.0000156600000000, -0.0002400500000000 ] - [ 0.0024850100000000, -0.0026700800000000, -0.0006843200000000 ] - [ 0.0000291100000000, 0.0002297000000000, 0.0000640400000000 ] - [ 0.0004579300000000, 0.0001391200000000, 0.0004653200000000 ] - [ 0.0001375600000000, 0.0000336400000000, 0.0008112000000000 ] - [ 0.0000135900000000, 0.0009124700000000, 0.0001141400000000 ] - [ -0.0006209300000000, -0.0004214600000000, 0.0002502600000000 ] - [ 0.0000557100000000, 0.0001233000000000, -0.0003013300000000 ] - [ 0.0000537600000000, -0.0000154600000000, -0.0000743800000000 ] - [ 0.0006479400000000, -0.0002646300000000, 0.0011613000000000 ] - [ -0.0003053100000000, 0.0007959600000000, -0.0005161800000000 ] - [ -0.0002039500000000, 0.0007237100000000, 0.0007306100000000 ] - [ 0.0003708500000000, 0.0007577700000000, -0.0002494700000000 ] - [ -0.0001545000000000, -0.0002886500000000, 0.0010660100000000 ] - [ -0.0000344200000000, 0.0003019100000000, 0.0000352600000000 ] - [ -0.0009742200000000, -0.0015644300000000, 0.0003527000000000 ] - [ -0.0014732800000000, 0.0005849400000000, -0.0005886300000000 ] - [ -0.0001598000000000, 0.0003702300000000, -0.0002369000000000 ] - [ 0.0004241000000000, 0.0014884800000000, -0.0012159000000000 ] - [ -0.0000764000000000, 0.0002981200000000, -0.0001227400000000 ] - [ -0.0005610300000000, 0.0025630100000000, 0.0007912200000000 ] - [ 0.0010437600000000, 0.0003246700000000, 0.0003262100000000 ] - [ -0.0000034400000000, 0.0013045500000000, -0.0000194700000000 ] - [ 0.0007047100000000, 0.0006882300000000, -0.0002980800000000 ] - [ -0.0195167600000000, 0.0579831900000000, 0.0720038700000000 ] - [ -0.0004840800000000, -0.0006641400000000, 0.0003593600000000 ] - [ -0.0006350400000000, 0.0008887800000000, -0.0004453000000000 ] - [ 0.0000541200000000, -0.0008982800000000, 0.0010777300000000 ] - [ 0.0003199700000000, -0.0003250200000000, 0.0001601300000000 ] - [ 0.0011656300000000, -0.0006877900000000, -0.0000447100000000 ] - [ -0.0002091100000000, -0.0003780200000000, -0.0002219600000000 ] - [ 0.0004324400000000, -0.0004025600000000, 0.0013571700000000 ] - [ -0.0002567800000000, 0.0004934200000000, -0.0002131100000000 ] - [ 0.0005874800000000, 0.0013387100000000, 0.0003384000000000 ] - [ -0.0011037500000000, -0.0013161400000000, -0.0035398300000000 ] - [ -0.0003090500000000, -0.0000058000000000, 0.0003707900000000 ] - [ 0.0002851300000000, -0.0000440400000000, 0.0002307800000000 ] - [ 0.0008076100000000, -0.0004188700000000, 0.0009351300000000 ] - [ 0.0007782100000000, 0.0021931100000000, 0.0000962200000000 ] - [ 0.0000963100000000, -0.0004530600000000, 0.0001252900000000 ] - [ -0.0000175000000000, -0.0015389500000000, -0.0002822300000000 ] - [ -0.0001582300000000, 0.0005356200000000, -0.0003568000000000 ] - [ 0.0011047900000000, 0.0015824500000000, 0.0029960400000000 ] - [ -0.0000972200000000, -0.0002605700000000, -0.0010194600000000 ] - [ -0.0007328400000000, 0.0015129100000000, -0.0036925500000000 ] - [ 0.0002133200000000, -0.0005089300000000, 0.0003151900000000 ] - [ -0.0000960200000000, -0.0012853800000000, 0.0001972300000000 ] - [ 0.0000977100000000, -0.0010775400000000, -0.0002448300000000 ] - [ -0.0005854000000000, 0.0000559100000000, 0.0001192500000000 ] - [ -0.0001053400000000, 0.0004196000000000, -0.0010346700000000 ] - [ 0.0020221500000000, 0.0176427500000000, 0.0022012500000000 ] - [ 0.0171538600000000, 0.0007640300000000, -0.0281177800000000 ] - [ -0.0001986600000000, 0.0005440700000000, -0.0003296800000000 ] - [ -0.0016124800000000, -0.0020445800000000, 0.0007162200000000 ] - [ 0.0002681000000000, -0.0003153700000000, -0.0001509000000000 ] - [ 0.0000766500000000, -0.0002746900000000, -0.0001052700000000 ] - [ 0.0000947500000000, -0.0006765300000000, 0.0005118000000000 ] - [ -0.0013240600000000, -0.0011332300000000, 0.0003416900000000 ] - [ 0.0001961500000000, -0.0002476200000000, -0.0004841500000000 ] - [ 0.0014990800000000, 0.0014644400000000, 0.0008175700000000 ] - [ 0.0001158900000000, -0.0005155100000000, 0.0001309400000000 ] - [ -0.0002061400000000, 0.0003024000000000, -0.0000014900000000 ] - [ 0.0002526800000000, -0.0004879000000000, 0.0002903900000000 ] - [ -0.0003233700000000, -0.0002677600000000, 0.0000530800000000 ] - [ -0.0000736100000000, -0.0004856100000000, 0.0002446900000000 ] - [ -0.0002896700000000, -0.0019584800000000, -0.0004219000000000 ] - [ 0.0006778500000000, -0.0007950100000000, -0.0021106900000000 ] - [ -0.0003124000000000, -0.0005458100000000, 0.0001462200000000 ] - [ 0.0003459000000000, -0.0010493000000000, -0.0005930600000000 ] - [ -0.0002389400000000, -0.0003247100000000, -0.0003302500000000 ] - [ -0.0000547300000000, -0.0004167000000000, -0.0002048500000000 ] - [ 0.0013453700000000, 0.0013716800000000, -0.0000937500000000 ] - [ 0.0005385000000000, -0.0003438000000000, -0.0001634300000000 ] - [ 0.0008821000000000, -0.0014026000000000, 0.0000939200000000 ] - [ -0.0002967700000000, -0.0003470200000000, 0.0001106200000000 ] - [ -0.0001041400000000, -0.0007001700000000, -0.0001001100000000 ] - [ 0.0006302400000000, 0.0011230300000000, -0.0005245500000000 ] - [ -0.0002400300000000, -0.0005615200000000, 0.0000008100000000 ] - [ 0.0002368400000000, -0.0001036700000000, -0.0000893400000000 ] - [ 0.0005874700000000, -0.0002392800000000, 0.0001993900000000 ] - [ 0.0002127600000000, -0.0002379400000000, -0.0003386800000000 ] - [ 0.0000566500000000, 0.0002664600000000, 0.0002673500000000 ] - [ -0.0000623300000000, -0.0002893000000000, -0.0004669000000000 ] - [ 0.0001150500000000, 0.0005579100000000, 0.0002446000000000 ] - [ 0.0002421100000000, -0.0001934500000000, 0.0002746600000000 ] - [ -0.0000125900000000, 0.0006214500000000, -0.0003382900000000 ] - [ -0.0001539900000000, 0.0000509300000000, 0.0004767500000000 ] - [ -0.0003980700000000, 0.0001202700000000, 0.0000575500000000 ] - [ 0.0002963600000000, 0.0004086900000000, -0.0003753000000000 ] - [ 0.0002930500000000, -0.0007927600000000, 0.0005015800000000 ] - [ -0.0004987300000000, -0.0006244600000000, 0.0001560800000000 ] - [ -0.0002250800000000, -0.0009823400000000, -0.0000919400000000 ] - [ 0.0000444000000000, -0.0002055200000000, -0.0001007400000000 ] - [ -0.0001290500000000, -0.0002442200000000, -0.0009937800000000 ] - [ 0.0006745800000000, 0.0010397500000000, -0.0000362600000000 ] - [ 0.0004329600000000, -0.0003314700000000, -0.0009594600000000 ] - [ 0.0000161100000000, -0.0001062800000000, 0.0000040600000000 ] - [ -0.0002541100000000, -0.0001059000000000, 0.0003969500000000 ] - [ -0.0008126000000000, 0.0008940900000000, 0.0001821700000000 ] - [ 0.0002464900000000, -0.0010600200000000, 0.0000821700000000 ] - [ 0.0001493200000000, -0.0001847100000000, 0.0002772100000000 ] - [ 0.0002221800000000, -0.0004731000000000, -0.0001581100000000 ] - [ -0.0003302800000000, -0.0009605200000000, -0.0013791100000000 ] - [ 0.0000428700000000, -0.0002830100000000, -0.0004029800000000 ] - [ -0.0000805100000000, 0.0001213600000000, 0.0001656700000000 ] - [ -0.0002487700000000, -0.0004930200000000, 0.0000144500000000 ] - [ 0.0002600700000000, -0.0004433200000000, -0.0003036000000000 ] - [ 0.0000519300000000, -0.0005217900000000, 0.0000904700000000 ] - [ -0.0000433800000000, -0.0003237900000000, 0.0000052300000000 ] - [ -0.0000714600000000, 0.0001437300000000, 0.0000324400000000 ] - [ 0.0002972700000000, -0.0006686000000000, -0.0002585800000000 ] - [ 0.0000399000000000, 0.0014840600000000, 0.0003375600000000 ] - [ -0.0001082700000000, -0.0001487700000000, -0.0002908200000000 ] - [ -0.0026563800000000, 0.0005967400000000, 0.0032787200000000 ] - [ -0.0002767300000000, 0.0007188400000000, -0.0006030800000000 ] - [ 0.0009863600000000, 0.0019633600000000, -0.0015653000000000 ] - [ -0.0007836700000000, -0.0006656400000000, 0.0008438100000000 ] - [ 0.0004013500000000, -0.0004535500000000, -0.0001762800000000 ] - [ -0.0002335000000000, -0.0010770300000000, 0.0000004000000000 ]- atom: 82 displacement: [ -0.0035230240541542, 0.0000000000000000, 0.0093588621911988 ] forces: - [ 0.0001045400000000, -0.0002814900000000, 0.0003832300000000 ] - [ -0.0001370700000000, 0.0001134700000000, -0.0010900800000000 ] - [ 0.0015020500000000, 0.0000218600000000, -0.0022330900000000 ] - [ 0.0000676400000000, -0.0004728500000000, -0.0003620500000000 ] - [ -0.0000005300000000, 0.0039296600000000, 0.0017716700000000 ] - [ -0.0016743400000000, -0.0001728800000000, -0.0014185100000000 ] - [ 0.0000279400000000, 0.0005820400000000, 0.0003246500000000 ] - [ -0.0011148100000000, -0.0001057100000000, 0.0049584400000000 ] - [ -0.0002037000000000, -0.0005915200000000, 0.0003790800000000 ] - [ -0.0005840600000000, 0.0004315200000000, 0.0049905700000000 ] - [ 0.0000182600000000, 0.0002296600000000, 0.0004536200000000 ] - [ 0.0000034200000000, -0.0002574800000000, -0.0001374500000000 ] - [ 0.0004929400000000, -0.0002424700000000, -0.0002336700000000 ] - [ 0.0000954300000000, 0.0000833100000000, -0.0003183900000000 ] - [ 0.0001112100000000, 0.0003210700000000, -0.0010847800000000 ] - [ -0.0003560400000000, 0.0000509200000000, 0.0002516900000000 ] - [ -0.0020510500000000, 0.0009794100000000, 0.0048581100000000 ] - [ -0.0029548200000000, -0.0019003500000000, 0.0006804900000000 ] - [ -0.0004119000000000, -0.0000319200000000, -0.0003699900000000 ] - [ 0.0002898700000000, -0.0001878000000000, 0.0002266500000000 ] - [ 0.0001653900000000, -0.0002341600000000, 0.0006123500000000 ] - [ 0.0015255200000000, -0.0002855500000000, -0.0023432900000000 ] - [ -0.0000569200000000, 0.0002557600000000, -0.0006691500000000 ] - [ 0.0000557200000000, 0.0000933900000000, -0.0005253000000000 ] - [ 0.0002090100000000, -0.0002877100000000, 0.0008860100000000 ] - [ 0.0002030700000000, -0.0003812200000000, 0.0001956400000000 ] - [ -0.0022234300000000, 0.0060709700000000, -0.0033951300000000 ] - [ 0.0046754100000000, -0.0015669100000000, 0.0002222400000000 ] - [ 0.0007695200000000, 0.0031238900000000, -0.0016204200000000 ] - [ 0.0011602000000000, 0.0038266500000000, 0.0009047600000000 ] - [ 0.0023791700000000, -0.0039675100000000, 0.0011761800000000 ] - [ -0.0033956800000000, -0.0026976300000000, 0.0012215100000000 ] - [ -0.0000223500000000, 0.0008030100000000, 0.0008825500000000 ] - [ -0.0011902400000000, 0.0029374800000000, -0.0011115000000000 ] - [ 0.0000403900000000, -0.0006175200000000, -0.0003458000000000 ] - [ 0.0000208000000000, -0.0003865200000000, -0.0007164200000000 ] - [ 0.0148187900000000, -0.0081333900000000, -0.0038822800000000 ] - [ 0.0003080800000000, -0.0009814300000000, 0.0008094200000000 ] - [ -0.0078103500000000, 0.0074103900000000, 0.0512530800000000 ] - [ -0.0000662000000000, -0.0020104300000000, -0.0012951700000000 ] - [ -0.0003921600000000, 0.0011726400000000, 0.0009716300000000 ] - [ 0.0012464300000000, -0.0025280100000000, -0.0014905400000000 ] - [ 0.0007836500000000, 0.0005843600000000, -0.0031072500000000 ] - [ -0.0004341200000000, 0.0000056500000000, -0.0009326600000000 ] - [ 0.0014245600000000, 0.0003327700000000, 0.0045730300000000 ] - [ -0.0025848200000000, 0.0001571900000000, -0.0048260300000000 ] - [ -0.0012167900000000, -0.0017138400000000, -0.0005711500000000 ] - [ 0.0036529900000000, 0.0020637300000000, -0.0197939500000000 ] - [ -0.0000509500000000, -0.0007777600000000, -0.0000240500000000 ] - [ 0.0002861300000000, -0.0003019300000000, 0.0001164600000000 ] - [ 0.0014545200000000, 0.0013155900000000, -0.0024030400000000 ] - [ -0.0271891900000000, 0.0394634000000000, 0.2093521700000000 ] - [ -0.0063846100000000, 0.0035359300000000, 0.0032288000000000 ] - [ -0.0004213400000000, -0.0004319300000000, 0.0005541100000000 ] - [ -0.0031549600000000, 0.0001100700000000, -0.0008913500000000 ] - [ 0.0001431900000000, -0.0007304700000000, -0.0008353000000000 ] - [ 0.0029127000000000, 0.0030038900000000, -0.0009687300000000 ] - [ 0.0002883800000000, 0.0000236400000000, -0.0003456900000000 ] - [ 0.0055085600000000, 0.0067854600000000, -0.0000076700000000 ] - [ 0.0002244600000000, -0.0001348100000000, 0.0001487300000000 ] - [ -0.0000948500000000, 0.0000978700000000, 0.0016980800000000 ] - [ 0.0002452100000000, 0.0002084400000000, -0.0017092800000000 ] - [ -0.0000989600000000, -0.0001313600000000, 0.0000954900000000 ] - [ 0.0007332000000000, -0.0012867300000000, -0.0008722800000000 ] - [ -0.0002201400000000, -0.0000600100000000, -0.0008107800000000 ] - [ -0.0007486000000000, 0.0008048800000000, -0.0016249500000000 ] - [ -0.0034843600000000, -0.0011356800000000, -0.0094981500000000 ] - [ 0.0006435100000000, -0.0011005400000000, 0.0024380100000000 ] - [ -0.0005210300000000, -0.0003493700000000, -0.0015105800000000 ] - [ 0.0001815000000000, -0.0000487800000000, 0.0005235800000000 ] - [ -0.0017582200000000, 0.0004152200000000, -0.0041731600000000 ] - [ 0.0008667000000000, -0.0003845400000000, 0.0000110500000000 ] - [ 0.0024562500000000, 0.0003667400000000, 0.0027839900000000 ] - [ 0.0001418200000000, 0.0005502800000000, 0.0029228300000000 ] - [ 0.0002471800000000, 0.0000227900000000, 0.0002344500000000 ] - [ 0.0003203800000000, -0.0001721900000000, 0.0015872700000000 ] - [ -0.0001151300000000, 0.0007934900000000, -0.0001316700000000 ] - [ -0.0010039300000000, -0.0075332200000000, -0.0002219800000000 ] - [ -0.0018010100000000, -0.0038212900000000, -0.0005255800000000 ] - [ -0.0000823300000000, 0.0012894700000000, 0.0001145400000000 ] - [ -0.0007017100000000, 0.0010954000000000, -0.0005077600000000 ] - [ 0.0422732100000000, -0.0762574400000000, -0.3857247300000000 ] - [ -0.0004268300000000, -0.0000264400000000, -0.0001395900000000 ] - [ -0.0004538900000000, 0.0007157400000000, -0.0007828000000000 ] - [ 0.0005507300000000, -0.0016713300000000, -0.0003544600000000 ] - [ 0.0001998500000000, 0.0001362900000000, -0.0002508800000000 ] - [ 0.0002928700000000, -0.0002492500000000, -0.0009978800000000 ] - [ -0.0001234700000000, 0.0003059600000000, 0.0003883500000000 ] - [ 0.0003846100000000, -0.0011577600000000, -0.0015486200000000 ] - [ 0.0028703700000000, -0.0028314300000000, 0.0026945800000000 ] - [ -0.0017513600000000, -0.0002844600000000, -0.0036427500000000 ] - [ 0.0053140400000000, 0.0090180100000000, 0.0021049900000000 ] - [ -0.0002062100000000, 0.0003504200000000, 0.0008628600000000 ] - [ 0.0008952700000000, 0.0000019400000000, 0.0022383800000000 ] - [ 0.0014027400000000, -0.0032435200000000, -0.0020639400000000 ] - [ -0.0115512400000000, -0.0043103700000000, 0.0030269500000000 ] - [ 0.0004005300000000, -0.0001131100000000, -0.0000732800000000 ] - [ 0.0003430500000000, 0.0006392300000000, -0.0000574100000000 ] - [ -0.0007681400000000, -0.0005038500000000, 0.0040270500000000 ] - [ 0.0093460800000000, -0.0057657000000000, 0.0020617500000000 ] - [ 0.0004025200000000, 0.0005202100000000, -0.0018706500000000 ] - [ 0.0008711700000000, -0.0055175200000000, 0.0200616000000000 ] - [ 0.0002242500000000, 0.0001215500000000, -0.0002878400000000 ] - [ -0.0002162400000000, -0.0001720000000000, 0.0001340200000000 ] - [ 0.0003388900000000, -0.0000048200000000, -0.0000073400000000 ] - [ -0.0001160000000000, -0.0001604000000000, -0.0015336200000000 ] - [ -0.0001558900000000, -0.0002335100000000, 0.0064885300000000 ] - [ 0.0244895400000000, 0.0005364600000000, 0.0518517900000000 ] - [ -0.0340818100000000, 0.0332959300000000, 0.0466791500000000 ] - [ -0.0001308300000000, 0.0020049700000000, 0.0058778900000000 ] - [ -0.0000899600000000, -0.0004134800000000, -0.0020526600000000 ] - [ 0.0006384700000000, 0.0002666000000000, 0.0009344400000000 ] - [ 0.0001508700000000, 0.0005911800000000, -0.0006315100000000 ] - [ -0.0001038900000000, 0.0004864400000000, 0.0003036300000000 ] - [ -0.0002959000000000, -0.0004406500000000, -0.0011479800000000 ] - [ -0.0002567100000000, 0.0004424200000000, 0.0009320900000000 ] - [ -0.0039701200000000, -0.0006413900000000, -0.0024783700000000 ] - [ 0.0002349200000000, 0.0004660700000000, 0.0002711000000000 ] - [ 0.0012791800000000, -0.0015021700000000, 0.0001443900000000 ] - [ -0.0000496900000000, -0.0003751300000000, -0.0002446100000000 ] - [ -0.0002512400000000, -0.0001153500000000, -0.0000721400000000 ] - [ 0.0001654100000000, -0.0005996200000000, 0.0003331800000000 ] - [ 0.0008830000000000, 0.0051695300000000, -0.0002036400000000 ] - [ -0.0019194900000000, 0.0093096200000000, 0.0018962000000000 ] - [ -0.0005230400000000, -0.0008874700000000, 0.0000467700000000 ] - [ -0.0011092700000000, 0.0028571800000000, -0.0009607200000000 ] - [ 0.0001265800000000, 0.0008647100000000, -0.0008028800000000 ] - [ -0.0000683900000000, 0.0004120500000000, 0.0002444400000000 ] - [ 0.0024615100000000, -0.0000705400000000, -0.0012716700000000 ] - [ 0.0000966600000000, 0.0008855600000000, -0.0002762300000000 ] - [ -0.0006026700000000, 0.0004049200000000, -0.0026455500000000 ] - [ -0.0001208300000000, -0.0000139800000000, 0.0004697000000000 ] - [ -0.0000631500000000, 0.0003695400000000, 0.0001312300000000 ] - [ -0.0012985300000000, 0.0006570600000000, 0.0012427800000000 ] - [ -0.0005376100000000, 0.0004775800000000, -0.0002398300000000 ] - [ -0.0000378700000000, 0.0003955600000000, -0.0002662200000000 ] - [ 0.0007487800000000, -0.0005181400000000, 0.0003522700000000 ] - [ -0.0004440700000000, -0.0002831200000000, 0.0023120600000000 ] - [ 0.0001723800000000, -0.0005437600000000, 0.0001714000000000 ] - [ -0.0012403600000000, 0.0011519400000000, 0.0011123200000000 ] - [ -0.0021204000000000, -0.0025311400000000, 0.0007700200000000 ] - [ -0.0015535300000000, 0.0008920400000000, -0.0022831700000000 ] - [ 0.0015149400000000, 0.0006753200000000, 0.0016529700000000 ] - [ 0.0014447300000000, -0.0011080700000000, 0.0018054200000000 ] - [ 0.0004501700000000, 0.0032153200000000, 0.0002942400000000 ] - [ 0.0008449600000000, -0.0001027200000000, 0.0016863700000000 ] - [ 0.0000877100000000, 0.0007462400000000, -0.0019572800000000 ] - [ -0.0006461200000000, -0.0007985700000000, 0.0000816900000000 ] - [ -0.0002157700000000, 0.0002418300000000, 0.0000165200000000 ] - [ 0.0005280200000000, -0.0002643100000000, 0.0016643200000000 ] - [ 0.0006908500000000, 0.0008389000000000, 0.0012701900000000 ] - [ -0.0001831400000000, -0.0002714700000000, -0.0012570900000000 ] - [ -0.0000885900000000, 0.0002436100000000, 0.0008627800000000 ] - [ 0.0004627700000000, 0.0007153700000000, -0.0002659700000000 ] - [ -0.0018230600000000, -0.0018482600000000, 0.0020553200000000 ] - [ -0.0047401300000000, -0.0033421300000000, -0.0009589200000000 ] - [ -0.0001620500000000, 0.0003502900000000, 0.0002563300000000 ] - [ -0.0000509000000000, -0.0006743600000000, 0.0010221200000000 ] - [ 0.0003467400000000, -0.0004772500000000, 0.0001880400000000 ] - [ 0.0002995900000000, 0.0039217500000000, 0.0038704400000000 ] - [ 0.0000364000000000, 0.0000120200000000, 0.0000693400000000 ] - [ -0.0001247000000000, 0.0004192800000000, 0.0004820200000000 ] - [ -0.0004255100000000, -0.0003571600000000, -0.0002577000000000 ] - [ 0.0002746800000000, 0.0000957800000000, -0.0009052600000000 ] - [ -0.0001098200000000, 0.0000255900000000, -0.0002243900000000 ] - [ -0.0001546700000000, 0.0003186700000000, 0.0008305100000000 ] - [ -0.0003364400000000, -0.0003475400000000, 0.0026119100000000 ] - [ -0.0000309100000000, 0.0009020700000000, -0.0003145300000000 ] - [ -0.0025126700000000, -0.0035314900000000, 0.0018193000000000 ] - [ 0.0023162100000000, 0.0022046800000000, 0.0023990700000000 ] - [ -0.0033995600000000, -0.0062329700000000, 0.0024157700000000 ] - [ 0.0037037100000000, -0.0022636400000000, 0.0042537700000000 ] - [ -0.0037087400000000, -0.0019604300000000, 0.0026792200000000 ] - [ -0.0008899100000000, -0.0007295700000000, -0.0013748000000000 ] - [ -0.0003427700000000, 0.0000892400000000, 0.0010902500000000 ] - [ -0.0000678800000000, -0.0000403100000000, -0.0009750100000000 ]- atom: 82 displacement: [ 0.0035230240541542, 0.0000000000000000, -0.0093588621911988 ] forces: - [ 0.0000852800000000, 0.0000670300000000, -0.0001989600000000 ] - [ 0.0000103200000000, 0.0003325600000000, 0.0010393500000000 ] - [ -0.0008875400000000, -0.0000359800000000, 0.0020927400000000 ] - [ 0.0000240200000000, -0.0001940700000000, 0.0006413800000000 ] - [ -0.0000945500000000, -0.0046277100000000, -0.0020089700000000 ] - [ 0.0014966100000000, -0.0000408000000000, 0.0012308400000000 ] - [ -0.0002165500000000, -0.0003702800000000, -0.0005051500000000 ] - [ 0.0019748000000000, 0.0004887400000000, -0.0047496800000000 ] - [ 0.0002619200000000, 0.0004897400000000, -0.0004895300000000 ] - [ 0.0005709700000000, -0.0003488600000000, -0.0048845900000000 ] - [ 0.0000736300000000, 0.0004362600000000, -0.0001742100000000 ] - [ 0.0001245800000000, -0.0001833600000000, 0.0001917500000000 ] - [ 0.0003751300000000, -0.0000926300000000, 0.0004524200000000 ] - [ -0.0000364400000000, 0.0000191100000000, 0.0002037600000000 ] - [ -0.0001715600000000, -0.0004223200000000, 0.0011998200000000 ] - [ -0.0002623500000000, -0.0000629300000000, -0.0001058200000000 ] - [ 0.0018805700000000, -0.0014300000000000, -0.0049376500000000 ] - [ 0.0020995900000000, 0.0015735400000000, -0.0008759100000000 ] - [ -0.0004567300000000, 0.0003680300000000, 0.0001511500000000 ] - [ -0.0001608100000000, 0.0006270200000000, -0.0001697700000000 ] - [ 0.0004537400000000, 0.0002398000000000, -0.0007619700000000 ] - [ -0.0016334700000000, 0.0009605600000000, 0.0020748400000000 ] - [ -0.0005638600000000, -0.0002474500000000, 0.0008111700000000 ] - [ 0.0001348900000000, 0.0001174800000000, 0.0007108500000000 ] - [ 0.0003158900000000, -0.0000328000000000, 0.0000303700000000 ] - [ -0.0001340400000000, -0.0000929300000000, 0.0000891700000000 ] - [ 0.0018765400000000, -0.0071531700000000, 0.0040427500000000 ] - [ -0.0052370500000000, 0.0012570500000000, -0.0011706000000000 ] - [ -0.0008448300000000, -0.0026464600000000, 0.0013498800000000 ] - [ -0.0009717100000000, -0.0035220900000000, -0.0017951900000000 ] - [ -0.0025798900000000, 0.0043020000000000, -0.0003287100000000 ] - [ 0.0035290000000000, 0.0030767200000000, -0.0011619500000000 ] - [ -0.0003511600000000, 0.0002148000000000, -0.0002125800000000 ] - [ 0.0006690700000000, -0.0026124100000000, 0.0002107000000000 ] - [ -0.0001566000000000, 0.0002393700000000, 0.0002602400000000 ] - [ 0.0001644900000000, 0.0000688400000000, -0.0001519200000000 ] - [ -0.0143789200000000, 0.0083095300000000, 0.0038053200000000 ] - [ 0.0000619000000000, -0.0000496900000000, -0.0014810800000000 ] - [ 0.0079969400000000, -0.0083181300000000, -0.0554906600000000 ] - [ 0.0004667700000000, 0.0018357700000000, 0.0012093400000000 ] - [ 0.0002728400000000, -0.0007913700000000, -0.0010692700000000 ] - [ -0.0007223500000000, 0.0028382900000000, 0.0024152200000000 ] - [ -0.0006612500000000, -0.0009516400000000, 0.0032263300000000 ] - [ 0.0000360100000000, 0.0001784900000000, 0.0010224500000000 ] - [ -0.0018259100000000, -0.0005075100000000, -0.0044937200000000 ] - [ 0.0029677900000000, 0.0008610600000000, 0.0041673400000000 ] - [ 0.0012849000000000, 0.0021813300000000, 0.0008677700000000 ] - [ -0.0038351400000000, -0.0023512200000000, 0.0206591000000000 ] - [ -0.0002650400000000, 0.0002979500000000, -0.0000292700000000 ] - [ -0.0002157400000000, 0.0006985600000000, 0.0000514700000000 ] - [ -0.0010103500000000, -0.0012509700000000, 0.0017092700000000 ] - [ 0.0270718000000000, -0.0351417300000000, -0.1930090500000000 ] - [ 0.0067999300000000, -0.0028704200000000, -0.0034830600000000 ] - [ 0.0000029600000000, 0.0010951100000000, -0.0003174800000000 ] - [ 0.0034706800000000, -0.0005778800000000, 0.0009444000000000 ] - [ 0.0001575400000000, -0.0000500300000000, 0.0003799100000000 ] - [ -0.0028859900000000, -0.0023781200000000, 0.0007564500000000 ] - [ 0.0001312900000000, -0.0006868400000000, 0.0001078900000000 ] - [ -0.0055879100000000, -0.0064436200000000, -0.0001821400000000 ] - [ -0.0002562100000000, -0.0004780000000000, 0.0000666900000000 ] - [ -0.0001930900000000, 0.0000383000000000, -0.0022304800000000 ] - [ 0.0000477500000000, -0.0000739300000000, 0.0022570600000000 ] - [ 0.0000659900000000, 0.0007417300000000, 0.0001208800000000 ] - [ -0.0011505600000000, 0.0006233200000000, 0.0011133700000000 ] - [ -0.0000721500000000, -0.0000725300000000, 0.0002662100000000 ] - [ 0.0010038600000000, -0.0010702200000000, 0.0014810700000000 ] - [ 0.0032609000000000, 0.0014022100000000, 0.0097051000000000 ] - [ -0.0003436700000000, 0.0018769000000000, -0.0028824900000000 ] - [ 0.0002214500000000, 0.0011321100000000, 0.0019697300000000 ] - [ 0.0000707300000000, 0.0003062400000000, -0.0006660000000000 ] - [ 0.0013083300000000, -0.0004845700000000, 0.0048665000000000 ] - [ -0.0005554600000000, 0.0008572800000000, 0.0000433800000000 ] - [ -0.0027575200000000, -0.0011436900000000, -0.0023231600000000 ] - [ -0.0005837700000000, -0.0004908400000000, -0.0022314800000000 ] - [ 0.0002058600000000, -0.0000945700000000, -0.0009299200000000 ] - [ -0.0005809300000000, -0.0001062000000000, -0.0014326200000000 ] - [ 0.0000441700000000, -0.0011945400000000, -0.0000363300000000 ] - [ 0.0010648100000000, 0.0069648700000000, -0.0000067500000000 ] - [ 0.0018644800000000, 0.0034154000000000, 0.0006934600000000 ] - [ -0.0002334900000000, -0.0008122100000000, -0.0001691100000000 ] - [ 0.0011801500000000, -0.0002935800000000, 0.0005841700000000 ] - [ -0.0423592400000000, 0.0715819600000000, 0.3738429500000000 ] - [ -0.0001244000000000, -0.0001422400000000, 0.0006126300000000 ] - [ 0.0001897400000000, 0.0000630100000000, 0.0005527600000000 ] - [ -0.0004846000000000, 0.0015533300000000, 0.0010328800000000 ] - [ 0.0002852500000000, -0.0000648200000000, 0.0004642700000000 ] - [ 0.0001878500000000, 0.0001488100000000, 0.0007476000000000 ] - [ -0.0004371900000000, -0.0002204600000000, -0.0005964700000000 ] - [ -0.0007816800000000, 0.0010981700000000, 0.0019503100000000 ] - [ -0.0023957700000000, 0.0020204900000000, -0.0026321500000000 ] - [ 0.0019690900000000, 0.0004171600000000, 0.0039340700000000 ] - [ -0.0056560200000000, -0.0079969300000000, -0.0017171100000000 ] - [ -0.0002736100000000, 0.0001610500000000, -0.0000289200000000 ] - [ -0.0003243200000000, -0.0000251000000000, -0.0016652500000000 ] - [ -0.0015504300000000, 0.0020655300000000, 0.0024128700000000 ] - [ 0.0118854200000000, 0.0032248000000000, -0.0033895200000000 ] - [ -0.0001314900000000, 0.0008903400000000, 0.0003177000000000 ] - [ -0.0001931500000000, -0.0018208000000000, -0.0002792400000000 ] - [ 0.0003823300000000, 0.0005713000000000, -0.0036116200000000 ] - [ -0.0097829600000000, 0.0066536500000000, -0.0020492000000000 ] - [ -0.0002706000000000, -0.0005036700000000, 0.0010261700000000 ] - [ -0.0014419500000000, 0.0056349900000000, -0.0208631200000000 ] - [ 0.0003474200000000, -0.0000921900000000, 0.0008624100000000 ] - [ -0.0000023600000000, -0.0009531900000000, 0.0002343300000000 ] - [ -0.0000652600000000, -0.0010752800000000, -0.0003417800000000 ] - [ -0.0001276000000000, 0.0002483700000000, 0.0017297200000000 ] - [ -0.0003259200000000, 0.0003015500000000, -0.0067085600000000 ] - [ -0.0235763300000000, 0.0000025100000000, -0.0522967300000000 ] - [ 0.0339047800000000, -0.0328209000000000, -0.0462869100000000 ] - [ -0.0002053100000000, -0.0014785300000000, -0.0053321600000000 ] - [ -0.0002310400000000, -0.0001021100000000, 0.0026475200000000 ] - [ -0.0000749100000000, -0.0003577800000000, -0.0007290000000000 ] - [ 0.0001810800000000, -0.0000474300000000, 0.0000452200000000 ] - [ 0.0001727700000000, -0.0003598500000000, 0.0003581200000000 ] - [ -0.0001956500000000, -0.0000787800000000, 0.0019860400000000 ] - [ 0.0004935200000000, -0.0003561300000000, -0.0011279600000000 ] - [ 0.0045338800000000, 0.0007132000000000, 0.0026674700000000 ] - [ 0.0000905800000000, -0.0003258600000000, 0.0000598700000000 ] - [ -0.0015533400000000, 0.0007197800000000, -0.0003934000000000 ] - [ 0.0003774800000000, 0.0002330600000000, 0.0005787000000000 ] - [ -0.0002238000000000, 0.0009177600000000, 0.0000088300000000 ] - [ -0.0004416900000000, 0.0003608700000000, -0.0000035900000000 ] - [ -0.0012204600000000, -0.0053393400000000, -0.0001253100000000 ] - [ 0.0021550600000000, -0.0090722500000000, -0.0017669300000000 ] - [ 0.0001392100000000, 0.0000219900000000, -0.0001106300000000 ] - [ 0.0008776000000000, -0.0029855000000000, 0.0006680900000000 ] - [ -0.0001976200000000, -0.0009843100000000, 0.0001427400000000 ] - [ -0.0001629900000000, -0.0002759900000000, -0.0005267000000000 ] - [ -0.0015130400000000, 0.0002122600000000, 0.0014059400000000 ] - [ 0.0008729700000000, -0.0002999200000000, 0.0001472000000000 ] - [ 0.0001094900000000, -0.0004613600000000, 0.0024443400000000 ] - [ -0.0001153500000000, -0.0000758200000000, -0.0002768700000000 ] - [ -0.0001516200000000, -0.0006969100000000, -0.0002498100000000 ] - [ 0.0014429500000000, 0.0005174500000000, -0.0015838400000000 ] - [ -0.0004033400000000, -0.0003369500000000, 0.0001185200000000 ] - [ 0.0003156500000000, 0.0006886200000000, -0.0000817600000000 ] - [ 0.0001936300000000, 0.0003751700000000, -0.0002330200000000 ] - [ 0.0008378700000000, 0.0002195900000000, -0.0027286700000000 ] - [ 0.0000469800000000, 0.0016724500000000, -0.0005459600000000 ] - [ 0.0003000400000000, -0.0012880500000000, -0.0012348300000000 ] - [ 0.0018463600000000, 0.0014396900000000, -0.0004280000000000 ] - [ 0.0009871400000000, -0.0009779900000000, 0.0020668000000000 ] - [ -0.0015840000000000, -0.0005576200000000, -0.0023207700000000 ] - [ -0.0020049800000000, 0.0012860700000000, -0.0013292200000000 ] - [ -0.0006662700000000, -0.0020870800000000, 0.0000714400000000 ] - [ -0.0003587800000000, 0.0002086500000000, -0.0019374800000000 ] - [ -0.0003144700000000, -0.0008831000000000, 0.0023774700000000 ] - [ -0.0003196100000000, 0.0002123500000000, 0.0000480500000000 ] - [ -0.0002565800000000, -0.0010411900000000, -0.0000830300000000 ] - [ -0.0003001200000000, 0.0001258900000000, -0.0013890300000000 ] - [ -0.0004618000000000, -0.0009762800000000, -0.0016932900000000 ] - [ 0.0004097400000000, 0.0003987300000000, 0.0008160200000000 ] - [ 0.0005718700000000, -0.0007581900000000, -0.0016982900000000 ] - [ -0.0000772500000000, 0.0001508100000000, 0.0003279100000000 ] - [ 0.0013405500000000, 0.0017522800000000, -0.0018036300000000 ] - [ 0.0044822800000000, 0.0036012600000000, 0.0012979600000000 ] - [ 0.0004322600000000, -0.0011233800000000, -0.0000144400000000 ] - [ 0.0005417400000000, 0.0006073700000000, -0.0007998700000000 ] - [ -0.0000157000000000, -0.0000614500000000, -0.0007683400000000 ] - [ -0.0000210700000000, -0.0041504300000000, -0.0041912200000000 ] - [ 0.0000963900000000, -0.0000298100000000, -0.0009034700000000 ] - [ -0.0000256000000000, 0.0007608500000000, -0.0001457400000000 ] - [ 0.0002106500000000, 0.0006885400000000, 0.0001420300000000 ] - [ 0.0001169300000000, -0.0000287700000000, 0.0004927000000000 ] - [ -0.0003778600000000, 0.0000816300000000, 0.0004761900000000 ] - [ -0.0000785100000000, -0.0001810700000000, -0.0004046700000000 ] - [ 0.0002056500000000, 0.0003637900000000, -0.0017864200000000 ] - [ 0.0003064200000000, -0.0006643400000000, -0.0000141500000000 ] - [ 0.0027341400000000, 0.0031881600000000, -0.0017139200000000 ] - [ -0.0013467600000000, -0.0027868900000000, -0.0025336000000000 ] - [ 0.0024431300000000, 0.0068691300000000, -0.0022542100000000 ] - [ -0.0031812600000000, 0.0021150700000000, -0.0047542100000000 ] - [ 0.0033817400000000, 0.0020885900000000, -0.0030114300000000 ] - [ 0.0003237700000000, 0.0007092100000000, 0.0007869300000000 ] - [ 0.0007267600000000, -0.0009516000000000, -0.0010346100000000 ] - [ 0.0006291700000000, 0.0002275500000000, 0.0005014700000000 ]- atom: 83 displacement: [ 0.0099999639143206, 0.0000000000000000, -0.0000268647033593 ] forces: - [ 0.0009076100000000, 0.0026964100000000, 0.0024977400000000 ] - [ 0.0001739200000000, 0.0000993000000000, -0.0002373000000000 ] - [ 0.0003384600000000, -0.0001433400000000, -0.0001354500000000 ] - [ -0.0000651200000000, -0.0003214900000000, -0.0000828400000000 ] - [ -0.0009887400000000, -0.0008207000000000, -0.0000234700000000 ] - [ -0.0000608700000000, -0.0002355300000000, -0.0000969400000000 ] - [ 0.0011906400000000, 0.0001901500000000, 0.0002064100000000 ] - [ 0.0003557200000000, 0.0000306100000000, 0.0001490200000000 ] - [ -0.0005014700000000, 0.0003917700000000, 0.0001169900000000 ] - [ -0.0001494400000000, 0.0001928500000000, 0.0001229300000000 ] - [ -0.0027641900000000, -0.0007978200000000, -0.0002208700000000 ] - [ 0.0003100200000000, -0.0000784700000000, -0.0000271100000000 ] - [ 0.0007980200000000, -0.0000215600000000, -0.0010928800000000 ] - [ -0.0000905300000000, 0.0000836900000000, -0.0004666500000000 ] - [ -0.0001280900000000, -0.0002032100000000, -0.0001704300000000 ] - [ -0.0035162900000000, 0.0011060100000000, 0.0025134200000000 ] - [ 0.0000570100000000, -0.0007708500000000, 0.0001061000000000 ] - [ -0.0004751900000000, -0.0004134200000000, -0.0000282100000000 ] - [ -0.0002632700000000, 0.0004305800000000, -0.0004920500000000 ] - [ 0.0006428900000000, -0.0012474900000000, 0.0003668500000000 ] - [ -0.0013182400000000, -0.0003241100000000, 0.0010867300000000 ] - [ -0.0000575700000000, 0.0002087700000000, -0.0002788800000000 ] - [ -0.0002803600000000, -0.0001663500000000, -0.0000319500000000 ] - [ 0.0002677400000000, 0.0000494200000000, 0.0001473700000000 ] - [ -0.0015097400000000, 0.0000049700000000, 0.0016885200000000 ] - [ 0.0014547500000000, -0.0007312600000000, -0.0096456000000000 ] - [ -0.0002047000000000, -0.0008552400000000, 0.0002316000000000 ] - [ -0.0001041000000000, -0.0003642600000000, -0.0005688000000000 ] - [ -0.0000719700000000, -0.0029232700000000, -0.0035562500000000 ] - [ -0.0005223500000000, -0.0008692200000000, -0.0009737900000000 ] - [ -0.0008756700000000, 0.0011632300000000, -0.0007750000000000 ] - [ 0.0009159700000000, -0.0003527600000000, 0.0026652800000000 ] - [ 0.0397741200000000, 0.0135147200000000, 0.0110181100000000 ] - [ -0.0015831200000000, 0.0000604200000000, 0.0004570300000000 ] - [ 0.0068151700000000, 0.0009248100000000, 0.0069566400000000 ] - [ -0.0030742300000000, 0.0018227500000000, -0.0019721800000000 ] - [ 0.0004646400000000, -0.0005324900000000, 0.0001741300000000 ] - [ 0.0160512600000000, 0.0064340500000000, 0.0010567200000000 ] - [ -0.0003075400000000, -0.0006530600000000, -0.0000126700000000 ] - [ -0.0001725500000000, 0.0004334600000000, -0.0000317000000000 ] - [ 0.0008654800000000, -0.0001373400000000, 0.0000517300000000 ] - [ 0.0005303400000000, 0.0010923800000000, 0.0002654700000000 ] - [ 0.0005187100000000, -0.0008443800000000, 0.0000664200000000 ] - [ -0.0007884300000000, 0.0011784800000000, 0.0004580600000000 ] - [ 0.0001184900000000, -0.0010074900000000, 0.0000929300000000 ] - [ 0.0001212200000000, 0.0000270500000000, -0.0003566600000000 ] - [ -0.0007977200000000, -0.0003633900000000, 0.0007566900000000 ] - [ -0.0004175000000000, -0.0009080200000000, 0.0003357700000000 ] - [ -0.0007319600000000, 0.0066629100000000, -0.0003171400000000 ] - [ -0.0020063700000000, 0.0011493200000000, -0.0004790000000000 ] - [ 0.0000288500000000, 0.0000393700000000, -0.0007841300000000 ] - [ 0.0001685700000000, -0.0001973800000000, 0.0002897600000000 ] - [ 0.0002996400000000, -0.0000251900000000, -0.0002286500000000 ] - [ 0.0011718900000000, 0.0011964700000000, 0.0005929000000000 ] - [ 0.0000143600000000, -0.0004862700000000, 0.0000349600000000 ] - [ 0.0000562800000000, -0.0000422500000000, -0.0000902000000000 ] - [ 0.0001527200000000, -0.0006364900000000, -0.0001929200000000 ] - [ 0.0054058800000000, 0.0027050800000000, -0.0007156200000000 ] - [ -0.0001569600000000, -0.0001276800000000, -0.0001013100000000 ] - [ 0.0008095600000000, -0.0016944600000000, -0.0002853800000000 ] - [ -0.0002502400000000, -0.0002010700000000, -0.0004950500000000 ] - [ 0.0000928500000000, 0.0002775800000000, -0.0010952600000000 ] - [ -0.0014620800000000, -0.0000763900000000, 0.0005368600000000 ] - [ 0.0000476300000000, -0.0007638800000000, 0.0000698000000000 ] - [ -0.0005099300000000, 0.0001920200000000, -0.0022676700000000 ] - [ 0.0002291200000000, -0.0003732800000000, -0.0001408800000000 ] - [ -0.0000156400000000, -0.0001729500000000, -0.0000953400000000 ] - [ 0.0006880700000000, 0.0005095300000000, -0.0000890500000000 ] - [ -0.0002833900000000, 0.0005390900000000, 0.0002007100000000 ] - [ 0.0982568800000000, 0.0737956100000000, 0.0265270100000000 ] - [ -0.0004268000000000, -0.0001409700000000, 0.0001780400000000 ] - [ 0.0002907900000000, 0.0008767900000000, -0.0000196600000000 ] - [ -0.0001157400000000, -0.0006387400000000, 0.0005196400000000 ] - [ -0.0041605600000000, 0.0023545700000000, 0.0015161000000000 ] - [ -0.0074207800000000, 0.0048831000000000, 0.0007156600000000 ] - [ -0.0025086500000000, -0.0042679300000000, 0.0000758700000000 ] - [ -0.0055142900000000, -0.0021943900000000, 0.0003071500000000 ] - [ -0.0004533500000000, -0.0004972200000000, -0.0000167400000000 ] - [ -0.0001241600000000, -0.0003162400000000, 0.0000892400000000 ] - [ -0.0005437700000000, 0.0003483100000000, -0.0000068200000000 ] - [ 0.0000842400000000, 0.0001570100000000, 0.0002639700000000 ] - [ 0.0000607400000000, 0.0001991700000000, 0.0003019900000000 ] - [ -0.1776644400000000, -0.1575024200000000, -0.0767871000000000 ] - [ -0.0007385200000000, 0.0001358000000000, -0.0002758500000000 ] - [ 0.0000218300000000, 0.0000006900000000, 0.0003995400000000 ] - [ 0.0045604600000000, -0.0011688000000000, 0.0013813800000000 ] - [ 0.0038821400000000, -0.0059187000000000, 0.0007969700000000 ] - [ -0.0001680100000000, -0.0002566800000000, -0.0001864800000000 ] - [ 0.0008726300000000, -0.0011640700000000, -0.0014619300000000 ] - [ 0.0004168600000000, -0.0002145300000000, 0.0000504800000000 ] - [ 0.0000457500000000, 0.0002882400000000, -0.0000062500000000 ] - [ 0.0001680100000000, 0.0007847200000000, -0.0001064800000000 ] - [ 0.0004627500000000, -0.0000477300000000, 0.0018622300000000 ] - [ 0.0003361300000000, 0.0001979700000000, 0.0002270700000000 ] - [ -0.0001955900000000, -0.0002213400000000, 0.0001979000000000 ] - [ 0.0001999600000000, -0.0003215800000000, -0.0001691300000000 ] - [ 0.0002586900000000, 0.0000708100000000, -0.0001309000000000 ] - [ -0.0002632300000000, -0.0013160800000000, -0.0005828100000000 ] - [ -0.0001771100000000, 0.0001361900000000, 0.0003650900000000 ] - [ -0.0003028800000000, 0.0006692900000000, -0.0000257500000000 ] - [ 0.0005330700000000, 0.0005211200000000, -0.0006125000000000 ] - [ -0.0002884900000000, 0.0002059100000000, -0.0002016500000000 ] - [ 0.0068833300000000, 0.0246762700000000, 0.0416666100000000 ] - [ 0.0019345600000000, -0.0009668200000000, 0.0010611700000000 ] - [ 0.0008724200000000, -0.0002719500000000, -0.0012739700000000 ] - [ -0.0001485100000000, 0.0005046100000000, 0.0002283400000000 ] - [ -0.0001412600000000, 0.0002004700000000, 0.0001134500000000 ] - [ 0.0003635300000000, 0.0004612500000000, -0.0004922800000000 ] - [ 0.0000699100000000, 0.0001945900000000, -0.0001316900000000 ] - [ -0.0002603900000000, 0.0005422800000000, 0.0004954700000000 ] - [ 0.0013813500000000, 0.0036757000000000, -0.0024143100000000 ] - [ 0.0003727200000000, -0.0003015200000000, 0.0000803000000000 ] - [ -0.0006407400000000, 0.0340843900000000, -0.0090128400000000 ] - [ 0.0004435500000000, -0.0087821600000000, 0.0080309700000000 ] - [ 0.0000893400000000, 0.0000480000000000, 0.0005011700000000 ] - [ -0.0000265300000000, -0.0001775000000000, 0.0005069900000000 ] - [ 0.0001718700000000, 0.0003675800000000, 0.0000037200000000 ] - [ 0.0010530800000000, 0.0000602900000000, -0.0011409300000000 ] - [ -0.0001594900000000, -0.0002470900000000, -0.0001607100000000 ] - [ -0.0002436400000000, 0.0009777500000000, 0.0001684700000000 ] - [ 0.0002002000000000, 0.0003320300000000, 0.0000629800000000 ] - [ 0.0036631100000000, -0.0009389900000000, -0.0005589400000000 ] - [ 0.0002215400000000, -0.0000271000000000, -0.0004821500000000 ] - [ 0.0005000800000000, 0.0001093500000000, 0.0001818500000000 ] - [ -0.0045962400000000, 0.0012802300000000, 0.0040182500000000 ] - [ -0.0002942000000000, -0.0001703700000000, -0.0004343900000000 ] - [ -0.0010707200000000, -0.0021069600000000, 0.0003406100000000 ] - [ 0.0000380100000000, -0.0001616200000000, -0.0001730400000000 ] - [ 0.0004411800000000, 0.0003118300000000, 0.0000863400000000 ] - [ 0.0016039800000000, -0.0008421600000000, 0.0012967200000000 ] - [ 0.0018855600000000, -0.0005789400000000, 0.0005746100000000 ] - [ -0.0000082200000000, -0.0004423800000000, 0.0007553200000000 ] - [ 0.0011247100000000, -0.0004639800000000, 0.0000868300000000 ] - [ -0.0000384100000000, 0.0010184200000000, -0.0001850200000000 ] - [ -0.0007289100000000, -0.0001293100000000, -0.0006504400000000 ] - [ -0.0011465200000000, 0.0015477400000000, 0.0002456700000000 ] - [ -0.0010583300000000, -0.0006826600000000, -0.0005636600000000 ] - [ 0.0001858000000000, -0.0001258600000000, 0.0002303000000000 ] - [ 0.0019810000000000, 0.0019138600000000, -0.0000486200000000 ] - [ -0.0007998700000000, 0.0000381300000000, -0.0001896900000000 ] - [ -0.0005646100000000, 0.0004752700000000, 0.0003019600000000 ] - [ -0.0008671700000000, 0.0002814000000000, -0.0000650100000000 ] - [ -0.0000355000000000, 0.0003777000000000, -0.0002719400000000 ] - [ -0.0003767000000000, 0.0003055400000000, 0.0002625700000000 ] - [ 0.0002541600000000, 0.0005739100000000, 0.0001746300000000 ] - [ 0.0003923600000000, 0.0002541100000000, -0.0001078600000000 ] - [ -0.0004564800000000, -0.0003948700000000, 0.0000622600000000 ] - [ 0.0072107300000000, 0.0016896600000000, 0.0065128700000000 ] - [ 0.0007258800000000, -0.0025003200000000, 0.0002632100000000 ] - [ 0.0003457600000000, -0.0001697600000000, 0.0002437800000000 ] - [ 0.0000820400000000, -0.0000662100000000, -0.0004702000000000 ] - [ -0.0000018300000000, 0.0003282100000000, -0.0004459400000000 ] - [ 0.0004467900000000, -0.0003672500000000, 0.0004172500000000 ] - [ -0.0031312200000000, -0.0006037600000000, 0.0000266300000000 ] - [ -0.0001550400000000, 0.0000647100000000, 0.0002162400000000 ] - [ -0.0000591000000000, 0.0004760400000000, 0.0002576300000000 ] - [ -0.0021829500000000, -0.0027841400000000, -0.0002640700000000 ] - [ 0.0004018000000000, 0.0001069000000000, 0.0006026100000000 ] - [ 0.0000289600000000, -0.0001062200000000, -0.0000885600000000 ] - [ 0.0002181700000000, 0.0000614900000000, -0.0001478700000000 ] - [ -0.0003136000000000, -0.0005638300000000, 0.0031173300000000 ] - [ -0.0018195000000000, -0.0016244500000000, -0.0008741100000000 ] - [ -0.0000658300000000, 0.0018504500000000, 0.0008991500000000 ] - [ 0.0028522600000000, -0.0017970300000000, -0.0030807300000000 ] - [ 0.0106732600000000, -0.0060127100000000, -0.0041455400000000 ] - [ -0.0004756400000000, -0.0000688800000000, -0.0006439900000000 ] - [ -0.0002289500000000, 0.0001316700000000, 0.0022026000000000 ] - [ 0.0017030600000000, -0.0005992200000000, -0.0001713100000000 ] - [ 0.0002630500000000, 0.0008996100000000, 0.0002443200000000 ] - [ 0.0006646400000000, -0.0000736000000000, -0.0000906100000000 ] - [ -0.0003471300000000, 0.0005862100000000, 0.0001168600000000 ] - [ 0.0001775500000000, 0.0001646100000000, -0.0002030700000000 ] - [ -0.0003208300000000, 0.0008754400000000, -0.0002149300000000 ] - [ 0.0006727000000000, 0.0054365600000000, -0.0003620800000000 ] - [ 0.0000427500000000, -0.0000653300000000, -0.0001124200000000 ] - [ 0.0054107500000000, 0.0139693200000000, -0.0088288100000000 ]- atom: 83 displacement: [ -0.0099999639143206, 0.0000000000000000, 0.0000268647033593 ] forces: - [ -0.0006889200000000, -0.0029030000000000, -0.0023025800000000 ] - [ -0.0002990900000000, 0.0003374300000000, 0.0001775500000000 ] - [ 0.0002755800000000, 0.0001323400000000, -0.0000130200000000 ] - [ 0.0001565400000000, -0.0003422100000000, 0.0003601200000000 ] - [ 0.0008898400000000, 0.0001509500000000, -0.0002532100000000 ] - [ -0.0001288300000000, 0.0000216800000000, -0.0000884100000000 ] - [ -0.0013740700000000, 0.0000283100000000, -0.0003847100000000 ] - [ 0.0005101600000000, 0.0003042400000000, 0.0000678300000000 ] - [ 0.0005558100000000, -0.0004903500000000, -0.0002291000000000 ] - [ 0.0000892700000000, -0.0000889000000000, -0.0000079600000000 ] - [ 0.0028341700000000, 0.0014570100000000, 0.0004971800000000 ] - [ -0.0001820900000000, -0.0003597500000000, 0.0000823600000000 ] - [ 0.0000743000000000, -0.0003113800000000, 0.0012976400000000 ] - [ 0.0001489600000000, 0.0000203300000000, 0.0003491000000000 ] - [ 0.0000687500000000, 0.0000971400000000, 0.0002801700000000 ] - [ 0.0027605400000000, -0.0010975000000000, -0.0023348100000000 ] - [ -0.0001822400000000, 0.0003295600000000, -0.0001615400000000 ] - [ -0.0003919900000000, 0.0000750200000000, -0.0001876700000000 ] - [ -0.0006025900000000, -0.0000926100000000, 0.0002672600000000 ] - [ -0.0005092800000000, 0.0016651100000000, -0.0003057100000000 ] - [ 0.0019235500000000, 0.0003289500000000, -0.0012200100000000 ] - [ -0.0000349200000000, 0.0004542500000000, -0.0000023600000000 ] - [ -0.0003334000000000, 0.0001747100000000, 0.0001783600000000 ] - [ -0.0000764700000000, 0.0001630600000000, 0.0000371000000000 ] - [ 0.0020200400000000, -0.0003272500000000, -0.0007538600000000 ] - [ -0.0013749800000000, 0.0002346400000000, 0.0098466100000000 ] - [ -0.0001673500000000, -0.0001731400000000, 0.0004313100000000 ] - [ -0.0004207400000000, 0.0000455000000000, -0.0003521000000000 ] - [ 0.0000108200000000, 0.0033553700000000, 0.0032335000000000 ] - [ 0.0007040400000000, 0.0011754200000000, 0.0000973000000000 ] - [ 0.0006789800000000, -0.0008385600000000, 0.0016393100000000 ] - [ -0.0007848100000000, 0.0007299200000000, -0.0025653600000000 ] - [ -0.0379553600000000, -0.0116078700000000, -0.0092593000000000 ] - [ 0.0010450400000000, 0.0002484000000000, -0.0013745100000000 ] - [ -0.0068994300000000, -0.0013085500000000, -0.0069488100000000 ] - [ 0.0032384100000000, -0.0021036600000000, 0.0010778900000000 ] - [ -0.0000654800000000, 0.0007118000000000, -0.0002588500000000 ] - [ -0.0156568200000000, -0.0073248400000000, -0.0018096400000000 ] - [ 0.0002358000000000, 0.0001768900000000, -0.0002737600000000 ] - [ 0.0005694800000000, -0.0006117800000000, -0.0000602100000000 ] - [ -0.0009756800000000, 0.0005095900000000, -0.0001394800000000 ] - [ -0.0000038700000000, -0.0007660500000000, 0.0006532900000000 ] - [ -0.0003988700000000, 0.0004625700000000, 0.0000219400000000 ] - [ 0.0003784100000000, -0.0009835200000000, -0.0003825200000000 ] - [ -0.0005126400000000, 0.0008165400000000, -0.0000049000000000 ] - [ 0.0002502900000000, 0.0009936100000000, -0.0003079400000000 ] - [ 0.0008596800000000, 0.0008319600000000, -0.0004620700000000 ] - [ 0.0002289600000000, 0.0005861300000000, 0.0005337100000000 ] - [ 0.0004148700000000, -0.0071022200000000, 0.0002631600000000 ] - [ 0.0020513100000000, -0.0007485900000000, 0.0006455200000000 ] - [ 0.0004208300000000, 0.0000305500000000, 0.0000866700000000 ] - [ 0.0001261900000000, 0.0000624900000000, 0.0002543800000000 ] - [ 0.0001214700000000, 0.0006843400000000, -0.0000113900000000 ] - [ -0.0015643200000000, -0.0005234900000000, -0.0003573600000000 ] - [ 0.0003000600000000, 0.0000060400000000, 0.0000184600000000 ] - [ 0.0002416200000000, -0.0007334500000000, -0.0003638900000000 ] - [ -0.0001177600000000, 0.0012389500000000, -0.0000242900000000 ] - [ -0.0049617000000000, -0.0033335000000000, 0.0004747700000000 ] - [ 0.0000839500000000, 0.0005211600000000, -0.0000672000000000 ] - [ -0.0008344600000000, 0.0010735700000000, 0.0004990900000000 ] - [ -0.0000441000000000, 0.0003320400000000, -0.0000499000000000 ] - [ 0.0002001100000000, -0.0001422100000000, 0.0016230500000000 ] - [ 0.0014125100000000, 0.0006940700000000, -0.0003143700000000 ] - [ -0.0004659400000000, 0.0000985500000000, 0.0001682700000000 ] - [ 0.0002156000000000, -0.0003213200000000, 0.0017035800000000 ] - [ 0.0000245000000000, 0.0001121500000000, -0.0000019100000000 ] - [ -0.0002371500000000, 0.0004305600000000, 0.0002357500000000 ] - [ -0.0003845500000000, 0.0002709300000000, -0.0003645500000000 ] - [ -0.0000197200000000, 0.0002400400000000, 0.0002483300000000 ] - [ -0.0991650100000000, -0.0774650400000000, -0.0280289000000000 ] - [ -0.0000241700000000, 0.0000713400000000, 0.0005137100000000 ] - [ 0.0000167700000000, -0.0003812600000000, 0.0000731800000000 ] - [ -0.0001841600000000, -0.0001430700000000, -0.0000619200000000 ] - [ 0.0036862500000000, -0.0022679400000000, -0.0008096600000000 ] - [ 0.0077992600000000, -0.0049016300000000, -0.0013890100000000 ] - [ 0.0022674200000000, 0.0040185900000000, 0.0001134300000000 ] - [ 0.0053957000000000, 0.0017661500000000, -0.0004710400000000 ] - [ 0.0004839800000000, -0.0001154500000000, -0.0001991800000000 ] - [ 0.0001946900000000, -0.0000808300000000, 0.0000790600000000 ] - [ 0.0002237700000000, 0.0001279700000000, -0.0000467300000000 ] - [ 0.0003949900000000, 0.0006393200000000, -0.0001976900000000 ] - [ -0.0001916500000000, -0.0002160900000000, 0.0005291200000000 ] - [ 0.1754594700000000, 0.1604116400000000, 0.0778340000000000 ] - [ 0.0004615300000000, 0.0006301800000000, 0.0000329300000000 ] - [ 0.0000465400000000, -0.0001205300000000, 0.0002648800000000 ] - [ -0.0040443300000000, 0.0012160900000000, -0.0011566500000000 ] - [ -0.0033565100000000, 0.0058073200000000, -0.0010795800000000 ] - [ -0.0003899900000000, 0.0003396700000000, -0.0000188100000000 ] - [ -0.0012536000000000, 0.0010904500000000, 0.0018582700000000 ] - [ 0.0000593700000000, -0.0005832200000000, 0.0000155500000000 ] - [ 0.0001833500000000, -0.0001484100000000, 0.0002843800000000 ] - [ -0.0004440800000000, 0.0003007500000000, 0.0004527600000000 ] - [ -0.0009404600000000, 0.0005543000000000, -0.0010128900000000 ] - [ 0.0002348600000000, -0.0002237400000000, 0.0003452100000000 ] - [ 0.0000432600000000, -0.0009558500000000, 0.0001399500000000 ] - [ 0.0000201400000000, -0.0008008400000000, -0.0001988300000000 ] - [ 0.0000113700000000, 0.0007051600000000, 0.0003725700000000 ] - [ 0.0004075500000000, 0.0001293600000000, 0.0002453900000000 ] - [ -0.0002137600000000, -0.0000672900000000, 0.0000504000000000 ] - [ -0.0000857600000000, 0.0001986100000000, -0.0000331700000000 ] - [ -0.0003978000000000, -0.0004973100000000, -0.0002232700000000 ] - [ -0.0002827300000000, -0.0001765200000000, -0.0003700800000000 ] - [ -0.0060168000000000, -0.0248386600000000, -0.0412690300000000 ] - [ -0.0021329500000000, -0.0001588800000000, -0.0006809600000000 ] - [ -0.0005884200000000, -0.0008094100000000, 0.0009122600000000 ] - [ -0.0000914300000000, -0.0004097500000000, -0.0000328400000000 ] - [ -0.0003418100000000, -0.0001276100000000, -0.0003248500000000 ] - [ 0.0001186100000000, 0.0000514900000000, -0.0003449400000000 ] - [ 0.0001669900000000, -0.0002827300000000, -0.0000634000000000 ] - [ -0.0000732400000000, 0.0000039700000000, 0.0000934500000000 ] - [ -0.0017104500000000, -0.0042033800000000, 0.0029744000000000 ] - [ 0.0001957600000000, 0.0002098400000000, 0.0001305000000000 ] - [ 0.0012639300000000, -0.0335842200000000, 0.0083854100000000 ] - [ -0.0004024200000000, 0.0088341900000000, -0.0073054300000000 ] - [ -0.0005664800000000, -0.0005555400000000, 0.0003367700000000 ] - [ 0.0002614500000000, 0.0002644500000000, -0.0006940400000000 ] - [ 0.0003928900000000, -0.0002754200000000, 0.0002012800000000 ] - [ -0.0007166000000000, 0.0000663200000000, 0.0014674000000000 ] - [ -0.0001119700000000, -0.0005247400000000, -0.0000824400000000 ] - [ 0.0005663900000000, -0.0011103300000000, 0.0001634600000000 ] - [ -0.0006714700000000, 0.0004699400000000, -0.0001276100000000 ] - [ -0.0039100200000000, 0.0006965200000000, 0.0008973500000000 ] - [ -0.0005469500000000, -0.0001134100000000, 0.0001476000000000 ] - [ -0.0002798100000000, 0.0002204100000000, -0.0000638200000000 ] - [ 0.0041545900000000, -0.0021427800000000, -0.0040574300000000 ] - [ 0.0000602000000000, 0.0000322700000000, 0.0001481900000000 ] - [ 0.0009868900000000, 0.0019470500000000, -0.0009859200000000 ] - [ -0.0002679600000000, 0.0002978300000000, -0.0001092900000000 ] - [ 0.0005014200000000, -0.0001673900000000, 0.0000370300000000 ] - [ -0.0006105400000000, 0.0014283600000000, -0.0014079000000000 ] - [ -0.0023584200000000, 0.0005020900000000, -0.0007917200000000 ] - [ -0.0002277800000000, 0.0003484600000000, -0.0005530800000000 ] - [ -0.0013276600000000, 0.0001263200000000, -0.0002028100000000 ] - [ 0.0001892800000000, 0.0001628600000000, -0.0001541100000000 ] - [ -0.0002229700000000, 0.0002718100000000, 0.0005235900000000 ] - [ 0.0014161300000000, -0.0004553800000000, -0.0005919800000000 ] - [ 0.0019954500000000, 0.0005364500000000, 0.0006890900000000 ] - [ 0.0002062100000000, 0.0000579400000000, -0.0006421300000000 ] - [ -0.0017474500000000, -0.0007641200000000, -0.0003185500000000 ] - [ -0.0001410500000000, -0.0001772800000000, 0.0000660200000000 ] - [ 0.0002839000000000, -0.0015508300000000, 0.0000466900000000 ] - [ 0.0002984400000000, -0.0003672400000000, -0.0001429800000000 ] - [ -0.0000330700000000, -0.0002507400000000, -0.0003909500000000 ] - [ -0.0001774200000000, -0.0001312500000000, 0.0002108300000000 ] - [ -0.0004703200000000, 0.0005491400000000, 0.0001930500000000 ] - [ 0.0000952500000000, -0.0001476300000000, -0.0001433800000000 ] - [ 0.0002201000000000, 0.0002584100000000, 0.0003620300000000 ] - [ -0.0080815400000000, -0.0022570400000000, -0.0062888200000000 ] - [ -0.0011990400000000, 0.0016847800000000, -0.0003256200000000 ] - [ -0.0001128800000000, 0.0000324200000000, 0.0000438100000000 ] - [ 0.0001498300000000, -0.0000660900000000, 0.0000494400000000 ] - [ 0.0002341800000000, -0.0001923000000000, 0.0000181000000000 ] - [ 0.0000385000000000, -0.0001442700000000, -0.0012434800000000 ] - [ 0.0034883000000000, 0.0014697400000000, 0.0000532000000000 ] - [ -0.0003318600000000, -0.0001696400000000, 0.0000371600000000 ] - [ -0.0002172800000000, -0.0002345200000000, 0.0000744700000000 ] - [ 0.0024359000000000, 0.0019914300000000, 0.0005037000000000 ] - [ 0.0000870800000000, -0.0001761100000000, -0.0003813500000000 ] - [ 0.0003025800000000, -0.0004345600000000, -0.0004951700000000 ] - [ 0.0000595200000000, -0.0002990700000000, -0.0001835300000000 ] - [ 0.0004441300000000, 0.0005432400000000, -0.0039288700000000 ] - [ 0.0016670000000000, 0.0027790900000000, 0.0012055100000000 ] - [ -0.0001521200000000, -0.0015067000000000, -0.0010085600000000 ] - [ -0.0024339700000000, 0.0018428000000000, 0.0026264900000000 ] - [ -0.0110405800000000, 0.0060437500000000, 0.0043364400000000 ] - [ 0.0002385100000000, 0.0002040500000000, 0.0010621300000000 ] - [ 0.0000944400000000, -0.0001116100000000, -0.0013518400000000 ] - [ -0.0014100600000000, 0.0008317300000000, -0.0001617100000000 ] - [ -0.0000450200000000, -0.0012202500000000, -0.0001257900000000 ] - [ 0.0002999300000000, -0.0005105600000000, -0.0000417300000000 ] - [ -0.0006141300000000, 0.0000015400000000, 0.0000155900000000 ] - [ 0.0003745900000000, -0.0003345400000000, -0.0002688700000000 ] - [ -0.0000060300000000, -0.0007293700000000, -0.0001179000000000 ] - [ -0.0012493600000000, -0.0053930000000000, -0.0002520900000000 ] - [ 0.0003427800000000, -0.0007978200000000, 0.0001708900000000 ] - [ -0.0048788800000000, -0.0136746100000000, 0.0082149000000000 ]- atom: 83 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0023174600000000, 0.0002905000000000, -0.0011147900000000 ] - [ 0.0000460300000000, -0.0001353500000000, -0.0004127200000000 ] - [ 0.0003534300000000, -0.0004644000000000, -0.0000728400000000 ] - [ 0.0000217000000000, -0.0003764000000000, 0.0001801800000000 ] - [ -0.0003468000000000, -0.0009589800000000, -0.0002698000000000 ] - [ -0.0001005800000000, -0.0005392500000000, -0.0000079200000000 ] - [ 0.0002684600000000, -0.0026473500000000, -0.0007866800000000 ] - [ 0.0003855100000000, -0.0003216300000000, 0.0000546500000000 ] - [ -0.0002757300000000, -0.0000684200000000, -0.0000272400000000 ] - [ 0.0000027100000000, -0.0006757800000000, 0.0001293700000000 ] - [ -0.0029310600000000, -0.0004310000000000, -0.0010304400000000 ] - [ 0.0002147900000000, 0.0001783300000000, 0.0000166700000000 ] - [ 0.0003908000000000, 0.0009418900000000, -0.0002580400000000 ] - [ -0.0000106200000000, 0.0001998500000000, -0.0001295900000000 ] - [ -0.0000673800000000, -0.0003035200000000, -0.0000245700000000 ] - [ -0.0000094000000000, 0.0044351300000000, -0.0000489500000000 ] - [ -0.0000417200000000, -0.0010773000000000, 0.0000075800000000 ] - [ -0.0004764600000000, -0.0008492200000000, -0.0000689500000000 ] - [ -0.0003889500000000, 0.0008090900000000, 0.0001597500000000 ] - [ 0.0006929800000000, -0.0029451900000000, 0.0002188500000000 ] - [ -0.0004785300000000, 0.0007605000000000, 0.0005424800000000 ] - [ -0.0000219700000000, -0.0000027400000000, -0.0001434500000000 ] - [ -0.0002725900000000, -0.0004161600000000, -0.0000013600000000 ] - [ 0.0001909400000000, -0.0002664500000000, 0.0004801800000000 ] - [ -0.0008375600000000, 0.0011026200000000, 0.0002545100000000 ] - [ 0.0011400100000000, 0.0007953900000000, -0.0095603900000000 ] - [ -0.0002706600000000, -0.0016728300000000, 0.0003322800000000 ] - [ -0.0000453400000000, -0.0019431800000000, -0.0002736600000000 ] - [ -0.0017104500000000, -0.0019590800000000, -0.0024515900000000 ] - [ -0.0003678800000000, -0.0013250900000000, -0.0012495400000000 ] - [ 0.0002872100000000, 0.0009660700000000, 0.0020968100000000 ] - [ -0.0007095800000000, -0.0004680200000000, 0.0030061200000000 ] - [ 0.0085959100000000, 0.0179234100000000, 0.0018654900000000 ] - [ 0.0003000500000000, -0.0005355000000000, -0.0019201500000000 ] - [ 0.0020856200000000, 0.0040047800000000, 0.0145141400000000 ] - [ -0.0006796500000000, 0.0030329200000000, -0.0006304500000000 ] - [ 0.0004447500000000, -0.0018988100000000, 0.0000173900000000 ] - [ 0.0041800100000000, 0.0128332500000000, 0.0030875700000000 ] - [ -0.0002118400000000, -0.0016188600000000, 0.0001064700000000 ] - [ -0.0000587000000000, 0.0016325800000000, 0.0001312200000000 ] - [ 0.0006273100000000, -0.0007628500000000, -0.0005686100000000 ] - [ 0.0010788800000000, -0.0011806200000000, 0.0008704200000000 ] - [ 0.0002121300000000, -0.0019897500000000, -0.0001503400000000 ] - [ 0.0004317400000000, 0.0032043100000000, -0.0005031600000000 ] - [ 0.0000867700000000, -0.0021653000000000, -0.0002690100000000 ] - [ 0.0000989900000000, -0.0009851400000000, -0.0002248600000000 ] - [ -0.0011036000000000, -0.0014789600000000, 0.0012530800000000 ] - [ -0.0002173300000000, -0.0018471800000000, 0.0002679300000000 ] - [ 0.0015630700000000, -0.0001552200000000, -0.0000052000000000 ] - [ -0.0001745500000000, 0.0035879800000000, -0.0004721000000000 ] - [ -0.0001893000000000, -0.0002856400000000, -0.0001721100000000 ] - [ 0.0005563200000000, -0.0005421400000000, 0.0000609800000000 ] - [ 0.0001836800000000, -0.0006832500000000, -0.0004098900000000 ] - [ -0.0000261200000000, 0.0021194600000000, 0.0002660700000000 ] - [ 0.0001724200000000, -0.0013690100000000, -0.0000770900000000 ] - [ -0.0006395600000000, 0.0012928100000000, 0.0008004700000000 ] - [ -0.0001045100000000, -0.0011748200000000, -0.0001355200000000 ] - [ 0.0039692600000000, 0.0024686700000000, -0.0054037700000000 ] - [ -0.0001331000000000, -0.0008906500000000, -0.0000938800000000 ] - [ 0.0006016800000000, -0.0017138200000000, -0.0002989000000000 ] - [ -0.0000117200000000, -0.0005808500000000, -0.0011117400000000 ] - [ 0.0004349200000000, 0.0004508200000000, -0.0005431300000000 ] - [ -0.0021973800000000, 0.0011972000000000, 0.0011769700000000 ] - [ -0.0001784300000000, -0.0016864800000000, -0.0001394300000000 ] - [ 0.0002894700000000, 0.0005118300000000, -0.0012434300000000 ] - [ 0.0004019700000000, -0.0006747600000000, 0.0000764100000000 ] - [ 0.0001993800000000, -0.0006642100000000, -0.0001373800000000 ] - [ 0.0002811300000000, -0.0001535100000000, 0.0000689000000000 ] - [ -0.0004446700000000, 0.0006694600000000, 0.0002572200000000 ] - [ 0.0756281100000000, 0.1738412100000000, 0.0397507400000000 ] - [ -0.0006435300000000, -0.0004584500000000, 0.0005206800000000 ] - [ 0.0008815900000000, -0.0016688300000000, 0.0003112900000000 ] - [ -0.0006158700000000, -0.0013076900000000, 0.0008201000000000 ] - [ 0.0039915800000000, -0.0023620500000000, -0.0010227900000000 ] - [ -0.0029641000000000, 0.0019968100000000, 0.0000307000000000 ] - [ -0.0034336200000000, -0.0059547900000000, -0.0023810700000000 ] - [ -0.0019947200000000, -0.0001388500000000, 0.0001019100000000 ] - [ -0.0001463200000000, -0.0006253600000000, 0.0000666200000000 ] - [ -0.0000749500000000, -0.0011411000000000, 0.0001030500000000 ] - [ -0.0004196500000000, -0.0000137900000000, -0.0000304400000000 ] - [ -0.0001617200000000, 0.0013706800000000, -0.0003279000000000 ] - [ -0.0000717500000000, 0.0005696800000000, 0.0004971900000000 ] - [ -0.1554815500000000, -0.2605634900000000, -0.0547437600000000 ] - [ -0.0002126500000000, 0.0018449800000000, -0.0004382100000000 ] - [ -0.0000042400000000, 0.0004284800000000, 0.0005006000000000 ] - [ 0.0019495700000000, -0.0014298400000000, 0.0003273100000000 ] - [ -0.0070956600000000, 0.0046144900000000, -0.0013939700000000 ] - [ 0.0002446300000000, -0.0012764200000000, -0.0001217700000000 ] - [ -0.0012323800000000, 0.0009334400000000, 0.0017426300000000 ] - [ 0.0002281200000000, 0.0003679100000000, 0.0001555900000000 ] - [ 0.0002386300000000, 0.0009340100000000, 0.0000375900000000 ] - [ 0.0002170800000000, 0.0012019500000000, -0.0000751600000000 ] - [ -0.0002561100000000, -0.0003527900000000, 0.0006905000000000 ] - [ 0.0002981500000000, 0.0005869200000000, -0.0000956900000000 ] - [ -0.0001481300000000, 0.0004468900000000, 0.0003900900000000 ] - [ 0.0000769800000000, 0.0003529600000000, -0.0002339200000000 ] - [ 0.0000279000000000, 0.0002319600000000, 0.0002558000000000 ] - [ 0.0001488600000000, -0.0022699700000000, -0.0007199100000000 ] - [ -0.0001006700000000, 0.0004938400000000, -0.0000929500000000 ] - [ -0.0004123300000000, 0.0011076800000000, -0.0000447700000000 ] - [ 0.0006736500000000, 0.0011660900000000, -0.0003518800000000 ] - [ -0.0003727000000000, 0.0006027800000000, -0.0003234600000000 ] - [ 0.0230797200000000, 0.0025806000000000, 0.0371081300000000 ] - [ 0.0013982400000000, -0.0026450900000000, 0.0016228600000000 ] - [ 0.0017888500000000, 0.0000715200000000, -0.0023672700000000 ] - [ -0.0004761900000000, 0.0010453100000000, 0.0005955900000000 ] - [ -0.0001430400000000, 0.0004564800000000, 0.0000133000000000 ] - [ 0.0001436400000000, 0.0008634300000000, -0.0003886700000000 ] - [ -0.0002745300000000, 0.0006754900000000, 0.0000293900000000 ] - [ -0.0002736700000000, 0.0009524200000000, 0.0006340900000000 ] - [ 0.0012270700000000, 0.0036768800000000, -0.0013012400000000 ] - [ 0.0003998000000000, -0.0006669900000000, 0.0002751500000000 ] - [ 0.0327119000000000, 0.0458610400000000, -0.0160550700000000 ] - [ -0.0039782000000000, -0.0026233800000000, -0.0019360100000000 ] - [ 0.0000053400000000, 0.0003862900000000, 0.0008780800000000 ] - [ -0.0002267700000000, -0.0005336800000000, 0.0001891600000000 ] - [ 0.0005424400000000, 0.0010538000000000, 0.0000926200000000 ] - [ 0.0015024000000000, -0.0020635100000000, -0.0015013300000000 ] - [ -0.0002508900000000, 0.0006619200000000, 0.0001554200000000 ] - [ -0.0001801400000000, 0.0011827200000000, 0.0002139400000000 ] - [ 0.0000351200000000, 0.0003551500000000, 0.0001315300000000 ] - [ 0.0009400400000000, -0.0014764200000000, 0.0004636400000000 ] - [ 0.0000917900000000, -0.0001653400000000, -0.0006765100000000 ] - [ 0.0001171200000000, 0.0006117600000000, -0.0000878500000000 ] - [ -0.0000816100000000, 0.0016383100000000, 0.0062660600000000 ] - [ -0.0002358500000000, 0.0005530700000000, -0.0003002100000000 ] - [ -0.0000778500000000, 0.0030827000000000, -0.0021710400000000 ] - [ 0.0000337400000000, -0.0009180900000000, -0.0005468800000000 ] - [ 0.0007729400000000, 0.0009559800000000, 0.0001640600000000 ] - [ -0.0010919200000000, -0.0030912900000000, -0.0007829600000000 ] - [ -0.0022648800000000, 0.0007130000000000, -0.0015780900000000 ] - [ -0.0006678600000000, -0.0011868000000000, 0.0004345400000000 ] - [ 0.0011685700000000, -0.0006132000000000, -0.0001881600000000 ] - [ 0.0000478800000000, 0.0019903700000000, -0.0000614300000000 ] - [ -0.0000298700000000, -0.0011156500000000, -0.0000198100000000 ] - [ -0.0005549100000000, 0.0013317000000000, 0.0005959000000000 ] - [ -0.0008630900000000, -0.0006018900000000, 0.0016898500000000 ] - [ 0.0002054800000000, 0.0002610800000000, -0.0005570200000000 ] - [ 0.0008501500000000, 0.0004424600000000, 0.0001008300000000 ] - [ -0.0004141600000000, 0.0009305600000000, -0.0002032800000000 ] - [ -0.0000216500000000, 0.0009200100000000, 0.0004440900000000 ] - [ -0.0005785200000000, 0.0010713000000000, 0.0001402800000000 ] - [ -0.0000200400000000, 0.0011605400000000, -0.0001448600000000 ] - [ -0.0005091700000000, 0.0006918500000000, 0.0001730000000000 ] - [ 0.0000003800000000, 0.0012832300000000, 0.0000656000000000 ] - [ 0.0006306700000000, 0.0006709800000000, -0.0002848900000000 ] - [ -0.0003991700000000, 0.0005399900000000, 0.0003613600000000 ] - [ 0.0027418600000000, -0.0005916400000000, 0.0030653500000000 ] - [ -0.0015216300000000, -0.0004870500000000, 0.0001687500000000 ] - [ 0.0001416900000000, -0.0005231000000000, 0.0006041400000000 ] - [ 0.0002205500000000, -0.0000405000000000, -0.0007630000000000 ] - [ 0.0002147600000000, 0.0012401600000000, -0.0005159500000000 ] - [ 0.0002830900000000, -0.0003568000000000, -0.0003308100000000 ] - [ -0.0010859800000000, -0.0028925000000000, -0.0002091600000000 ] - [ 0.0001469100000000, 0.0005180600000000, -0.0000590500000000 ] - [ -0.0000044900000000, 0.0010244600000000, 0.0003398200000000 ] - [ -0.0019241000000000, 0.0000464600000000, -0.0011570500000000 ] - [ 0.0003219000000000, 0.0002407600000000, 0.0003108400000000 ] - [ 0.0000103800000000, -0.0000077200000000, -0.0000703300000000 ] - [ 0.0002472800000000, 0.0007877200000000, -0.0001178800000000 ] - [ -0.0002992400000000, -0.0008147900000000, 0.0017660200000000 ] - [ -0.0009357500000000, -0.0042741600000000, 0.0013858600000000 ] - [ -0.0001499400000000, 0.0014416600000000, 0.0010225500000000 ] - [ 0.0015618500000000, -0.0013667500000000, -0.0010869000000000 ] - [ 0.0035375500000000, -0.0049665000000000, -0.0021674100000000 ] - [ -0.0000963300000000, -0.0006983600000000, -0.0024841600000000 ] - [ -0.0000023300000000, 0.0000413300000000, 0.0017392400000000 ] - [ 0.0006461500000000, -0.0015015700000000, -0.0003497900000000 ] - [ 0.0003137600000000, 0.0011061700000000, 0.0002231100000000 ] - [ 0.0004885000000000, 0.0005870400000000, -0.0001611600000000 ] - [ -0.0004366500000000, 0.0010772400000000, 0.0000959700000000 ] - [ 0.0000414700000000, 0.0006072400000000, -0.0002367900000000 ] - [ -0.0002581200000000, 0.0014415600000000, -0.0002802500000000 ] - [ 0.0013390100000000, 0.0017648700000000, 0.0016326900000000 ] - [ 0.0000557700000000, 0.0004942300000000, -0.0002612600000000 ] - [ 0.0141868300000000, 0.0110783600000000, -0.0075515400000000 ]- atom: 83 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0021278800000000, -0.0005257900000000, 0.0012950400000000 ] - [ -0.0001776600000000, 0.0005812800000000, 0.0003596900000000 ] - [ 0.0002661200000000, 0.0004556400000000, -0.0000690500000000 ] - [ 0.0000711700000000, -0.0002920300000000, 0.0000967900000000 ] - [ 0.0002564900000000, 0.0002935600000000, -0.0000087200000000 ] - [ -0.0000891800000000, 0.0003222800000000, -0.0001797800000000 ] - [ -0.0004580400000000, 0.0028521500000000, 0.0005934700000000 ] - [ 0.0004850000000000, 0.0006609500000000, 0.0001659400000000 ] - [ 0.0003387800000000, -0.0000429000000000, -0.0000901100000000 ] - [ -0.0000622700000000, 0.0007849800000000, -0.0000124800000000 ] - [ 0.0030328500000000, 0.0010987700000000, 0.0013181700000000 ] - [ -0.0000827600000000, -0.0006236100000000, 0.0000358300000000 ] - [ 0.0004800600000000, -0.0012797700000000, 0.0004831900000000 ] - [ 0.0000703700000000, -0.0000914300000000, 0.0000129300000000 ] - [ 0.0000074100000000, 0.0001955400000000, 0.0001419500000000 ] - [ -0.0006199500000000, -0.0044538800000000, 0.0001921700000000 ] - [ -0.0000904000000000, 0.0006342600000000, -0.0000611100000000 ] - [ -0.0003933100000000, 0.0005118900000000, -0.0001518700000000 ] - [ -0.0004818000000000, -0.0004694900000000, -0.0003788500000000 ] - [ -0.0005660900000000, 0.0034032300000000, -0.0001647700000000 ] - [ 0.0011005400000000, -0.0007472000000000, -0.0006870600000000 ] - [ -0.0000700600000000, 0.0006711900000000, -0.0001337800000000 ] - [ -0.0003468300000000, 0.0004256400000000, 0.0001432700000000 ] - [ -0.0000025200000000, 0.0004847900000000, -0.0002941600000000 ] - [ 0.0013497400000000, -0.0014297900000000, 0.0006458400000000 ] - [ -0.0010560100000000, -0.0012716300000000, 0.0098265600000000 ] - [ -0.0001196100000000, 0.0006475800000000, 0.0003350900000000 ] - [ -0.0004643100000000, 0.0016199600000000, -0.0006293900000000 ] - [ 0.0016210800000000, 0.0024450600000000, 0.0021764000000000 ] - [ 0.0005497400000000, 0.0016427300000000, 0.0003944800000000 ] - [ -0.0004687400000000, -0.0006476400000000, -0.0012330700000000 ] - [ 0.0008245200000000, 0.0008377300000000, -0.0029271400000000 ] - [ -0.0088411600000000, -0.0169765500000000, -0.0011438400000000 ] - [ -0.0008073400000000, 0.0008660200000000, 0.0010115400000000 ] - [ -0.0022472800000000, -0.0044439100000000, -0.0146303500000000 ] - [ 0.0008743300000000, -0.0033612800000000, -0.0002223800000000 ] - [ -0.0000712700000000, 0.0020865100000000, -0.0001184700000000 ] - [ -0.0038537700000000, -0.0137024000000000, -0.0040709800000000 ] - [ 0.0001271200000000, 0.0011430400000000, -0.0003875800000000 ] - [ 0.0004348800000000, -0.0018160100000000, -0.0002292400000000 ] - [ -0.0007410300000000, 0.0011300900000000, 0.0004932200000000 ] - [ -0.0005731100000000, 0.0015006400000000, 0.0000339100000000 ] - [ -0.0000991300000000, 0.0016226600000000, 0.0002237200000000 ] - [ -0.0008156700000000, -0.0030248100000000, 0.0006069100000000 ] - [ -0.0004623900000000, 0.0019824600000000, 0.0003722300000000 ] - [ 0.0002918200000000, 0.0020137400000000, -0.0004436300000000 ] - [ 0.0011963200000000, 0.0019625100000000, -0.0009763700000000 ] - [ 0.0000353800000000, 0.0015317300000000, 0.0005888000000000 ] - [ -0.0018953700000000, -0.0003624400000000, -0.0000407500000000 ] - [ 0.0002407200000000, -0.0032042300000000, 0.0006352400000000 ] - [ 0.0006270800000000, 0.0003641100000000, -0.0005260300000000 ] - [ -0.0002641900000000, 0.0003996700000000, 0.0004836400000000 ] - [ 0.0002295300000000, 0.0013577700000000, 0.0001811200000000 ] - [ -0.0003838800000000, -0.0014406800000000, -0.0000391300000000 ] - [ 0.0001590400000000, 0.0008918600000000, 0.0001249800000000 ] - [ 0.0009325500000000, -0.0020671600000000, -0.0012604200000000 ] - [ 0.0001319900000000, 0.0017831600000000, -0.0000790500000000 ] - [ -0.0035587100000000, -0.0031096900000000, 0.0051647100000000 ] - [ 0.0000699500000000, 0.0012724100000000, -0.0000686200000000 ] - [ -0.0006297300000000, 0.0011047900000000, 0.0005146600000000 ] - [ -0.0002794000000000, 0.0007262200000000, 0.0005733300000000 ] - [ -0.0001418200000000, -0.0003075500000000, 0.0010904500000000 ] - [ 0.0021831200000000, -0.0005957900000000, -0.0009728800000000 ] - [ -0.0002363400000000, 0.0010155600000000, 0.0003679400000000 ] - [ -0.0005803700000000, -0.0006532600000000, 0.0006982500000000 ] - [ -0.0001464300000000, 0.0004138100000000, -0.0002171900000000 ] - [ -0.0004561000000000, 0.0009274300000000, 0.0002766900000000 ] - [ 0.0000061700000000, 0.0009218000000000, -0.0005270700000000 ] - [ 0.0001528500000000, 0.0001019600000000, 0.0002031700000000 ] - [ -0.0826557000000000, -0.1828792700000000, -0.0438028200000000 ] - [ 0.0002072000000000, 0.0003812000000000, 0.0001779900000000 ] - [ -0.0005553000000000, 0.0021511400000000, -0.0002601800000000 ] - [ 0.0003249900000000, 0.0005385100000000, -0.0003611800000000 ] - [ -0.0044168100000000, 0.0024318900000000, 0.0017117000000000 ] - [ 0.0034288100000000, -0.0020940900000000, -0.0007350400000000 ] - [ 0.0031752800000000, 0.0056806400000000, 0.0024946400000000 ] - [ 0.0019427600000000, -0.0002311000000000, -0.0002657200000000 ] - [ 0.0001751500000000, 0.0000210100000000, -0.0002807900000000 ] - [ 0.0001391200000000, 0.0007609900000000, 0.0000594300000000 ] - [ 0.0000893400000000, 0.0004910000000000, -0.0000178900000000 ] - [ 0.0006839500000000, -0.0005834800000000, 0.0003871800000000 ] - [ -0.0000616300000000, -0.0005877100000000, 0.0003552200000000 ] - [ 0.1628639000000000, 0.2700504900000000, 0.0593707000000000 ] - [ -0.0000809800000000, -0.0010928700000000, 0.0001939200000000 ] - [ 0.0000830400000000, -0.0005042900000000, 0.0001622800000000 ] - [ -0.0014956600000000, 0.0015114300000000, -0.0001418500000000 ] - [ 0.0075024400000000, -0.0046695400000000, 0.0011336500000000 ] - [ -0.0007882700000000, 0.0013613300000000, -0.0000862200000000 ] - [ 0.0008446800000000, -0.0010089200000000, -0.0013539100000000 ] - [ 0.0002920200000000, -0.0011565400000000, -0.0000950500000000 ] - [ 0.0000083200000000, -0.0007976600000000, 0.0002532500000000 ] - [ -0.0004706000000000, -0.0001301400000000, 0.0004251600000000 ] - [ -0.0002272300000000, 0.0008585800000000, 0.0001470300000000 ] - [ 0.0002773000000000, -0.0006165900000000, 0.0006869500000000 ] - [ -0.0000022500000000, -0.0016377500000000, -0.0000563700000000 ] - [ 0.0001485700000000, -0.0014597000000000, -0.0001333900000000 ] - [ 0.0002639500000000, 0.0005265800000000, -0.0000111100000000 ] - [ 0.0000014300000000, 0.0010763300000000, 0.0003837400000000 ] - [ -0.0002826100000000, -0.0004168900000000, 0.0004736300000000 ] - [ 0.0000076300000000, -0.0002317700000000, -0.0000060300000000 ] - [ -0.0005447500000000, -0.0011535200000000, -0.0005022500000000 ] - [ -0.0002037300000000, -0.0005742300000000, -0.0002657100000000 ] - [ -0.0226175900000000, -0.0023182800000000, -0.0366174500000000 ] - [ -0.0016245500000000, 0.0015354200000000, -0.0012564900000000 ] - [ -0.0015431600000000, -0.0011453500000000, 0.0020336800000000 ] - [ 0.0002128500000000, -0.0009344600000000, -0.0003949000000000 ] - [ -0.0003252300000000, -0.0003857700000000, -0.0002047600000000 ] - [ 0.0003374200000000, -0.0003605300000000, -0.0004503800000000 ] - [ 0.0005384800000000, -0.0007887300000000, -0.0002334000000000 ] - [ -0.0000539900000000, -0.0004047600000000, -0.0000449100000000 ] - [ -0.0015573800000000, -0.0042151600000000, 0.0018971800000000 ] - [ 0.0001465900000000, 0.0005839200000000, -0.0000709200000000 ] - [ -0.0331057100000000, -0.0460988600000000, 0.0157587800000000 ] - [ 0.0040637000000000, 0.0027510900000000, 0.0025895400000000 ] - [ -0.0004879700000000, -0.0008899900000000, -0.0000416200000000 ] - [ 0.0004894600000000, 0.0006454800000000, -0.0003949500000000 ] - [ 0.0000029100000000, -0.0009717500000000, 0.0001125000000000 ] - [ -0.0011924000000000, 0.0021767600000000, 0.0018481200000000 ] - [ -0.0000440200000000, -0.0014179700000000, -0.0003984600000000 ] - [ 0.0004969800000000, -0.0012807500000000, 0.0001181000000000 ] - [ -0.0005568000000000, 0.0004341700000000, -0.0001926800000000 ] - [ -0.0012356100000000, 0.0012546200000000, -0.0001313300000000 ] - [ -0.0004094600000000, 0.0000624700000000, 0.0003422700000000 ] - [ 0.0000855300000000, -0.0002838800000000, 0.0002077500000000 ] - [ -0.0002994400000000, -0.0025091300000000, -0.0062781400000000 ] - [ -0.0000117900000000, -0.0006882900000000, 0.0000073400000000 ] - [ -0.0000002900000000, -0.0031705000000000, 0.0015151900000000 ] - [ -0.0002822200000000, 0.0010562100000000, 0.0002545900000000 ] - [ 0.0001797400000000, -0.0008029300000000, -0.0000379600000000 ] - [ 0.0020221600000000, 0.0036527300000000, 0.0006490500000000 ] - [ 0.0017864600000000, -0.0007809900000000, 0.0013824900000000 ] - [ 0.0004038700000000, 0.0010766800000000, -0.0002310500000000 ] - [ -0.0013789500000000, 0.0002893700000000, 0.0000679600000000 ] - [ 0.0001036700000000, -0.0008021100000000, -0.0002734500000000 ] - [ -0.0009227900000000, 0.0012681100000000, -0.0001052000000000 ] - [ 0.0008091500000000, -0.0002554000000000, -0.0009459000000000 ] - [ 0.0018199700000000, 0.0004421000000000, -0.0015583700000000 ] - [ 0.0001787300000000, -0.0003367300000000, 0.0001745300000000 ] - [ -0.0006278500000000, 0.0006600000000000, -0.0004682600000000 ] - [ -0.0005338400000000, -0.0010830200000000, 0.0000782900000000 ] - [ -0.0002292300000000, -0.0019951900000000, -0.0000933000000000 ] - [ 0.0000377200000000, -0.0011548200000000, -0.0003482900000000 ] - [ -0.0000593900000000, -0.0010834000000000, -0.0005179300000000 ] - [ -0.0000576600000000, -0.0004949800000000, 0.0002897600000000 ] - [ -0.0002283400000000, -0.0001767800000000, 0.0003017900000000 ] - [ -0.0001727000000000, -0.0005859900000000, 0.0000403300000000 ] - [ 0.0001678000000000, -0.0006874000000000, 0.0000710600000000 ] - [ -0.0036976800000000, 0.0000241400000000, -0.0029498500000000 ] - [ 0.0009966400000000, -0.0002874000000000, -0.0002310900000000 ] - [ 0.0001052100000000, 0.0003852300000000, -0.0003131200000000 ] - [ 0.0000118900000000, -0.0001091600000000, 0.0003281000000000 ] - [ 0.0000177300000000, -0.0010906000000000, 0.0000826700000000 ] - [ 0.0001982000000000, -0.0001470600000000, -0.0005108300000000 ] - [ 0.0014951000000000, 0.0037639600000000, 0.0002653800000000 ] - [ -0.0006057000000000, -0.0006039800000000, 0.0003042300000000 ] - [ -0.0002869000000000, -0.0008035400000000, -0.0000067200000000 ] - [ 0.0022316200000000, -0.0007885000000000, 0.0014045400000000 ] - [ 0.0001481700000000, -0.0003107500000000, -0.0001184200000000 ] - [ 0.0003171800000000, -0.0005387300000000, -0.0005173100000000 ] - [ 0.0000438700000000, -0.0010094600000000, -0.0002160100000000 ] - [ 0.0004321600000000, 0.0007973200000000, -0.0026157200000000 ] - [ 0.0007960200000000, 0.0054558100000000, -0.0010815000000000 ] - [ -0.0000503300000000, -0.0011081400000000, -0.0011431700000000 ] - [ -0.0011875100000000, 0.0014509400000000, 0.0007147900000000 ] - [ -0.0040384300000000, 0.0050676000000000, 0.0024173800000000 ] - [ -0.0001349100000000, 0.0008510300000000, 0.0029258800000000 ] - [ -0.0001300300000000, -0.0000237000000000, -0.0008901300000000 ] - [ -0.0003584900000000, 0.0017223200000000, 0.0000155000000000 ] - [ -0.0001104700000000, -0.0014378300000000, -0.0001030700000000 ] - [ 0.0004490300000000, -0.0011551500000000, 0.0000337100000000 ] - [ -0.0005013100000000, -0.0005106300000000, 0.0000315200000000 ] - [ 0.0005259800000000, -0.0008047600000000, -0.0002247900000000 ] - [ -0.0000576100000000, -0.0013433000000000, -0.0000530200000000 ] - [ -0.0019108700000000, -0.0018219500000000, -0.0022105500000000 ] - [ 0.0003495300000000, -0.0013727300000000, 0.0003136300000000 ] - [ -0.0134321400000000, -0.0107994900000000, 0.0069708200000000 ]- atom: 83 displacement: [ -0.0035230240541542, 0.0000000000000000, 0.0093588621911988 ] forces: - [ 0.0015996400000000, -0.0023560700000000, -0.0001546600000000 ] - [ -0.0000954400000000, -0.0002189100000000, -0.0004717100000000 ] - [ 0.0002912600000000, 0.0000884900000000, -0.0001817700000000 ] - [ 0.0000438700000000, -0.0003303300000000, -0.0002434500000000 ] - [ 0.0001148900000000, -0.0002282200000000, 0.0001973700000000 ] - [ -0.0000644000000000, 0.0000274500000000, -0.0003043700000000 ] - [ -0.0001610800000000, -0.0006747800000000, 0.0007877500000000 ] - [ 0.0004427900000000, 0.0002041700000000, 0.0002340500000000 ] - [ 0.0000227600000000, -0.0000714600000000, 0.0003625200000000 ] - [ -0.0000600200000000, 0.0001991500000000, 0.0002727100000000 ] - [ 0.0000059800000000, -0.0002150800000000, 0.0015296500000000 ] - [ 0.0003340900000000, -0.0004088400000000, -0.0006554500000000 ] - [ -0.0002113000000000, -0.0003302500000000, -0.0008553300000000 ] - [ -0.0001864900000000, -0.0000241600000000, -0.0006492900000000 ] - [ -0.0000154600000000, -0.0000671300000000, -0.0002219600000000 ] - [ 0.0013740300000000, -0.0003893300000000, 0.0012767800000000 ] - [ -0.0000348000000000, 0.0001322200000000, 0.0001411600000000 ] - [ -0.0004141200000000, -0.0000410600000000, 0.0000112700000000 ] - [ -0.0003950100000000, 0.0002813000000000, -0.0011109500000000 ] - [ -0.0000910800000000, 0.0011490500000000, 0.0004599000000000 ] - [ 0.0008371400000000, 0.0000329700000000, 0.0000778000000000 ] - [ -0.0000929900000000, 0.0003781800000000, -0.0003559700000000 ] - [ -0.0002943900000000, 0.0000155200000000, -0.0000728500000000 ] - [ 0.0000691300000000, 0.0004492500000000, -0.0002765600000000 ] - [ -0.0000690900000000, -0.0010461900000000, -0.0000655200000000 ] - [ -0.0001133600000000, -0.0032130300000000, -0.0074396900000000 ] - [ -0.0001397500000000, -0.0004425100000000, -0.0001001000000000 ] - [ -0.0005079300000000, 0.0007382200000000, -0.0006527800000000 ] - [ -0.0016902400000000, -0.0010196500000000, 0.0006299000000000 ] - [ -0.0002341700000000, -0.0004826000000000, -0.0003823800000000 ] - [ -0.0009558500000000, 0.0011526300000000, -0.0002496000000000 ] - [ 0.0013517900000000, 0.0013229700000000, -0.0016488800000000 ] - [ -0.0064688700000000, -0.0014242400000000, 0.0101002100000000 ] - [ 0.0009755400000000, -0.0011662900000000, -0.0000402700000000 ] - [ 0.0012726300000000, 0.0082502900000000, -0.0101230800000000 ] - [ 0.0001458000000000, -0.0005329500000000, -0.0006493100000000 ] - [ 0.0001117000000000, 0.0005064400000000, 0.0003540700000000 ] - [ -0.0014405700000000, 0.0048149800000000, 0.0129469000000000 ] - [ 0.0000282100000000, 0.0002370500000000, -0.0002089000000000 ] - [ 0.0004141700000000, -0.0001934700000000, -0.0022114900000000 ] - [ 0.0003409900000000, -0.0005498700000000, -0.0001465400000000 ] - [ -0.0002995900000000, 0.0015037200000000, 0.0002163300000000 ] - [ 0.0000495100000000, -0.0002836400000000, 0.0001410300000000 ] - [ 0.0024423400000000, -0.0003769500000000, -0.0026126400000000 ] - [ -0.0002247200000000, 0.0000146200000000, 0.0006121900000000 ] - [ 0.0002697100000000, 0.0007810200000000, -0.0007339800000000 ] - [ 0.0005520200000000, 0.0013233100000000, 0.0000100000000000 ] - [ -0.0000946700000000, -0.0000484400000000, 0.0005290500000000 ] - [ -0.0013713600000000, 0.0032545100000000, 0.0003784400000000 ] - [ -0.0021685000000000, 0.0001855400000000, -0.0000898400000000 ] - [ 0.0001677100000000, 0.0002136600000000, -0.0010763300000000 ] - [ 0.0000936500000000, 0.0000677700000000, 0.0006730300000000 ] - [ 0.0003134100000000, 0.0004401700000000, -0.0001418600000000 ] - [ 0.0029353300000000, 0.0013333000000000, -0.0012656400000000 ] - [ 0.0003105400000000, -0.0003965100000000, 0.0000028800000000 ] - [ -0.0000545200000000, -0.0011889300000000, -0.0022017900000000 ] - [ -0.0001882500000000, 0.0001948800000000, -0.0000530100000000 ] - [ 0.0011544600000000, -0.0055737100000000, -0.0021219000000000 ] - [ -0.0000661500000000, 0.0003985300000000, -0.0000858800000000 ] - [ 0.0000079900000000, -0.0015020800000000, 0.0001949000000000 ] - [ -0.0000206700000000, 0.0001957500000000, 0.0006514200000000 ] - [ -0.0001663100000000, 0.0000690000000000, -0.0009179700000000 ] - [ 0.0010533000000000, 0.0010936400000000, -0.0001566600000000 ] - [ -0.0001431800000000, 0.0001327700000000, 0.0001814600000000 ] - [ -0.0000579400000000, 0.0003447800000000, -0.0024671500000000 ] - [ 0.0000684800000000, -0.0002412600000000, -0.0006686700000000 ] - [ -0.0001952600000000, 0.0001296100000000, -0.0002816600000000 ] - [ 0.0000399100000000, 0.0000715500000000, 0.0005216500000000 ] - [ 0.0000700900000000, -0.0003287800000000, -0.0008733000000000 ] - [ -0.0063287500000000, 0.0143627900000000, 0.0558243000000000 ] - [ -0.0001570500000000, 0.0001223100000000, -0.0000886800000000 ] - [ -0.0012422500000000, 0.0028469800000000, 0.0000477700000000 ] - [ -0.0000431100000000, -0.0004043200000000, 0.0005685100000000 ] - [ -0.0012766300000000, 0.0009558100000000, 0.0015462500000000 ] - [ 0.0012497900000000, -0.0005381000000000, 0.0009289200000000 ] - [ 0.0029814800000000, 0.0030711600000000, 0.0044725900000000 ] - [ 0.0004852100000000, -0.0007520800000000, -0.0001035400000000 ] - [ 0.0001654500000000, -0.0000518500000000, -0.0001976300000000 ] - [ 0.0000465400000000, 0.0001809600000000, 0.0000839700000000 ] - [ -0.0000696800000000, -0.0001330100000000, -0.0000639000000000 ] - [ 0.0010294800000000, -0.0004946600000000, 0.0000676500000000 ] - [ -0.0000878700000000, -0.0001953900000000, 0.0000905100000000 ] - [ -0.0106001700000000, 0.0019333900000000, -0.0848654000000000 ] - [ -0.0002360400000000, -0.0012754000000000, 0.0000558600000000 ] - [ -0.0000006900000000, 0.0002798500000000, 0.0004437700000000 ] - [ -0.0008973800000000, 0.0000465000000000, -0.0012017500000000 ] - [ 0.0032985300000000, -0.0013374800000000, -0.0040671600000000 ] - [ -0.0003768000000000, 0.0000731500000000, 0.0013859600000000 ] - [ 0.0000793600000000, -0.0002024000000000, -0.0014798400000000 ] - [ 0.0000959700000000, -0.0002104400000000, 0.0000693200000000 ] - [ 0.0000535600000000, -0.0000899000000000, -0.0001877700000000 ] - [ -0.0003801700000000, 0.0000968100000000, 0.0003245000000000 ] - [ 0.0002136000000000, 0.0002413600000000, 0.0016723500000000 ] - [ 0.0002915600000000, -0.0001960200000000, 0.0008700700000000 ] - [ -0.0001032900000000, -0.0005346200000000, 0.0000325900000000 ] - [ 0.0002079800000000, -0.0007544500000000, -0.0001614400000000 ] - [ 0.0000077600000000, 0.0008639300000000, 0.0003493800000000 ] - [ -0.0009400300000000, -0.0013840500000000, 0.0008766200000000 ] - [ -0.0002198100000000, -0.0001393900000000, 0.0006962600000000 ] - [ -0.0002406200000000, 0.0003073100000000, 0.0000703700000000 ] - [ -0.0001916400000000, -0.0003890700000000, -0.0011219400000000 ] - [ -0.0002439700000000, -0.0000853300000000, 0.0000634200000000 ] - [ 0.0310777600000000, 0.0238954000000000, 0.0204685800000000 ] - [ 0.0016759700000000, -0.0001751600000000, 0.0011580500000000 ] - [ -0.0008717000000000, -0.0016273600000000, 0.0004034100000000 ] - [ -0.0000396600000000, -0.0001182200000000, -0.0003794500000000 ] - [ -0.0002033100000000, -0.0000088900000000, 0.0001513200000000 ] - [ 0.0002240900000000, 0.0001728200000000, -0.0006730200000000 ] - [ 0.0002522400000000, -0.0002169700000000, -0.0003402500000000 ] - [ -0.0001362700000000, 0.0003966700000000, 0.0005048100000000 ] - [ -0.0015294700000000, -0.0023981600000000, 0.0001947000000000 ] - [ 0.0001459400000000, 0.0003234500000000, 0.0011983900000000 ] - [ -0.0088214100000000, -0.0297544600000000, -0.0113584100000000 ] - [ 0.0051883300000000, -0.0042719000000000, 0.0033446100000000 ] - [ -0.0003050300000000, -0.0000969600000000, -0.0000923700000000 ] - [ 0.0001708600000000, 0.0000710600000000, 0.0007333200000000 ] - [ 0.0002037000000000, -0.0001120500000000, -0.0001588200000000 ] - [ -0.0012162300000000, -0.0005150800000000, 0.0009343800000000 ] - [ -0.0002234300000000, 0.0000056300000000, -0.0001449500000000 ] - [ 0.0000556900000000, 0.0008337200000000, 0.0000446400000000 ] - [ -0.0002535400000000, 0.0007216900000000, 0.0001051700000000 ] - [ -0.0009904900000000, 0.0002883100000000, 0.0005518500000000 ] - [ -0.0004573700000000, -0.0002325600000000, 0.0001691400000000 ] - [ 0.0001034100000000, -0.0002130000000000, 0.0001782200000000 ] - [ 0.0024773600000000, 0.0029790100000000, 0.0016768200000000 ] - [ -0.0001464000000000, -0.0002341200000000, -0.0007108100000000 ] - [ -0.0005543600000000, -0.0052955300000000, 0.0021953900000000 ] - [ 0.0003033700000000, 0.0004260400000000, 0.0014800000000000 ] - [ 0.0003819400000000, -0.0001633200000000, 0.0000613100000000 ] - [ 0.0032126100000000, 0.0003783700000000, 0.0018100800000000 ] - [ -0.0001727300000000, -0.0003648400000000, -0.0005537100000000 ] - [ -0.0009183800000000, -0.0003801600000000, 0.0012878900000000 ] - [ -0.0009051800000000, -0.0006222600000000, 0.0000441700000000 ] - [ 0.0000803000000000, 0.0002692900000000, -0.0003176900000000 ] - [ -0.0020668100000000, 0.0004049800000000, 0.0005721600000000 ] - [ -0.0001746800000000, 0.0019702300000000, 0.0001131700000000 ] - [ -0.0014079800000000, 0.0019985200000000, 0.0005455200000000 ] - [ 0.0002357700000000, -0.0002892000000000, 0.0005419300000000 ] - [ 0.0000265700000000, 0.0009702600000000, -0.0003325300000000 ] - [ -0.0005234500000000, -0.0005657500000000, -0.0000391600000000 ] - [ 0.0000025500000000, -0.0001507600000000, 0.0000535700000000 ] - [ -0.0001166500000000, -0.0002175900000000, -0.0005607300000000 ] - [ -0.0000475100000000, 0.0001748200000000, -0.0002869300000000 ] - [ -0.0002171300000000, 0.0000594000000000, 0.0005058800000000 ] - [ -0.0000563400000000, 0.0002073300000000, 0.0002087800000000 ] - [ 0.0000821800000000, -0.0001128100000000, 0.0001120700000000 ] - [ -0.0001016600000000, 0.0004607600000000, -0.0004263900000000 ] - [ -0.0007055500000000, -0.0000675500000000, -0.0004194200000000 ] - [ 0.0013637300000000, -0.0017446100000000, -0.0003321800000000 ] - [ -0.0000726600000000, 0.0004356700000000, 0.0009787200000000 ] - [ -0.0001117100000000, 0.0001903100000000, 0.0010494300000000 ] - [ 0.0001069400000000, 0.0001131800000000, -0.0005550300000000 ] - [ 0.0006380400000000, -0.0003649400000000, 0.0004809100000000 ] - [ -0.0020694400000000, 0.0008398300000000, 0.0032495400000000 ] - [ -0.0003187600000000, -0.0002184900000000, 0.0004446000000000 ] - [ -0.0001442300000000, 0.0000309900000000, 0.0001253100000000 ] - [ 0.0009809300000000, -0.0022359200000000, 0.0005070200000000 ] - [ 0.0003761700000000, 0.0000266700000000, 0.0006553500000000 ] - [ 0.0001104900000000, -0.0000600300000000, 0.0002077500000000 ] - [ 0.0001022200000000, -0.0004104000000000, -0.0002141100000000 ] - [ -0.0000984700000000, -0.0001612200000000, 0.0027356200000000 ] - [ -0.0014170200000000, 0.0031972800000000, 0.0057231000000000 ] - [ 0.0002249600000000, 0.0016814300000000, 0.0000763800000000 ] - [ 0.0000193300000000, 0.0000998500000000, -0.0011726600000000 ] - [ -0.0013015000000000, -0.0001543700000000, -0.0015194900000000 ] - [ -0.0001206900000000, 0.0001307900000000, 0.0026045400000000 ] - [ 0.0001887900000000, 0.0001917700000000, 0.0014302900000000 ] - [ 0.0014219100000000, -0.0003041700000000, 0.0001246700000000 ] - [ 0.0002619300000000, 0.0000025000000000, -0.0001260000000000 ] - [ 0.0005165900000000, -0.0005714300000000, -0.0000159500000000 ] - [ -0.0003920500000000, 0.0002152300000000, 0.0001202200000000 ] - [ 0.0003420300000000, -0.0001617100000000, -0.0000229600000000 ] - [ -0.0001024000000000, 0.0001476700000000, -0.0001913700000000 ] - [ -0.0010190200000000, 0.0000506000000000, -0.0037050700000000 ] - [ 0.0001753400000000, -0.0008084800000000, 0.0001725500000000 ] - [ -0.0094869900000000, -0.0115371800000000, -0.0026610600000000 ]- atom: 83 displacement: [ 0.0035230240541542, 0.0000000000000000, -0.0093588621911988 ] forces: - [ -0.0014043500000000, 0.0021504200000000, 0.0003292700000000 ] - [ -0.0000327400000000, 0.0006551600000000, 0.0004152300000000 ] - [ 0.0003236400000000, -0.0001000700000000, 0.0000348800000000 ] - [ 0.0000482600000000, -0.0003342800000000, 0.0005232000000000 ] - [ -0.0002065700000000, -0.0004372000000000, -0.0004774900000000 ] - [ -0.0001259000000000, -0.0002433400000000, 0.0001197200000000 ] - [ -0.0000288300000000, 0.0008795400000000, -0.0009731500000000 ] - [ 0.0004235000000000, 0.0001300500000000, -0.0000178900000000 ] - [ 0.0000346700000000, -0.0000330500000000, -0.0004766500000000 ] - [ 0.0000013300000000, -0.0000974500000000, -0.0001594900000000 ] - [ 0.0000657600000000, 0.0008728300000000, -0.0012576100000000 ] - [ -0.0002054200000000, -0.0000275300000000, 0.0007113300000000 ] - [ 0.0010735600000000, -0.0000025900000000, 0.0010712800000000 ] - [ 0.0002447200000000, 0.0001292400000000, 0.0005346100000000 ] - [ -0.0000432700000000, -0.0000384000000000, 0.0003361500000000 ] - [ -0.0020432100000000, 0.0004039900000000, -0.0011100300000000 ] - [ -0.0000932000000000, -0.0005741000000000, -0.0001973300000000 ] - [ -0.0004528800000000, -0.0002979100000000, -0.0002281100000000 ] - [ -0.0004709000000000, 0.0000569700000000, 0.0008977100000000 ] - [ 0.0002227000000000, -0.0007293300000000, -0.0004027000000000 ] - [ -0.0002223300000000, -0.0000211400000000, -0.0002259800000000 ] - [ 0.0000009200000000, 0.0002846000000000, 0.0000764500000000 ] - [ -0.0003204900000000, -0.0000072800000000, 0.0002190500000000 ] - [ 0.0001212700000000, -0.0002361700000000, 0.0004630100000000 ] - [ 0.0005865700000000, 0.0007323800000000, 0.0009791200000000 ] - [ 0.0001949700000000, 0.0027558800000000, 0.0076719700000000 ] - [ -0.0002322700000000, -0.0005869300000000, 0.0007643600000000 ] - [ -0.0000151200000000, -0.0010678700000000, -0.0002666400000000 ] - [ 0.0016134600000000, 0.0014915200000000, -0.0009145500000000 ] - [ 0.0004177400000000, 0.0007908700000000, -0.0004941400000000 ] - [ 0.0007753700000000, -0.0008381700000000, 0.0011227700000000 ] - [ -0.0012466400000000, -0.0009504700000000, 0.0017360500000000 ] - [ 0.0059480900000000, 0.0024357500000000, -0.0095004400000000 ] - [ -0.0014911700000000, 0.0014797700000000, -0.0008806400000000 ] - [ -0.0013679400000000, -0.0085052700000000, 0.0100537900000000 ] - [ 0.0000395500000000, 0.0002278400000000, -0.0002173100000000 ] - [ 0.0002866600000000, -0.0003294500000000, -0.0004404100000000 ] - [ 0.0015768500000000, -0.0053929300000000, -0.0143530100000000 ] - [ -0.0000986600000000, -0.0007166600000000, -0.0000792300000000 ] - [ -0.0000200200000000, 0.0000137900000000, 0.0021223300000000 ] - [ -0.0004533200000000, 0.0009227200000000, 0.0000561900000000 ] - [ 0.0008267000000000, -0.0011881300000000, 0.0007063700000000 ] - [ 0.0000664900000000, -0.0000982900000000, -0.0000532800000000 ] - [ -0.0028195900000000, 0.0005725800000000, 0.0026910000000000 ] - [ -0.0001708600000000, -0.0002072800000000, -0.0005275400000000 ] - [ 0.0001015500000000, 0.0002377500000000, 0.0000713200000000 ] - [ -0.0004875600000000, -0.0008564000000000, 0.0002846100000000 ] - [ -0.0000914700000000, -0.0002713000000000, 0.0003418400000000 ] - [ 0.0010679900000000, -0.0037258300000000, -0.0004278300000000 ] - [ 0.0022439500000000, 0.0002254100000000, 0.0002547700000000 ] - [ 0.0002818200000000, -0.0001450700000000, 0.0003829900000000 ] - [ 0.0002018900000000, -0.0002031600000000, -0.0001316800000000 ] - [ 0.0001064300000000, 0.0002169500000000, -0.0000988600000000 ] - [ -0.0033684800000000, -0.0006731700000000, 0.0015103500000000 ] - [ 0.0000060500000000, -0.0000844100000000, 0.0000502400000000 ] - [ 0.0003500000000000, 0.0004171200000000, 0.0017471100000000 ] - [ 0.0002200100000000, 0.0004121300000000, -0.0001633500000000 ] - [ -0.0007476700000000, 0.0048732700000000, 0.0018702100000000 ] - [ -0.0000063600000000, -0.0000075500000000, -0.0000827200000000 ] - [ -0.0000361400000000, 0.0008832500000000, 0.0000187900000000 ] - [ -0.0002732000000000, -0.0000647200000000, -0.0011981000000000 ] - [ 0.0004602600000000, 0.0000644000000000, 0.0014612400000000 ] - [ -0.0010961100000000, -0.0004732300000000, 0.0003789900000000 ] - [ -0.0002770400000000, -0.0007997400000000, 0.0000568100000000 ] - [ -0.0002317600000000, -0.0004740800000000, 0.0019185700000000 ] - [ 0.0001853700000000, -0.0000196800000000, 0.0005276100000000 ] - [ -0.0000569200000000, 0.0001275900000000, 0.0004238900000000 ] - [ 0.0002619200000000, 0.0007076600000000, -0.0009774100000000 ] - [ -0.0003700200000000, 0.0011082300000000, 0.0013286100000000 ] - [ 0.0070451800000000, -0.0132015900000000, -0.0554842200000000 ] - [ -0.0002937600000000, -0.0001932700000000, 0.0007847900000000 ] - [ 0.0015674100000000, -0.0023896700000000, 0.0000062600000000 ] - [ -0.0002595500000000, -0.0003788900000000, -0.0001125800000000 ] - [ 0.0008318300000000, -0.0008921900000000, -0.0008488800000000 ] - [ -0.0007958400000000, 0.0004673200000000, -0.0016244200000000 ] - [ -0.0032416300000000, -0.0033281100000000, -0.0043321200000000 ] - [ -0.0005524100000000, 0.0003600200000000, -0.0000651100000000 ] - [ -0.0001330000000000, -0.0005617200000000, -0.0000188500000000 ] - [ 0.0000250000000000, -0.0005802900000000, 0.0000844600000000 ] - [ -0.0002494400000000, 0.0006090600000000, 0.0000099000000000 ] - [ -0.0005592700000000, 0.0013030400000000, -0.0000034800000000 ] - [ -0.0000440600000000, 0.0001785600000000, 0.0007437900000000 ] - [ 0.0101417500000000, -0.0034493900000000, 0.0857909100000000 ] - [ -0.0000349800000000, 0.0020646400000000, -0.0002992000000000 ] - [ 0.0000689800000000, -0.0004001200000000, 0.0002207300000000 ] - [ 0.0013840600000000, 0.0000192600000000, 0.0014141100000000 ] - [ -0.0028265700000000, 0.0012268100000000, 0.0038302700000000 ] - [ -0.0001835400000000, 0.0000065500000000, -0.0015892300000000 ] - [ -0.0004738800000000, 0.0001366300000000, 0.0018930500000000 ] - [ 0.0003785100000000, -0.0005878200000000, -0.0000042200000000 ] - [ 0.0001763400000000, 0.0002316500000000, 0.0004680800000000 ] - [ 0.0001046000000000, 0.0009921100000000, 0.0000235800000000 ] - [ -0.0006959500000000, 0.0002664900000000, -0.0008376700000000 ] - [ 0.0002792000000000, 0.0001704800000000, -0.0002992800000000 ] - [ -0.0000482900000000, -0.0006403800000000, 0.0003069500000000 ] - [ 0.0000105800000000, -0.0003659700000000, -0.0002064700000000 ] - [ 0.0002625700000000, -0.0000886000000000, -0.0001055200000000 ] - [ 0.0010950100000000, 0.0002055600000000, -0.0012168100000000 ] - [ -0.0001707000000000, 0.0002098700000000, -0.0002854500000000 ] - [ -0.0001474200000000, 0.0005613600000000, -0.0001294600000000 ] - [ 0.0003263900000000, 0.0004127800000000, 0.0002882800000000 ] - [ -0.0003277800000000, 0.0001154700000000, -0.0006371100000000 ] - [ -0.0308305700000000, -0.0240209900000000, -0.0198166900000000 ] - [ -0.0018914100000000, -0.0009620500000000, -0.0007847900000000 ] - [ 0.0011510100000000, 0.0005425300000000, -0.0007660000000000 ] - [ -0.0002001100000000, 0.0002135400000000, 0.0005763900000000 ] - [ -0.0002807600000000, 0.0000814400000000, -0.0003667800000000 ] - [ 0.0002574200000000, 0.0003390900000000, -0.0001624900000000 ] - [ -0.0000168100000000, 0.0001294300000000, 0.0001466200000000 ] - [ -0.0001964700000000, 0.0001491600000000, 0.0000819800000000 ] - [ 0.0011987800000000, 0.0018518500000000, 0.0003936000000000 ] - [ 0.0004198100000000, -0.0004133600000000, -0.0009889200000000 ] - [ 0.0092497700000000, 0.0303048400000000, 0.0105434700000000 ] - [ -0.0050868400000000, 0.0043655500000000, -0.0026788700000000 ] - [ -0.0001738300000000, -0.0004109100000000, 0.0009316400000000 ] - [ 0.0000658200000000, 0.0000177300000000, -0.0009264100000000 ] - [ 0.0003636900000000, 0.0002059700000000, 0.0003655300000000 ] - [ 0.0015427800000000, 0.0006375600000000, -0.0006121700000000 ] - [ -0.0000497700000000, -0.0007763000000000, -0.0000979900000000 ] - [ 0.0002683700000000, -0.0009695400000000, 0.0002874100000000 ] - [ -0.0002190700000000, 0.0000794400000000, -0.0001693400000000 ] - [ 0.0007104900000000, -0.0005320900000000, -0.0002195900000000 ] - [ 0.0001329300000000, 0.0000922700000000, -0.0005013400000000 ] - [ 0.0001142400000000, 0.0005467500000000, -0.0000611000000000 ] - [ -0.0028372100000000, -0.0038311400000000, -0.0017303900000000 ] - [ -0.0000864300000000, 0.0000988000000000, 0.0004270600000000 ] - [ 0.0005040400000000, 0.0052214000000000, -0.0028846200000000 ] - [ -0.0005325800000000, -0.0002928500000000, -0.0017616400000000 ] - [ 0.0005623500000000, 0.0003103200000000, 0.0000623500000000 ] - [ -0.0022639400000000, 0.0001879100000000, -0.0019484700000000 ] - [ -0.0003149700000000, 0.0002943700000000, 0.0003356100000000 ] - [ 0.0006765400000000, 0.0002840300000000, -0.0010931200000000 ] - [ 0.0006940200000000, 0.0002884100000000, -0.0001630000000000 ] - [ 0.0000712800000000, 0.0009127700000000, -0.0000214900000000 ] - [ 0.0011345800000000, -0.0002684600000000, -0.0006953700000000 ] - [ 0.0004465500000000, -0.0008813800000000, -0.0004571300000000 ] - [ 0.0023422600000000, -0.0021310800000000, -0.0004164200000000 ] - [ 0.0001564200000000, 0.0002229500000000, -0.0009589700000000 ] - [ 0.0001909500000000, 0.0001546600000000, -0.0000356900000000 ] - [ -0.0004152600000000, 0.0004294300000000, -0.0000847700000000 ] - [ -0.0002771800000000, -0.0009305800000000, 0.0002947100000000 ] - [ -0.0004506300000000, 0.0001332700000000, 0.0003544500000000 ] - [ -0.0000211100000000, -0.0000476000000000, -0.0003763100000000 ] - [ -0.0003369600000000, 0.0001148200000000, -0.0000330200000000 ] - [ -0.0001620400000000, 0.0009184800000000, 0.0001581200000000 ] - [ 0.0004062800000000, 0.0002203500000000, -0.0003650800000000 ] - [ -0.0001331500000000, -0.0005952800000000, 0.0008536200000000 ] - [ -0.0002637900000000, -0.0005226000000000, 0.0005498000000000 ] - [ -0.0018398400000000, 0.0009385800000000, 0.0002659300000000 ] - [ 0.0002998800000000, -0.0005730700000000, -0.0006978400000000 ] - [ 0.0003440700000000, -0.0003213500000000, -0.0014743100000000 ] - [ 0.0001260500000000, 0.0000238900000000, 0.0001296900000000 ] - [ -0.0001559300000000, -0.0001445500000000, -0.0013170400000000 ] - [ 0.0024525900000000, 0.0000060100000000, -0.0032100300000000 ] - [ -0.0001673200000000, 0.0001145500000000, -0.0001928000000000 ] - [ -0.0001315800000000, 0.0002119400000000, 0.0002070300000000 ] - [ -0.0007175200000000, 0.0014575600000000, -0.0002733800000000 ] - [ 0.0001122800000000, -0.0000957500000000, -0.0004363100000000 ] - [ 0.0002206600000000, -0.0004814500000000, -0.0007920900000000 ] - [ 0.0001745400000000, 0.0001741500000000, -0.0001176300000000 ] - [ 0.0002264200000000, 0.0001367600000000, -0.0035564700000000 ] - [ 0.0012571000000000, -0.0020059300000000, -0.0053013400000000 ] - [ -0.0004417100000000, -0.0013446300000000, -0.0001879100000000 ] - [ 0.0003745500000000, -0.0000347200000000, 0.0007625900000000 ] - [ 0.0008095300000000, 0.0002637500000000, 0.0017775100000000 ] - [ -0.0001120900000000, 0.0000004400000000, -0.0021863500000000 ] - [ -0.0003194500000000, -0.0001722100000000, -0.0005987400000000 ] - [ -0.0011469900000000, 0.0005379100000000, -0.0004558300000000 ] - [ -0.0000437500000000, -0.0003314400000000, 0.0002426900000000 ] - [ 0.0004465700000000, -0.0000116600000000, -0.0001167800000000 ] - [ -0.0005701900000000, 0.0003735700000000, 0.0000118700000000 ] - [ 0.0002097000000000, -0.0000073100000000, -0.0004504200000000 ] - [ -0.0002228800000000, -0.0000040700000000, -0.0001414300000000 ] - [ 0.0004511300000000, -0.0000901100000000, 0.0031350100000000 ] - [ 0.0002107700000000, -0.0000537600000000, -0.0001148600000000 ] - [ 0.0101029600000000, 0.0117903000000000, 0.0022096200000000 ]- atom: 84 displacement: [ 0.0099999639143206, 0.0000000000000000, -0.0000268647033593 ] forces: - [ 0.0001698200000000, 0.0000764200000000, 0.0000254000000000 ] - [ -0.0005477700000000, 0.0001584500000000, 0.0002286400000000 ] - [ 0.0001552100000000, 0.0000660500000000, -0.0002030500000000 ] - [ 0.0000822700000000, -0.0002531100000000, 0.0001013400000000 ] - [ -0.0012701300000000, -0.0003887400000000, -0.0004758500000000 ] - [ 0.0007098700000000, -0.0023918200000000, 0.0020361700000000 ] - [ 0.0006394200000000, 0.0000334800000000, 0.0003063900000000 ] - [ 0.0001758200000000, 0.0000016100000000, 0.0001553300000000 ] - [ -0.0000217700000000, 0.0000123900000000, -0.0000409900000000 ] - [ -0.0016281700000000, 0.0011454500000000, 0.0023859700000000 ] - [ -0.0000098700000000, 0.0003539500000000, 0.0001941100000000 ] - [ 0.0001563200000000, 0.0000396600000000, 0.0000619900000000 ] - [ 0.0003605900000000, -0.0002606100000000, -0.0000096500000000 ] - [ -0.0000193200000000, 0.0001165800000000, -0.0001191800000000 ] - [ 0.0009711300000000, -0.0003693900000000, -0.0002457700000000 ] - [ -0.0003686900000000, -0.0002033900000000, 0.0003401900000000 ] - [ 0.0018456600000000, -0.0014155800000000, -0.0000136700000000 ] - [ -0.0005372700000000, -0.0000255300000000, 0.0001789400000000 ] - [ 0.0006895600000000, -0.0001328600000000, -0.0006519100000000 ] - [ 0.0001095200000000, 0.0002750500000000, 0.0000872100000000 ] - [ -0.0006578600000000, 0.0004157000000000, -0.0002896800000000 ] - [ -0.0011186600000000, 0.0005317600000000, -0.0013410900000000 ] - [ 0.0001135800000000, 0.0003076800000000, -0.0000754500000000 ] - [ 0.0000719500000000, 0.0001695800000000, 0.0000863500000000 ] - [ -0.0007641300000000, 0.0000920200000000, 0.0003571600000000 ] - [ 0.0008091100000000, -0.0003209200000000, -0.0000761800000000 ] - [ -0.0011961900000000, -0.0009714500000000, 0.0002623700000000 ] - [ 0.0312049300000000, -0.0120287600000000, 0.0012700800000000 ] - [ 0.0000421400000000, 0.0000259200000000, -0.0017837400000000 ] - [ -0.0002296900000000, 0.0014305600000000, -0.0004148500000000 ] - [ -0.0101806200000000, -0.0087577400000000, -0.0031618000000000 ] - [ 0.0151412100000000, -0.0001486400000000, 0.0010419800000000 ] - [ 0.0001379700000000, 0.0014455900000000, -0.0001453000000000 ] - [ -0.0003830700000000, -0.0001649900000000, 0.0012808300000000 ] - [ -0.0000253500000000, 0.0000018700000000, 0.0001982000000000 ] - [ 0.0000878900000000, 0.0000416200000000, -0.0004101500000000 ] - [ 0.0005395900000000, -0.0002346200000000, -0.0002667000000000 ] - [ 0.0025636200000000, -0.0037839500000000, 0.0013616800000000 ] - [ -0.0060232400000000, -0.0025089800000000, -0.0000859900000000 ] - [ -0.0028658600000000, 0.0012771900000000, 0.0008442600000000 ] - [ 0.0001238400000000, 0.0000537500000000, -0.0000048400000000 ] - [ 0.0002457200000000, 0.0002908800000000, 0.0003585100000000 ] - [ 0.0002497900000000, -0.0003330500000000, 0.0006253600000000 ] - [ -0.0000471800000000, 0.0009333900000000, 0.0008111200000000 ] - [ 0.0018146100000000, 0.0008253200000000, 0.0002599600000000 ] - [ 0.0005512700000000, 0.0004100400000000, -0.0002029300000000 ] - [ 0.0000299100000000, 0.0003934200000000, 0.0003007000000000 ] - [ -0.0001410200000000, -0.0003108400000000, -0.0002754000000000 ] - [ -0.0001850300000000, -0.0000706500000000, -0.0000375800000000 ] - [ -0.0004822700000000, -0.0005101700000000, 0.0000257200000000 ] - [ 0.0000542400000000, 0.0000665200000000, -0.0006453500000000 ] - [ -0.0006886600000000, 0.0000672300000000, -0.0004874100000000 ] - [ 0.0003333300000000, -0.0010371300000000, -0.0004656900000000 ] - [ 0.0006476200000000, 0.0038683300000000, -0.0021931200000000 ] - [ 0.0001708800000000, -0.0003920500000000, 0.0001940200000000 ] - [ -0.0002755900000000, -0.0000569200000000, -0.0001574600000000 ] - [ 0.0001055800000000, 0.0001027600000000, -0.0003357600000000 ] - [ 0.0002657900000000, -0.0003271800000000, -0.0000251300000000 ] - [ -0.0018431600000000, 0.0028469700000000, -0.0001364500000000 ] - [ 0.0001505600000000, -0.0000563900000000, 0.0000863200000000 ] - [ -0.0004118700000000, 0.0002581000000000, -0.0000084700000000 ] - [ -0.0018344200000000, -0.0005773300000000, -0.0013768400000000 ] - [ -0.0000052700000000, 0.0004858900000000, 0.0001154300000000 ] - [ -0.0001784300000000, -0.0003175500000000, 0.0001501900000000 ] - [ 0.0000726400000000, 0.0000617400000000, -0.0004685100000000 ] - [ 0.0002248200000000, -0.0001459400000000, -0.0000136100000000 ] - [ -0.0003838500000000, 0.0000796500000000, 0.0001697500000000 ] - [ 0.0002712900000000, 0.0004654500000000, -0.0002861300000000 ] - [ -0.0007224600000000, 0.0033245000000000, 0.0039082900000000 ] - [ 0.0002584000000000, 0.0001542200000000, 0.0002449300000000 ] - [ 0.0010331700000000, 0.0014554700000000, -0.0025519400000000 ] - [ 0.1354394100000000, 0.0654060800000000, -0.0123184600000000 ] - [ 0.0028775200000000, -0.0003565800000000, 0.0022290800000000 ] - [ -0.0000162100000000, -0.0002626900000000, 0.0028751200000000 ] - [ -0.0000993600000000, 0.0001477600000000, -0.0003525900000000 ] - [ 0.0021764200000000, 0.0048453200000000, -0.0039288400000000 ] - [ -0.0001000800000000, -0.0002168600000000, -0.0000818600000000 ] - [ -0.0067251600000000, 0.0008801300000000, 0.0006279600000000 ] - [ -0.0000201500000000, -0.0001511200000000, 0.0000510100000000 ] - [ -0.0003785900000000, 0.0003335400000000, -0.0000096800000000 ] - [ 0.0670850300000000, 0.0263645600000000, -0.0060567700000000 ] - [ 0.0015426200000000, 0.0004916500000000, 0.0006829400000000 ] - [ -0.0008795100000000, -0.0001364100000000, -0.0001018800000000 ] - [ -0.2416752000000000, -0.0725227500000000, 0.0175134100000000 ] - [ 0.0001977100000000, -0.0001103700000000, 0.0003302500000000 ] - [ 0.0004320300000000, -0.0000087300000000, 0.0001382200000000 ] - [ -0.0000503200000000, 0.0010220200000000, -0.0010294900000000 ] - [ -0.0000001800000000, -0.0004811400000000, -0.0002711000000000 ] - [ 0.0000650200000000, -0.0002595700000000, -0.0016694800000000 ] - [ 0.0001678500000000, -0.0002541300000000, -0.0000486900000000 ] - [ -0.0015168600000000, -0.0022643300000000, -0.0038333600000000 ] - [ 0.0100449500000000, 0.0007015400000000, -0.0011798800000000 ] - [ -0.0003391900000000, 0.0001832500000000, 0.0004602300000000 ] - [ 0.0002266400000000, -0.0000493400000000, 0.0002330900000000 ] - [ -0.0002172600000000, 0.0001063200000000, 0.0005779100000000 ] - [ 0.0056791100000000, -0.0025863600000000, -0.0002607200000000 ] - [ 0.0002910500000000, 0.0001774600000000, 0.0001153300000000 ] - [ -0.0010426200000000, -0.0097566200000000, -0.0013419700000000 ] - [ -0.0021707600000000, -0.0010514600000000, 0.0062597200000000 ] - [ 0.0001913800000000, 0.0016241900000000, -0.0001007000000000 ] - [ 0.0001431800000000, -0.0001025500000000, -0.0007052600000000 ] - [ 0.0005665800000000, 0.0003165900000000, -0.0003741800000000 ] - [ 0.0001086700000000, 0.0004190400000000, 0.0001529600000000 ] - [ 0.0000850800000000, 0.0000567800000000, 0.0002287800000000 ] - [ 0.0001307600000000, -0.0006875800000000, -0.0002133500000000 ] - [ -0.0000591500000000, -0.0003281600000000, -0.0001985500000000 ] - [ -0.0001420100000000, -0.0002284000000000, 0.0013557500000000 ] - [ 0.0009594200000000, -0.0000188500000000, -0.0002919400000000 ] - [ 0.0005951700000000, 0.0002913400000000, 0.0004318700000000 ] - [ 0.0001413300000000, 0.0003761700000000, 0.0002035400000000 ] - [ 0.0024442800000000, -0.0053050600000000, 0.0071731900000000 ] - [ 0.0014962700000000, -0.0014860900000000, -0.0009040300000000 ] - [ 0.0001394400000000, 0.0002622600000000, -0.0004797300000000 ] - [ 0.0000110700000000, -0.0001604300000000, 0.0004226700000000 ] - [ -0.0000586800000000, -0.0003653500000000, 0.0002654400000000 ] - [ 0.0022280000000000, 0.0008591100000000, 0.0003039500000000 ] - [ -0.0019569200000000, 0.0002278700000000, 0.0000510200000000 ] - [ 0.0001325600000000, -0.0001578400000000, 0.0000110100000000 ] - [ -0.0001333300000000, -0.0002322800000000, -0.0004451100000000 ] - [ -0.0001195100000000, -0.0003701600000000, 0.0001856200000000 ] - [ 0.0000351200000000, 0.0001952500000000, 0.0000210000000000 ] - [ -0.0001502800000000, -0.0001893000000000, -0.0000936400000000 ] - [ 0.0061119900000000, -0.0010103000000000, -0.0008811300000000 ] - [ 0.0071460600000000, 0.0000456500000000, 0.0004913000000000 ] - [ -0.0003603500000000, -0.0004192600000000, 0.0001648700000000 ] - [ -0.0001679800000000, -0.0000627900000000, -0.0001395800000000 ] - [ -0.0156536400000000, 0.0162909500000000, -0.0015193100000000 ] - [ 0.0002802500000000, -0.0001658200000000, -0.0000590200000000 ] - [ -0.0047370000000000, 0.0029180400000000, -0.0003489500000000 ] - [ 0.0005910300000000, 0.0014955700000000, 0.0000095700000000 ] - [ 0.0018416000000000, 0.0016019100000000, -0.0024030000000000 ] - [ -0.0004390100000000, -0.0002547800000000, 0.0001516500000000 ] - [ -0.0001115600000000, -0.0003039900000000, -0.0000627400000000 ] - [ -0.0000054900000000, 0.0005710200000000, -0.0002210700000000 ] - [ 0.0007422200000000, -0.0014974700000000, 0.0004654900000000 ] - [ -0.0001090300000000, 0.0003599200000000, -0.0001382800000000 ] - [ 0.0004481000000000, -0.0000192500000000, -0.0003409600000000 ] - [ 0.0002164500000000, -0.0001083700000000, -0.0000041200000000 ] - [ 0.0002116700000000, 0.0006156000000000, -0.0001603300000000 ] - [ -0.0005028600000000, -0.0001007700000000, -0.0000411300000000 ] - [ -0.0002740100000000, -0.0003739500000000, 0.0002600100000000 ] - [ -0.0005106200000000, -0.0001220400000000, -0.0002342000000000 ] - [ -0.0000378300000000, 0.0001882400000000, -0.0004361200000000 ] - [ -0.0003014000000000, 0.0001782300000000, 0.0001353800000000 ] - [ -0.0000856300000000, 0.0005179600000000, 0.0001801400000000 ] - [ -0.0014611900000000, -0.0004266100000000, 0.0004080900000000 ] - [ -0.0001574800000000, -0.0001144900000000, 0.0002633700000000 ] - [ -0.0003935800000000, -0.0003690900000000, 0.0002843700000000 ] - [ -0.0002235600000000, -0.0005109100000000, -0.0000213400000000 ] - [ -0.0005303200000000, -0.0008684600000000, -0.0020631000000000 ] - [ 0.0001951300000000, -0.0030145000000000, -0.0077344500000000 ] - [ -0.0007289800000000, 0.0002610600000000, -0.0013773000000000 ] - [ 0.0012018000000000, 0.0013877100000000, 0.0027644900000000 ] - [ -0.0016198200000000, -0.0003630400000000, 0.0009692800000000 ] - [ 0.0000184000000000, -0.0000274600000000, 0.0001979900000000 ] - [ 0.0006034900000000, -0.0029734700000000, -0.0001767500000000 ] - [ 0.0001334000000000, -0.0005310100000000, 0.0001084600000000 ] - [ 0.0003543800000000, -0.0002359200000000, 0.0004237800000000 ] - [ 0.0000842300000000, -0.0003392700000000, -0.0002927900000000 ] - [ 0.0001730200000000, -0.0001203100000000, -0.0000131100000000 ] - [ -0.0001076100000000, -0.0000467800000000, -0.0001957500000000 ] - [ -0.0000018000000000, 0.0004799500000000, 0.0000176800000000 ] - [ -0.0002698800000000, -0.0000409000000000, -0.0000465000000000 ] - [ 0.0004063600000000, -0.0000888800000000, -0.0002330800000000 ] - [ 0.0000083600000000, -0.0002540400000000, 0.0001491500000000 ] - [ 0.0000253100000000, -0.0001421100000000, 0.0000383700000000 ] - [ 0.0002825200000000, -0.0000579600000000, 0.0020559700000000 ] - [ 0.0015184100000000, 0.0013999500000000, -0.0001270600000000 ] - [ 0.0001501300000000, 0.0000586300000000, 0.0003801600000000 ] - [ 0.0005192000000000, -0.0003276200000000, -0.0000647900000000 ] - [ 0.0013842900000000, -0.0006873000000000, 0.0002610800000000 ] - [ 0.0003993400000000, 0.0000465500000000, -0.0003282700000000 ] - [ -0.0002266700000000, 0.0002328900000000, -0.0000476900000000 ] - [ -0.0002603500000000, -0.0010615100000000, 0.0025512300000000 ] - [ 0.0001587400000000, -0.0004582900000000, 0.0000018900000000 ] - [ -0.0020444200000000, -0.0020047700000000, -0.0002029600000000 ]- atom: 84 displacement: [ -0.0099999639143206, 0.0000000000000000, 0.0000268647033593 ] forces: - [ 0.0000221100000000, -0.0002888300000000, 0.0001568300000000 ] - [ 0.0004205400000000, 0.0002786200000000, -0.0002818000000000 ] - [ 0.0004598300000000, -0.0000754800000000, 0.0000576600000000 ] - [ 0.0000099700000000, -0.0004106400000000, 0.0001782700000000 ] - [ 0.0011758100000000, -0.0002769500000000, 0.0001904400000000 ] - [ -0.0008499300000000, 0.0021909300000000, -0.0022514400000000 ] - [ -0.0008305100000000, 0.0001752300000000, -0.0004809100000000 ] - [ 0.0006909600000000, 0.0003332400000000, 0.0000616400000000 ] - [ 0.0000805100000000, -0.0001152200000000, -0.0000731200000000 ] - [ 0.0015603300000000, -0.0010500100000000, -0.0022794300000000 ] - [ 0.0001004400000000, 0.0003109100000000, 0.0000852500000000 ] - [ -0.0000277000000000, -0.0004756300000000, -0.0000044200000000 ] - [ 0.0005051200000000, -0.0000744700000000, 0.0002279800000000 ] - [ 0.0000772500000000, -0.0000120000000000, 0.0000053700000000 ] - [ -0.0010305000000000, 0.0002604300000000, 0.0003483500000000 ] - [ -0.0002499200000000, 0.0001939200000000, -0.0001940300000000 ] - [ -0.0018589000000000, 0.0010424500000000, 0.0000598200000000 ] - [ -0.0003314800000000, -0.0003103200000000, -0.0003947200000000 ] - [ -0.0015516800000000, 0.0004597000000000, 0.0004211000000000 ] - [ 0.0000176600000000, 0.0001636100000000, -0.0000295100000000 ] - [ 0.0012733000000000, -0.0003995400000000, 0.0001384100000000 ] - [ 0.0010194600000000, 0.0001276900000000, 0.0010661300000000 ] - [ -0.0007316800000000, -0.0002947600000000, 0.0002213600000000 ] - [ 0.0001185800000000, 0.0000443500000000, 0.0000972100000000 ] - [ 0.0012840200000000, -0.0004040400000000, 0.0005611800000000 ] - [ -0.0007385800000000, -0.0001545000000000, 0.0003601400000000 ] - [ 0.0008252900000000, -0.0000582100000000, 0.0004023200000000 ] - [ -0.0325243100000000, 0.0127685800000000, -0.0023708700000000 ] - [ -0.0001107000000000, 0.0004443900000000, 0.0014937400000000 ] - [ 0.0004141100000000, -0.0011178400000000, -0.0004589000000000 ] - [ 0.0099780400000000, 0.0091250100000000, 0.0040470400000000 ] - [ -0.0142868400000000, -0.0001758300000000, -0.0010824000000000 ] - [ -0.0005035100000000, -0.0004160700000000, 0.0008111300000000 ] - [ -0.0001429500000000, 0.0004818700000000, -0.0021993800000000 ] - [ -0.0000911000000000, -0.0003753400000000, -0.0002813500000000 ] - [ 0.0000976300000000, -0.0003532300000000, -0.0004613200000000 ] - [ -0.0001349800000000, 0.0004189000000000, 0.0001831100000000 ] - [ -0.0021935000000000, 0.0026903300000000, -0.0019706200000000 ] - [ 0.0059310700000000, 0.0019942400000000, -0.0002042100000000 ] - [ 0.0032543900000000, -0.0014418400000000, -0.0009146200000000 ] - [ -0.0002379800000000, 0.0003262200000000, -0.0000847100000000 ] - [ 0.0002783000000000, 0.0000306000000000, 0.0005626300000000 ] - [ -0.0001310000000000, -0.0000435600000000, -0.0005263000000000 ] - [ -0.0003490500000000, -0.0007462000000000, -0.0007198100000000 ] - [ -0.0022151800000000, -0.0009929800000000, -0.0001743800000000 ] - [ -0.0001737500000000, 0.0006162800000000, -0.0004613100000000 ] - [ 0.0000398300000000, 0.0000814400000000, -0.0000114900000000 ] - [ -0.0000439100000000, -0.0000044900000000, 0.0011370800000000 ] - [ -0.0001306900000000, -0.0004046600000000, -0.0000162100000000 ] - [ 0.0005310300000000, 0.0009093400000000, 0.0001422700000000 ] - [ 0.0003966800000000, 0.0000032300000000, -0.0000478400000000 ] - [ 0.0009816700000000, -0.0002032700000000, 0.0010225400000000 ] - [ 0.0001217000000000, 0.0017052200000000, 0.0002249900000000 ] - [ -0.0010511000000000, -0.0031785200000000, 0.0024090100000000 ] - [ 0.0001447400000000, -0.0000864900000000, -0.0001399800000000 ] - [ 0.0005746300000000, -0.0007197500000000, -0.0002942000000000 ] - [ -0.0000707100000000, 0.0005072100000000, 0.0001188100000000 ] - [ 0.0001544900000000, -0.0003343600000000, -0.0002126800000000 ] - [ 0.0017760400000000, -0.0024374800000000, -0.0000326100000000 ] - [ -0.0001821700000000, -0.0005543200000000, 0.0001297000000000 ] - [ 0.0001155100000000, -0.0001232800000000, -0.0005347200000000 ] - [ 0.0021204500000000, 0.0007046700000000, 0.0019247900000000 ] - [ -0.0000276700000000, 0.0001284000000000, 0.0001010300000000 ] - [ -0.0002417600000000, -0.0003425300000000, 0.0000899800000000 ] - [ -0.0003644700000000, -0.0001937100000000, -0.0000782700000000 ] - [ 0.0000284500000000, -0.0001125300000000, -0.0001272800000000 ] - [ 0.0001313800000000, 0.0001785400000000, -0.0000220000000000 ] - [ 0.0000317700000000, 0.0003169100000000, -0.0001696600000000 ] - [ 0.0004210900000000, -0.0025431700000000, -0.0034458900000000 ] - [ -0.0000059300000000, 0.0001023200000000, -0.0003832300000000 ] - [ -0.0014716100000000, -0.0015130800000000, 0.0032132500000000 ] - [ -0.1404222800000000, -0.0715033300000000, 0.0134343900000000 ] - [ -0.0031675200000000, -0.0004114600000000, -0.0017487200000000 ] - [ -0.0004600300000000, 0.0003446300000000, -0.0021990600000000 ] - [ 0.0005495600000000, -0.0002171900000000, -0.0003444100000000 ] - [ -0.0024064200000000, -0.0050763300000000, 0.0040549500000000 ] - [ 0.0000288200000000, -0.0001792500000000, -0.0000872200000000 ] - [ 0.0067389000000000, -0.0014787900000000, -0.0008424000000000 ] - [ 0.0000913400000000, -0.0002446500000000, 0.0001170300000000 ] - [ 0.0000617200000000, 0.0001445700000000, -0.0000439900000000 ] - [ -0.0679769500000000, -0.0261234200000000, 0.0063045700000000 ] - [ -0.0016728800000000, -0.0005039200000000, 0.0001586900000000 ] - [ 0.0003216000000000, -0.0000307800000000, 0.0005650100000000 ] - [ 0.2476150500000000, 0.0796573800000000, -0.0187442100000000 ] - [ -0.0001307300000000, -0.0000136000000000, 0.0003341000000000 ] - [ 0.0000542000000000, 0.0000789400000000, 0.0000775700000000 ] - [ 0.0005651000000000, -0.0011369000000000, 0.0007681700000000 ] - [ -0.0005617500000000, 0.0005646700000000, 0.0000602500000000 ] - [ -0.0004494500000000, 0.0001890200000000, 0.0020865100000000 ] - [ 0.0003058800000000, -0.0005457900000000, 0.0001155100000000 ] - [ 0.0017596200000000, 0.0023763400000000, 0.0040960700000000 ] - [ -0.0102246300000000, 0.0003901000000000, 0.0015144000000000 ] - [ -0.0001410400000000, 0.0003270600000000, 0.0003750700000000 ] - [ 0.0003438700000000, 0.0000209200000000, 0.0003393000000000 ] - [ 0.0000578200000000, -0.0012942900000000, -0.0002404100000000 ] - [ -0.0053999300000000, 0.0014576200000000, -0.0001084200000000 ] - [ -0.0000228100000000, 0.0005973900000000, 0.0001287100000000 ] - [ 0.0011706600000000, 0.0084747900000000, 0.0009808100000000 ] - [ 0.0017973900000000, 0.0010842500000000, -0.0058098300000000 ] - [ -0.0005946500000000, -0.0007475100000000, 0.0000437600000000 ] - [ -0.0000103900000000, 0.0001201500000000, -0.0001289800000000 ] - [ -0.0011361300000000, -0.0002826400000000, -0.0002049400000000 ] - [ 0.0004646700000000, -0.0003812500000000, 0.0004198100000000 ] - [ -0.0002962100000000, -0.0011828900000000, 0.0001396800000000 ] - [ 0.0001435200000000, -0.0003971500000000, -0.0001351600000000 ] - [ -0.0001757100000000, 0.0004160200000000, 0.0003931700000000 ] - [ -0.0003386300000000, 0.0002993300000000, -0.0015534500000000 ] - [ -0.0004777500000000, 0.0005313700000000, -0.0005383100000000 ] - [ -0.0003602300000000, -0.0003772500000000, -0.0006208400000000 ] - [ -0.0004736000000000, 0.0001695000000000, 0.0003782600000000 ] - [ -0.0027727400000000, 0.0047311900000000, -0.0065190600000000 ] - [ -0.0009313100000000, 0.0013974000000000, 0.0011049600000000 ] - [ 0.0001938600000000, 0.0002820600000000, -0.0001082100000000 ] - [ 0.0000563400000000, 0.0002839700000000, 0.0002405500000000 ] - [ -0.0004188900000000, -0.0001467800000000, 0.0005727500000000 ] - [ -0.0019842800000000, -0.0007694800000000, -0.0005084600000000 ] - [ 0.0025121100000000, -0.0001422500000000, 0.0001501700000000 ] - [ 0.0001927500000000, 0.0002935500000000, 0.0003203000000000 ] - [ -0.0001376800000000, -0.0005414200000000, 0.0001997200000000 ] - [ 0.0004464300000000, 0.0002264600000000, 0.0001472500000000 ] - [ -0.0005081000000000, 0.0006050600000000, -0.0000862800000000 ] - [ -0.0001257400000000, -0.0000511900000000, 0.0004249100000000 ] - [ -0.0064140500000000, 0.0008593600000000, 0.0005446900000000 ] - [ -0.0069063500000000, 0.0002931500000000, -0.0003796100000000 ] - [ -0.0000274900000000, -0.0004470800000000, -0.0002252800000000 ] - [ -0.0000652600000000, -0.0000754700000000, -0.0001440500000000 ] - [ 0.0157684000000000, -0.0158980000000000, 0.0008044300000000 ] - [ -0.0005099700000000, 0.0002990200000000, -0.0002251700000000 ] - [ 0.0056614100000000, -0.0027969600000000, 0.0004798600000000 ] - [ 0.0004019400000000, -0.0008990500000000, -0.0001359900000000 ] - [ -0.0023246300000000, -0.0016864300000000, 0.0022135000000000 ] - [ 0.0002006400000000, 0.0001647900000000, 0.0000426700000000 ] - [ -0.0001037700000000, -0.0000281100000000, -0.0000546900000000 ] - [ 0.0001571700000000, 0.0006042700000000, -0.0001206400000000 ] - [ -0.0016770000000000, 0.0016254000000000, -0.0005828800000000 ] - [ 0.0003862300000000, 0.0007241400000000, -0.0002098400000000 ] - [ 0.0004956700000000, -0.0001238400000000, 0.0004622600000000 ] - [ 0.0001760300000000, 0.0000407700000000, -0.0004115600000000 ] - [ 0.0000076700000000, 0.0005118500000000, -0.0002064000000000 ] - [ -0.0004360500000000, -0.0000404400000000, -0.0000823100000000 ] - [ -0.0000046400000000, -0.0007092000000000, 0.0000863400000000 ] - [ -0.0000570000000000, 0.0000302200000000, 0.0000248900000000 ] - [ -0.0000299200000000, -0.0000624500000000, -0.0002281400000000 ] - [ -0.0002536200000000, -0.0000064000000000, 0.0003377000000000 ] - [ -0.0001330300000000, 0.0006048700000000, 0.0001875600000000 ] - [ 0.0019352200000000, 0.0005254400000000, -0.0006527800000000 ] - [ -0.0000766900000000, -0.0000230700000000, 0.0001631200000000 ] - [ -0.0005708700000000, -0.0002187400000000, -0.0001522700000000 ] - [ -0.0002493700000000, -0.0002924300000000, -0.0000440100000000 ] - [ 0.0007548800000000, 0.0007283000000000, 0.0023358800000000 ] - [ 0.0000085000000000, 0.0028833800000000, 0.0072757800000000 ] - [ 0.0009637000000000, -0.0001302700000000, 0.0009384800000000 ] - [ -0.0007012500000000, -0.0018985900000000, -0.0036076900000000 ] - [ 0.0019861800000000, 0.0012276800000000, -0.0008982500000000 ] - [ -0.0005052200000000, -0.0000783000000000, 0.0000542500000000 ] - [ -0.0008872100000000, 0.0032271600000000, 0.0005121000000000 ] - [ 0.0001366100000000, -0.0002478100000000, 0.0001343800000000 ] - [ 0.0001346500000000, 0.0001653800000000, -0.0002065400000000 ] - [ 0.0002476000000000, -0.0002048000000000, -0.0002924400000000 ] - [ 0.0001042500000000, -0.0001189700000000, -0.0003177900000000 ] - [ 0.0002393800000000, 0.0000288900000000, -0.0006364100000000 ] - [ -0.0001489600000000, 0.0006965800000000, 0.0003190000000000 ] - [ 0.0000539500000000, 0.0003715200000000, -0.0000700100000000 ] - [ -0.0000138400000000, 0.0001538600000000, -0.0001791800000000 ] - [ -0.0004963000000000, 0.0003575900000000, 0.0001045000000000 ] - [ -0.0002581800000000, 0.0002762200000000, 0.0003848000000000 ] - [ -0.0004125800000000, 0.0000798600000000, -0.0012294300000000 ] - [ -0.0012335800000000, -0.0011797600000000, -0.0002016600000000 ] - [ 0.0000670400000000, -0.0003875900000000, -0.0002606200000000 ] - [ 0.0004444200000000, -0.0002591700000000, -0.0000664500000000 ] - [ -0.0023437500000000, 0.0012712000000000, -0.0001289500000000 ] - [ 0.0001513100000000, -0.0002155600000000, -0.0001472500000000 ] - [ -0.0000997700000000, -0.0000921800000000, -0.0002845600000000 ] - [ -0.0003147800000000, 0.0010259900000000, -0.0031124100000000 ] - [ 0.0002287700000000, -0.0004089100000000, 0.0000571100000000 ] - [ 0.0025723500000000, 0.0021688100000000, -0.0002770700000000 ]- atom: 84 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002247300000000, -0.0011536400000000, 0.0002041300000000 ] - [ 0.0000917300000000, 0.0010970000000000, -0.0003307200000000 ] - [ 0.0005015100000000, -0.0001742000000000, 0.0001751100000000 ] - [ 0.0000762100000000, -0.0010485300000000, 0.0002159800000000 ] - [ 0.0000256300000000, 0.0007828700000000, 0.0001162500000000 ] - [ -0.0019227200000000, 0.0016340300000000, 0.0017018900000000 ] - [ -0.0000190900000000, 0.0014556700000000, 0.0006246000000000 ] - [ 0.0002564500000000, -0.0003143100000000, -0.0001979200000000 ] - [ -0.0000086700000000, -0.0007588200000000, -0.0001129000000000 ] - [ 0.0004748300000000, 0.0020583500000000, 0.0000140900000000 ] - [ -0.0001122100000000, -0.0005005500000000, 0.0001702800000000 ] - [ 0.0000709500000000, -0.0012179900000000, -0.0000858100000000 ] - [ 0.0004410200000000, -0.0003609500000000, -0.0000489100000000 ] - [ 0.0000432300000000, -0.0007035100000000, -0.0001192000000000 ] - [ -0.0002189800000000, 0.0017002700000000, -0.0000230200000000 ] - [ -0.0005748100000000, -0.0002990100000000, 0.0004928600000000 ] - [ -0.0005633500000000, 0.0027389300000000, 0.0001136200000000 ] - [ -0.0001663100000000, -0.0003113400000000, -0.0005980300000000 ] - [ -0.0007610100000000, -0.0011460400000000, -0.0026153700000000 ] - [ 0.0001146700000000, -0.0005828800000000, -0.0001536200000000 ] - [ 0.0006812800000000, -0.0003000000000000, 0.0003127200000000 ] - [ 0.0005579000000000, 0.0018528800000000, -0.0000190700000000 ] - [ -0.0002198600000000, -0.0013380900000000, 0.0007258700000000 ] - [ 0.0001076200000000, -0.0005277400000000, 0.0001940200000000 ] - [ 0.0003219900000000, -0.0029248000000000, 0.0003952300000000 ] - [ -0.0002151400000000, -0.0040646100000000, -0.0004840200000000 ] - [ -0.0006510900000000, -0.0020051800000000, 0.0015489800000000 ] - [ -0.0065606700000000, 0.0270748300000000, -0.0033671500000000 ] - [ -0.0000806600000000, 0.0021689500000000, 0.0004116400000000 ] - [ 0.0005693200000000, -0.0032013200000000, -0.0004120900000000 ] - [ -0.0040930400000000, 0.0008134200000000, -0.0008321200000000 ] - [ -0.0015347100000000, 0.0273156800000000, -0.0009041500000000 ] - [ 0.0006124800000000, -0.0005997300000000, 0.0021760300000000 ] - [ -0.0002129100000000, 0.0020606300000000, -0.0001708700000000 ] - [ -0.0000834100000000, -0.0015593200000000, 0.0003760200000000 ] - [ 0.0000892400000000, -0.0012919400000000, -0.0005102700000000 ] - [ -0.0004833200000000, -0.0007358600000000, -0.0016200300000000 ] - [ -0.0015828400000000, -0.0111498200000000, 0.0084625500000000 ] - [ 0.0008206200000000, 0.0038424200000000, 0.0003122800000000 ] - [ 0.0017644200000000, -0.0011495200000000, -0.0017446700000000 ] - [ -0.0002951200000000, -0.0032193500000000, 0.0004259500000000 ] - [ 0.0003350500000000, -0.0014701800000000, 0.0004062600000000 ] - [ -0.0000503100000000, 0.0012196800000000, -0.0009402700000000 ] - [ -0.0001875600000000, -0.0005935800000000, -0.0007978600000000 ] - [ 0.0003846000000000, -0.0052269500000000, -0.0024857700000000 ] - [ -0.0006540700000000, -0.0003543400000000, 0.0009843800000000 ] - [ -0.0000227600000000, -0.0013659900000000, 0.0001174100000000 ] - [ -0.0002764400000000, 0.0009144000000000, 0.0012643700000000 ] - [ 0.0000085600000000, -0.0015328900000000, 0.0000565600000000 ] - [ -0.0018856700000000, -0.0016437400000000, -0.0000006400000000 ] - [ -0.0000687700000000, -0.0005284800000000, 0.0003662500000000 ] - [ -0.0005194400000000, 0.0001998700000000, -0.0005020900000000 ] - [ -0.0066550400000000, -0.0040061400000000, -0.0005959100000000 ] - [ 0.0012334400000000, -0.0030864400000000, 0.0013226200000000 ] - [ 0.0001565900000000, 0.0012258200000000, 0.0001607300000000 ] - [ 0.0005275800000000, -0.0012074000000000, -0.0009086200000000 ] - [ 0.0000074100000000, 0.0018525200000000, -0.0001608500000000 ] - [ 0.0000984000000000, -0.0003231200000000, 0.0000393400000000 ] - [ 0.0023262600000000, -0.0024000400000000, 0.0001066500000000 ] - [ 0.0000447500000000, -0.0027157400000000, 0.0001079700000000 ] - [ 0.0007935300000000, -0.0007463200000000, -0.0010842600000000 ] - [ -0.0001214900000000, 0.0003219700000000, -0.0012996400000000 ] - [ -0.0000681700000000, -0.0008982000000000, 0.0001214900000000 ] - [ -0.0002501300000000, -0.0008873400000000, -0.0000351900000000 ] - [ -0.0006551200000000, -0.0004959400000000, -0.0007843600000000 ] - [ 0.0006206300000000, -0.0012816500000000, 0.0000375900000000 ] - [ -0.0004054300000000, 0.0008095000000000, 0.0010118100000000 ] - [ -0.0007636600000000, -0.0006164900000000, -0.0001782500000000 ] - [ -0.0002394200000000, -0.0010104400000000, -0.0019261300000000 ] - [ -0.0004056800000000, -0.0015320200000000, 0.0011642800000000 ] - [ -0.0008652700000000, -0.0019579700000000, 0.0059986200000000 ] - [ 0.0633269400000000, 0.1277444600000000, -0.0106327200000000 ] - [ -0.0014076500000000, 0.0008326400000000, -0.0049040900000000 ] - [ -0.0023807400000000, 0.0018151300000000, 0.0021041900000000 ] - [ 0.0008445600000000, -0.0005581700000000, -0.0002699800000000 ] - [ 0.0010936500000000, 0.0004123600000000, 0.0028507000000000 ] - [ 0.0000077100000000, 0.0002087200000000, -0.0000992900000000 ] - [ 0.0003658600000000, 0.0044098900000000, -0.0001478000000000 ] - [ 0.0000295700000000, -0.0009888700000000, 0.0001226600000000 ] - [ -0.0003004200000000, -0.0015029500000000, -0.0001526100000000 ] - [ 0.0162951600000000, -0.0169197600000000, -0.0009649600000000 ] - [ 0.0004882900000000, -0.0005094100000000, 0.0009978700000000 ] - [ -0.0005395700000000, 0.0013705700000000, -0.0016468300000000 ] - [ -0.0729009400000000, -0.2433425500000000, 0.0221307500000000 ] - [ 0.0003074200000000, 0.0016955400000000, 0.0003991700000000 ] - [ 0.0000600600000000, 0.0005286000000000, -0.0002230300000000 ] - [ 0.0032387600000000, -0.0008613000000000, -0.0026864300000000 ] - [ -0.0004946700000000, 0.0007808500000000, 0.0003490500000000 ] - [ 0.0003397100000000, -0.0013435800000000, -0.0015405300000000 ] - [ 0.0004726400000000, -0.0016739200000000, -0.0001500600000000 ] - [ -0.0008084400000000, 0.0025020900000000, 0.0065114500000000 ] - [ 0.0001949200000000, -0.0063025500000000, -0.0001728000000000 ] - [ 0.0000344400000000, 0.0007593000000000, 0.0007846500000000 ] - [ 0.0001479000000000, 0.0007142100000000, -0.0000970700000000 ] - [ 0.0016646900000000, 0.0039403500000000, 0.0011896100000000 ] - [ -0.0094731400000000, -0.0002165200000000, 0.0003533000000000 ] - [ 0.0003703200000000, 0.0022124500000000, 0.0001963400000000 ] - [ -0.0015269500000000, 0.0050495100000000, 0.0011653800000000 ] - [ -0.0008487300000000, 0.0015872000000000, -0.0093903400000000 ] - [ 0.0031630900000000, 0.0007985000000000, -0.0007886700000000 ] - [ -0.0001266400000000, 0.0006790400000000, 0.0002804300000000 ] - [ -0.0003363900000000, -0.0004743900000000, -0.0011154700000000 ] - [ 0.0008260200000000, 0.0024379800000000, -0.0002049800000000 ] - [ 0.0005570900000000, 0.0013487100000000, 0.0002288700000000 ] - [ 0.0002223900000000, 0.0006093400000000, -0.0001714500000000 ] - [ -0.0013293400000000, 0.0015189600000000, 0.0008570800000000 ] - [ -0.0011099100000000, -0.0002688100000000, -0.0032605300000000 ] - [ 0.0005926000000000, -0.0004968300000000, -0.0000422800000000 ] - [ 0.0007031700000000, -0.0000007400000000, 0.0004650800000000 ] - [ -0.0001046600000000, -0.0006562400000000, -0.0001373800000000 ] - [ -0.0022655700000000, -0.0018255700000000, -0.0034479800000000 ] - [ -0.0000222500000000, 0.0003763000000000, 0.0010622700000000 ] - [ 0.0004747400000000, 0.0016974700000000, -0.0012715100000000 ] - [ -0.0001424300000000, 0.0012864300000000, -0.0001102800000000 ] - [ -0.0005863800000000, 0.0005928400000000, 0.0006111300000000 ] - [ -0.0000983500000000, -0.0001156700000000, 0.0007020100000000 ] - [ 0.0011520800000000, 0.0008658100000000, 0.0021490100000000 ] - [ 0.0002653200000000, 0.0010693500000000, 0.0002217200000000 ] - [ -0.0003136800000000, -0.0019062900000000, -0.0000985200000000 ] - [ -0.0000799100000000, 0.0025071800000000, -0.0000295000000000 ] - [ -0.0003967900000000, 0.0018776500000000, -0.0000428600000000 ] - [ -0.0000088600000000, -0.0001201100000000, 0.0002176600000000 ] - [ -0.0047369000000000, -0.0022050700000000, 0.0004839900000000 ] - [ 0.0005041200000000, -0.0032629500000000, 0.0001720100000000 ] - [ -0.0001679800000000, -0.0007635600000000, -0.0004112300000000 ] - [ 0.0002458000000000, 0.0006065600000000, 0.0002027000000000 ] - [ 0.0211423700000000, 0.0688579400000000, -0.0118258200000000 ] - [ -0.0002811400000000, 0.0009339400000000, 0.0002265600000000 ] - [ 0.0050612500000000, 0.0121914100000000, -0.0002866000000000 ] - [ 0.0035041000000000, 0.0029965200000000, 0.0006473700000000 ] - [ 0.0006531300000000, -0.0007090700000000, -0.0006441600000000 ] - [ 0.0000502700000000, 0.0005586000000000, 0.0005737800000000 ] - [ -0.0001331400000000, 0.0008949500000000, -0.0000556200000000 ] - [ 0.0000418100000000, 0.0007723800000000, 0.0003714700000000 ] - [ -0.0023366400000000, 0.0022127000000000, -0.0003407200000000 ] - [ -0.0000151000000000, 0.0027302800000000, -0.0002289100000000 ] - [ 0.0005609300000000, -0.0003747500000000, 0.0000482600000000 ] - [ 0.0002881300000000, 0.0006041000000000, -0.0007430000000000 ] - [ 0.0000974900000000, 0.0000473800000000, -0.0002791200000000 ] - [ -0.0002945200000000, 0.0005154900000000, 0.0000806500000000 ] - [ 0.0000174700000000, -0.0020575300000000, 0.0002797700000000 ] - [ 0.0005564100000000, 0.0012576400000000, 0.0006876600000000 ] - [ -0.0001324600000000, -0.0010854500000000, -0.0006028900000000 ] - [ -0.0004305800000000, 0.0011401000000000, -0.0002463500000000 ] - [ -0.0001377000000000, 0.0012392500000000, 0.0001898100000000 ] - [ 0.0016252900000000, 0.0015050800000000, -0.0020469500000000 ] - [ 0.0001006600000000, 0.0011049300000000, 0.0001613700000000 ] - [ -0.0007013100000000, -0.0003445200000000, -0.0001748100000000 ] - [ -0.0003153600000000, 0.0005830500000000, -0.0000305300000000 ] - [ 0.0005504600000000, -0.0000904900000000, 0.0015748600000000 ] - [ -0.0006939000000000, -0.0015172600000000, 0.0052853600000000 ] - [ -0.0000863000000000, -0.0018019300000000, 0.0024446000000000 ] - [ 0.0012405000000000, -0.0010591400000000, 0.0012485100000000 ] - [ 0.0001891400000000, 0.0030617600000000, 0.0000690000000000 ] - [ 0.0002576300000000, 0.0007201800000000, -0.0003759700000000 ] - [ -0.0019638200000000, 0.0036866800000000, 0.0004660500000000 ] - [ 0.0000177300000000, 0.0008448100000000, 0.0000661300000000 ] - [ 0.0000512200000000, 0.0008289900000000, -0.0003017400000000 ] - [ 0.0000900800000000, 0.0007999000000000, -0.0002559100000000 ] - [ 0.0003099300000000, 0.0003236200000000, -0.0001173800000000 ] - [ 0.0001292300000000, 0.0008357700000000, 0.0001199300000000 ] - [ -0.0000751200000000, 0.0009149700000000, 0.0002285000000000 ] - [ 0.0000024900000000, 0.0022334000000000, -0.0000519900000000 ] - [ 0.0000696700000000, 0.0007567900000000, -0.0002587900000000 ] - [ -0.0008290200000000, 0.0007846900000000, 0.0000175500000000 ] - [ -0.0002720300000000, 0.0009358300000000, 0.0006713400000000 ] - [ -0.0000427400000000, -0.0006801200000000, 0.0016391100000000 ] - [ 0.0008652400000000, 0.0007085700000000, -0.0000833900000000 ] - [ -0.0000210800000000, -0.0016069200000000, -0.0000716900000000 ] - [ 0.0003214300000000, 0.0001663600000000, -0.0002825500000000 ] - [ -0.0021427900000000, 0.0017310300000000, -0.0002458900000000 ] - [ 0.0006076600000000, -0.0002468500000000, -0.0006171700000000 ] - [ -0.0000466600000000, -0.0011052900000000, 0.0000338200000000 ] - [ -0.0009029800000000, -0.0005706800000000, -0.0027358000000000 ] - [ 0.0001364700000000, 0.0001068100000000, -0.0001147600000000 ] - [ -0.0020937800000000, 0.0005246800000000, -0.0030974700000000 ]- atom: 84 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000364800000000, 0.0009327300000000, -0.0000166300000000 ] - [ -0.0002225300000000, -0.0006492100000000, 0.0002755100000000 ] - [ 0.0001190900000000, 0.0001655800000000, -0.0003157100000000 ] - [ 0.0000159000000000, 0.0003785700000000, 0.0000626500000000 ] - [ -0.0001159300000000, -0.0014458000000000, -0.0003893100000000 ] - [ 0.0017505700000000, -0.0017994200000000, -0.0019263300000000 ] - [ -0.0001723000000000, -0.0012406000000000, -0.0008036800000000 ] - [ 0.0006150700000000, 0.0006527300000000, 0.0004166500000000 ] - [ 0.0000686600000000, 0.0006470700000000, -0.0000047400000000 ] - [ -0.0005402400000000, -0.0019286900000000, 0.0001119800000000 ] - [ 0.0002049200000000, 0.0011656000000000, 0.0001063800000000 ] - [ 0.0000603600000000, 0.0007697000000000, 0.0001398300000000 ] - [ 0.0004303900000000, 0.0000192200000000, 0.0002694000000000 ] - [ 0.0000172400000000, 0.0008099200000000, 0.0000032700000000 ] - [ 0.0001550500000000, -0.0018029600000000, 0.0001277100000000 ] - [ -0.0000435800000000, 0.0002863400000000, -0.0003504800000000 ] - [ 0.0004938500000000, -0.0031215000000000, -0.0001007700000000 ] - [ -0.0007044600000000, -0.0000251200000000, 0.0003736300000000 ] - [ -0.0001108000000000, 0.0014777600000000, 0.0024024300000000 ] - [ 0.0000175700000000, 0.0010256700000000, 0.0002047900000000 ] - [ -0.0000623700000000, 0.0003046000000000, -0.0004561200000000 ] - [ -0.0006492000000000, -0.0011728400000000, -0.0002604700000000 ] - [ -0.0003999700000000, 0.0013408200000000, -0.0005768400000000 ] - [ 0.0000820200000000, 0.0007435900000000, -0.0000049200000000 ] - [ 0.0001875800000000, 0.0025872200000000, 0.0005099000000000 ] - [ 0.0003018700000000, 0.0035822200000000, 0.0007709700000000 ] - [ 0.0002607300000000, 0.0009778300000000, -0.0008724700000000 ] - [ 0.0049993600000000, -0.0262573600000000, 0.0022531800000000 ] - [ -0.0000041600000000, -0.0016880700000000, -0.0006921000000000 ] - [ -0.0003825400000000, 0.0035052300000000, -0.0004466200000000 ] - [ 0.0038701800000000, -0.0005722100000000, 0.0016730200000000 ] - [ 0.0025272200000000, -0.0278317100000000, 0.0007812800000000 ] - [ -0.0010074400000000, 0.0016140900000000, -0.0015086800000000 ] - [ -0.0002959000000000, -0.0017313600000000, -0.0007340700000000 ] - [ -0.0000302500000000, 0.0011829000000000, -0.0004555700000000 ] - [ 0.0000927300000000, 0.0009658900000000, -0.0003475400000000 ] - [ 0.0008552500000000, 0.0009252500000000, 0.0015139900000000 ] - [ 0.0019774300000000, 0.0101434200000000, -0.0091716400000000 ] - [ -0.0008846900000000, -0.0042767700000000, -0.0005957200000000 ] - [ -0.0013888500000000, 0.0009551900000000, 0.0016497900000000 ] - [ 0.0001781500000000, 0.0035737200000000, -0.0004986200000000 ] - [ 0.0001742800000000, 0.0017905900000000, 0.0004991200000000 ] - [ 0.0001642800000000, -0.0015794700000000, 0.0010164700000000 ] - [ -0.0001904400000000, 0.0007659700000000, 0.0008942800000000 ] - [ -0.0007581700000000, 0.0050165300000000, 0.0025604300000000 ] - [ 0.0010398800000000, 0.0013818800000000, -0.0016435000000000 ] - [ 0.0001072800000000, 0.0018386900000000, 0.0001639700000000 ] - [ 0.0000927100000000, -0.0012237700000000, -0.0003992700000000 ] - [ -0.0003391700000000, 0.0010492000000000, -0.0001044000000000 ] - [ 0.0019610400000000, 0.0020165700000000, 0.0001639100000000 ] - [ 0.0005075500000000, 0.0006050500000000, -0.0010587500000000 ] - [ 0.0008089600000000, -0.0003398500000000, 0.0010468700000000 ] - [ 0.0070070300000000, 0.0046588800000000, 0.0003637000000000 ] - [ -0.0016581200000000, 0.0037470300000000, -0.0010814200000000 ] - [ 0.0001747600000000, -0.0016958000000000, -0.0001116300000000 ] - [ -0.0002333600000000, 0.0004329400000000, 0.0004478800000000 ] - [ 0.0000210300000000, -0.0012376300000000, -0.0000528900000000 ] - [ 0.0003155000000000, -0.0003553300000000, -0.0002678300000000 ] - [ -0.0023698000000000, 0.0027547700000000, -0.0002679300000000 ] - [ -0.0000719100000000, 0.0021009600000000, 0.0001066900000000 ] - [ -0.0010817900000000, 0.0008854500000000, 0.0005336000000000 ] - [ 0.0004034400000000, -0.0001810200000000, 0.0018315100000000 ] - [ 0.0000395000000000, 0.0014984600000000, 0.0000931800000000 ] - [ -0.0001637500000000, 0.0002147600000000, 0.0002646300000000 ] - [ 0.0003607000000000, 0.0003511400000000, 0.0002424700000000 ] - [ -0.0003634000000000, 0.0010179100000000, -0.0001729800000000 ] - [ 0.0001470100000000, -0.0005412200000000, -0.0008669700000000 ] - [ 0.0010510500000000, 0.0013843100000000, -0.0002839200000000 ] - [ -0.0000486100000000, 0.0017573700000000, 0.0023571800000000 ] - [ 0.0006610500000000, 0.0017933600000000, -0.0013074800000000 ] - [ 0.0004267300000000, 0.0018674700000000, -0.0052714700000000 ] - [ -0.0692741900000000, -0.1320059900000000, 0.0116732800000000 ] - [ 0.0011048200000000, -0.0015824700000000, 0.0053261500000000 ] - [ 0.0019581300000000, -0.0017471300000000, -0.0013885300000000 ] - [ -0.0004041100000000, 0.0004765500000000, -0.0004300200000000 ] - [ -0.0013697900000000, -0.0007133800000000, -0.0026856600000000 ] - [ -0.0000707000000000, -0.0005937100000000, -0.0000634000000000 ] - [ -0.0003342200000000, -0.0050456800000000, -0.0000672000000000 ] - [ 0.0000339100000000, 0.0006072300000000, 0.0000405200000000 ] - [ -0.0000312700000000, 0.0019755000000000, 0.0001040300000000 ] - [ -0.0152822900000000, 0.0179531400000000, 0.0010020200000000 ] - [ -0.0006241700000000, 0.0004832300000000, -0.0001432100000000 ] - [ -0.0000200900000000, -0.0015657000000000, 0.0021225700000000 ] - [ 0.0791628900000000, 0.2494172300000000, -0.0232019100000000 ] - [ -0.0002269600000000, -0.0017681100000000, 0.0002632700000000 ] - [ 0.0004089600000000, -0.0004547200000000, 0.0004156500000000 ] - [ -0.0027964400000000, 0.0007920500000000, 0.0024466400000000 ] - [ -0.0000520000000000, -0.0006927300000000, -0.0005546400000000 ] - [ -0.0007261700000000, 0.0012671300000000, 0.0019154600000000 ] - [ 0.0000485400000000, 0.0008794900000000, 0.0002103200000000 ] - [ 0.0010475300000000, -0.0023560000000000, -0.0061616500000000 ] - [ -0.0004737700000000, 0.0073789500000000, 0.0005278500000000 ] - [ -0.0005175800000000, -0.0002534200000000, 0.0000520600000000 ] - [ 0.0004273600000000, -0.0007411100000000, 0.0006813900000000 ] - [ -0.0017983000000000, -0.0051006700000000, -0.0008427400000000 ] - [ 0.0095768000000000, -0.0008894800000000, -0.0007120700000000 ] - [ -0.0000770500000000, -0.0014487300000000, 0.0000479200000000 ] - [ 0.0016838000000000, -0.0062022100000000, -0.0014956700000000 ] - [ 0.0004729100000000, -0.0015261800000000, 0.0096966900000000 ] - [ -0.0035414000000000, 0.0000705400000000, 0.0007322400000000 ] - [ 0.0002584600000000, -0.0006581800000000, -0.0011251800000000 ] - [ -0.0002413100000000, 0.0004963800000000, 0.0005230700000000 ] - [ -0.0002527000000000, -0.0024159000000000, 0.0007946500000000 ] - [ -0.0007882500000000, -0.0024526900000000, 0.0001381400000000 ] - [ 0.0000303000000000, -0.0016774900000000, -0.0001781800000000 ] - [ 0.0010607600000000, -0.0014005900000000, -0.0006479600000000 ] - [ 0.0006346500000000, 0.0003370400000000, 0.0030502200000000 ] - [ -0.0001069800000000, 0.0009946300000000, -0.0007965900000000 ] - [ -0.0004382400000000, -0.0001152000000000, -0.0006688700000000 ] - [ -0.0002220700000000, 0.0011959600000000, 0.0007220700000000 ] - [ 0.0019110800000000, 0.0013265400000000, 0.0040085600000000 ] - [ 0.0005594400000000, -0.0004431100000000, -0.0008503200000000 ] - [ -0.0001479200000000, -0.0011503100000000, 0.0006865600000000 ] - [ 0.0002219400000000, -0.0012033700000000, 0.0007731600000000 ] - [ 0.0001012000000000, -0.0010928600000000, 0.0002295200000000 ] - [ 0.0003687400000000, 0.0002338700000000, -0.0009006300000000 ] - [ -0.0005955100000000, -0.0007874400000000, -0.0019319400000000 ] - [ 0.0000515900000000, -0.0009615100000000, 0.0001130600000000 ] - [ 0.0000205000000000, 0.0011433800000000, -0.0001454400000000 ] - [ 0.0003958400000000, -0.0026009300000000, 0.0003623800000000 ] - [ -0.0001250900000000, -0.0010838100000000, -0.0000177200000000 ] - [ -0.0002790400000000, -0.0000988300000000, 0.0001168400000000 ] - [ 0.0044677700000000, 0.0021083200000000, -0.0008202600000000 ] - [ -0.0002896100000000, 0.0035849800000000, -0.0000464800000000 ] - [ -0.0002353600000000, -0.0001094300000000, 0.0003601800000000 ] - [ -0.0004909800000000, -0.0007422100000000, -0.0004915700000000 ] - [ -0.0217701900000000, -0.0703588100000000, 0.0113990200000000 ] - [ 0.0000331900000000, -0.0007922900000000, -0.0005186500000000 ] - [ -0.0040528700000000, -0.0118625700000000, 0.0004043100000000 ] - [ -0.0025838900000000, -0.0024309600000000, -0.0007803200000000 ] - [ -0.0011180800000000, 0.0006516800000000, 0.0004306000000000 ] - [ -0.0003081400000000, -0.0006658900000000, -0.0003728500000000 ] - [ -0.0000701300000000, -0.0012189900000000, -0.0000651800000000 ] - [ 0.0001088700000000, 0.0004133800000000, -0.0007058500000000 ] - [ 0.0013848600000000, -0.0020533300000000, 0.0002112800000000 ] - [ 0.0002701000000000, -0.0016501000000000, -0.0001223600000000 ] - [ 0.0003896500000000, 0.0002246500000000, 0.0000785700000000 ] - [ 0.0000962400000000, -0.0006775300000000, 0.0003550500000000 ] - [ 0.0001281900000000, 0.0010640300000000, -0.0000879700000000 ] - [ -0.0006560800000000, -0.0006669300000000, -0.0002064400000000 ] - [ -0.0002716800000000, 0.0009770300000000, 0.0000701600000000 ] - [ -0.0010981500000000, -0.0013364000000000, -0.0008875900000000 ] - [ 0.0000531900000000, 0.0011564000000000, -0.0000622200000000 ] - [ -0.0001356800000000, -0.0009419900000000, 0.0007053200000000 ] - [ -0.0000882900000000, -0.0001307800000000, 0.0001774800000000 ] - [ -0.0011568100000000, -0.0014138700000000, 0.0017937900000000 ] - [ -0.0003318200000000, -0.0012489200000000, 0.0002743900000000 ] - [ -0.0002384400000000, -0.0002200400000000, 0.0003027100000000 ] - [ -0.0002052400000000, -0.0013675000000000, -0.0000295300000000 ] - [ -0.0003013500000000, -0.0000386400000000, -0.0012688200000000 ] - [ 0.0009025000000000, 0.0014082800000000, -0.0056701000000000 ] - [ 0.0003192700000000, 0.0019280100000000, -0.0028669400000000 ] - [ -0.0007499400000000, 0.0005687800000000, -0.0020652800000000 ] - [ 0.0002272800000000, -0.0021861000000000, -0.0000234600000000 ] - [ -0.0007175100000000, -0.0008053000000000, 0.0006180700000000 ] - [ 0.0016656700000000, -0.0034406100000000, -0.0001294800000000 ] - [ 0.0002743300000000, -0.0015967400000000, 0.0001777900000000 ] - [ 0.0004179700000000, -0.0008959900000000, 0.0004916400000000 ] - [ 0.0002374300000000, -0.0013427600000000, -0.0003336600000000 ] - [ -0.0000208000000000, -0.0005470400000000, -0.0002169800000000 ] - [ 0.0000043800000000, -0.0008517300000000, -0.0009750700000000 ] - [ -0.0000757300000000, 0.0002807400000000, 0.0001083700000000 ] - [ -0.0002063900000000, -0.0018983300000000, -0.0000685500000000 ] - [ 0.0003136300000000, -0.0006773300000000, -0.0001235300000000 ] - [ 0.0003674000000000, -0.0006936400000000, 0.0002277600000000 ] - [ 0.0000387200000000, -0.0007836900000000, -0.0002355400000000 ] - [ -0.0000882100000000, 0.0006967200000000, -0.0007784800000000 ] - [ -0.0005809200000000, -0.0004695700000000, -0.0002520800000000 ] - [ 0.0002245600000000, 0.0012710100000000, 0.0001905600000000 ] - [ 0.0006173600000000, -0.0007349200000000, 0.0001534100000000 ] - [ 0.0011899400000000, -0.0011534000000000, 0.0003717700000000 ] - [ -0.0000394400000000, 0.0000480300000000, 0.0001522800000000 ] - [ -0.0002693500000000, 0.0012002800000000, -0.0003668100000000 ] - [ 0.0003293800000000, 0.0005510500000000, 0.0021308500000000 ] - [ 0.0002686700000000, -0.0009826800000000, 0.0001647500000000 ] - [ 0.0026832600000000, -0.0003100400000000, 0.0026423500000000 ]- atom: 84 displacement: [ -0.0035230240541542, 0.0000000000000000, 0.0093588621911988 ] forces: - [ 0.0000551200000000, -0.0001084500000000, 0.0001679900000000 ] - [ 0.0004075700000000, 0.0002382300000000, -0.0004467400000000 ] - [ 0.0002353800000000, 0.0000933600000000, -0.0002236600000000 ] - [ 0.0000141800000000, -0.0003059800000000, 0.0001315100000000 ] - [ 0.0000006800000000, -0.0003303300000000, -0.0003236500000000 ] - [ 0.0012403400000000, 0.0025002700000000, -0.0010510500000000 ] - [ 0.0000127700000000, 0.0006336100000000, -0.0012296600000000 ] - [ 0.0004812400000000, 0.0001203700000000, 0.0002294800000000 ] - [ 0.0000346400000000, -0.0000631600000000, -0.0000801000000000 ] - [ 0.0012630400000000, -0.0004035000000000, -0.0009060200000000 ] - [ 0.0000793000000000, 0.0003609100000000, 0.0001217800000000 ] - [ 0.0000043000000000, -0.0003213800000000, 0.0000631100000000 ] - [ 0.0004871200000000, -0.0001596100000000, 0.0000792500000000 ] - [ 0.0000573800000000, 0.0000616500000000, -0.0000113500000000 ] - [ -0.0010751100000000, -0.0003639700000000, -0.0012632300000000 ] - [ -0.0002438800000000, 0.0001292100000000, -0.0001512300000000 ] - [ -0.0005840900000000, -0.0000341500000000, 0.0021180900000000 ] - [ -0.0002507100000000, -0.0003745400000000, -0.0004348600000000 ] - [ -0.0012189100000000, -0.0002290400000000, 0.0005481500000000 ] - [ 0.0000655100000000, 0.0001805000000000, -0.0000318300000000 ] - [ 0.0005067600000000, 0.0000448800000000, 0.0002243700000000 ] - [ -0.0001279600000000, 0.0000714700000000, 0.0003442800000000 ] - [ -0.0004632800000000, 0.0003357800000000, 0.0002909500000000 ] - [ 0.0001196600000000, 0.0001178600000000, 0.0000415600000000 ] - [ 0.0007991200000000, -0.0001464100000000, 0.0007290400000000 ] - [ -0.0003312800000000, 0.0000687000000000, 0.0004195200000000 ] - [ 0.0002812300000000, 0.0000178900000000, 0.0005697900000000 ] - [ -0.0104284300000000, 0.0011179300000000, 0.0099701400000000 ] - [ -0.0002908900000000, 0.0002949900000000, -0.0007064500000000 ] - [ 0.0001997900000000, -0.0000579100000000, -0.0001496300000000 ] - [ 0.0048723000000000, 0.0040694400000000, 0.0022490100000000 ] - [ -0.0062941800000000, 0.0009674600000000, 0.0097415600000000 ] - [ -0.0003422000000000, 0.0008377200000000, -0.0000950900000000 ] - [ -0.0000810200000000, 0.0002630500000000, -0.0024434900000000 ] - [ 0.0000261400000000, -0.0002510000000000, -0.0003943900000000 ] - [ -0.0000061200000000, -0.0002242200000000, -0.0006584900000000 ] - [ -0.0002257300000000, -0.0004403800000000, -0.0007743500000000 ] - [ -0.0001696600000000, 0.0025268200000000, -0.0019398600000000 ] - [ 0.0020834100000000, 0.0006012500000000, 0.0011541900000000 ] - [ 0.0020069000000000, -0.0012368700000000, 0.0002642300000000 ] - [ -0.0001586500000000, 0.0003213600000000, 0.0002102800000000 ] - [ 0.0001903000000000, 0.0001329000000000, 0.0002557100000000 ] - [ 0.0001537300000000, -0.0002067800000000, -0.0017352600000000 ] - [ -0.0002637200000000, -0.0009989700000000, -0.0008080500000000 ] - [ -0.0010385500000000, -0.0013816200000000, 0.0010312600000000 ] - [ 0.0006436100000000, 0.0012603000000000, -0.0012581700000000 ] - [ 0.0000753000000000, 0.0002594000000000, -0.0001790000000000 ] - [ -0.0002080700000000, -0.0000905900000000, -0.0008079500000000 ] - [ -0.0001832600000000, -0.0001828200000000, -0.0000415500000000 ] - [ 0.0005435000000000, 0.0006513400000000, 0.0001405500000000 ] - [ 0.0003550400000000, 0.0001291300000000, -0.0003432000000000 ] - [ 0.0000745900000000, -0.0001013500000000, 0.0002151200000000 ] - [ 0.0002317300000000, 0.0010900700000000, 0.0003899800000000 ] - [ -0.0009238700000000, -0.0015166900000000, 0.0014371300000000 ] - [ 0.0004835100000000, -0.0001988500000000, -0.0002690100000000 ] - [ 0.0005232100000000, -0.0006535100000000, -0.0002583500000000 ] - [ -0.0002342600000000, 0.0002657100000000, -0.0002446900000000 ] - [ 0.0005728800000000, -0.0002109900000000, -0.0003699900000000 ] - [ 0.0004114700000000, -0.0004487600000000, 0.0000944800000000 ] - [ -0.0000758700000000, -0.0003472000000000, 0.0001238900000000 ] - [ 0.0000823600000000, -0.0000906300000000, -0.0004167900000000 ] - [ 0.0008936900000000, 0.0002665200000000, 0.0006780500000000 ] - [ -0.0000240100000000, 0.0002028400000000, 0.0000938000000000 ] - [ -0.0000352100000000, -0.0006299000000000, -0.0000955700000000 ] - [ -0.0003519800000000, -0.0001973200000000, -0.0000892800000000 ] - [ -0.0000003200000000, 0.0001075300000000, -0.0000837300000000 ] - [ 0.0001749700000000, 0.0000929200000000, -0.0001813100000000 ] - [ -0.0000647200000000, 0.0002192800000000, -0.0001550100000000 ] - [ 0.0003232500000000, -0.0033400200000000, -0.0041750200000000 ] - [ 0.0002091000000000, 0.0003518600000000, -0.0001883800000000 ] - [ -0.0001175500000000, 0.0002565600000000, -0.0017845500000000 ] - [ -0.0596800400000000, -0.0340770300000000, 0.0565376600000000 ] - [ -0.0010685500000000, -0.0016699400000000, -0.0016552100000000 ] - [ 0.0000538300000000, 0.0000051700000000, -0.0006925100000000 ] - [ 0.0001358800000000, 0.0000392600000000, -0.0003346000000000 ] - [ -0.0001943000000000, 0.0003137400000000, -0.0007684600000000 ] - [ -0.0002871600000000, -0.0002587300000000, -0.0001806300000000 ] - [ 0.0030919400000000, -0.0009327300000000, -0.0003838700000000 ] - [ -0.0000921300000000, -0.0001387600000000, 0.0000381800000000 ] - [ -0.0000602400000000, 0.0003062900000000, -0.0000097000000000 ] - [ -0.0309297000000000, -0.0111345000000000, -0.0148765100000000 ] - [ 0.0000809600000000, 0.0001174800000000, -0.0000766600000000 ] - [ -0.0002107000000000, -0.0003599400000000, 0.0004724500000000 ] - [ 0.1030344300000000, 0.0488617400000000, -0.0462714600000000 ] - [ -0.0000169600000000, -0.0001815600000000, 0.0002194300000000 ] - [ 0.0002442900000000, 0.0000043400000000, 0.0002158900000000 ] - [ 0.0000088900000000, -0.0005497500000000, 0.0002787900000000 ] - [ -0.0005384600000000, 0.0005567000000000, -0.0000914700000000 ] - [ -0.0004332800000000, 0.0000076600000000, 0.0014288100000000 ] - [ 0.0000863600000000, -0.0004890900000000, 0.0005120800000000 ] - [ -0.0004609500000000, 0.0028852400000000, 0.0009358400000000 ] - [ -0.0052087400000000, 0.0005563200000000, -0.0006885300000000 ] - [ -0.0001578500000000, 0.0002951900000000, 0.0004328000000000 ] - [ 0.0003030800000000, -0.0001867700000000, 0.0004268400000000 ] - [ -0.0000030800000000, -0.0011538800000000, -0.0002316400000000 ] - [ -0.0006583800000000, 0.0001880200000000, -0.0002622400000000 ] - [ 0.0000729600000000, 0.0003941800000000, 0.0000686000000000 ] - [ 0.0007865700000000, 0.0037452600000000, 0.0001732500000000 ] - [ 0.0025967900000000, -0.0032855600000000, 0.0006134700000000 ] - [ -0.0004457600000000, -0.0002162600000000, -0.0006625200000000 ] - [ 0.0000002700000000, 0.0000863700000000, -0.0001949900000000 ] - [ -0.0006691800000000, -0.0001853000000000, -0.0003352300000000 ] - [ 0.0003569900000000, -0.0002413300000000, 0.0003043900000000 ] - [ -0.0002974800000000, -0.0010382800000000, 0.0001249800000000 ] - [ 0.0001096100000000, -0.0004954800000000, -0.0001118300000000 ] - [ -0.0002793400000000, 0.0003803700000000, 0.0001260000000000 ] - [ 0.0001743800000000, 0.0001358300000000, 0.0012922900000000 ] - [ 0.0000037900000000, 0.0003331400000000, 0.0000185400000000 ] - [ 0.0003001100000000, 0.0001126700000000, 0.0001350000000000 ] - [ -0.0003373100000000, 0.0002044300000000, 0.0008231200000000 ] - [ 0.0019443200000000, -0.0022973100000000, -0.0012954800000000 ] - [ -0.0013785500000000, 0.0022132900000000, 0.0010948300000000 ] - [ 0.0001142700000000, 0.0001364200000000, -0.0000901300000000 ] - [ 0.0000210800000000, -0.0000373200000000, 0.0004542500000000 ] - [ -0.0003412500000000, -0.0002009000000000, 0.0003851900000000 ] - [ -0.0007510300000000, -0.0001557800000000, -0.0003229500000000 ] - [ 0.0010493200000000, 0.0010352100000000, 0.0005216100000000 ] - [ 0.0001722500000000, 0.0002600700000000, 0.0003435000000000 ] - [ -0.0004364200000000, -0.0004653300000000, 0.0004025500000000 ] - [ 0.0002490100000000, 0.0000492900000000, -0.0000101500000000 ] - [ -0.0003392000000000, 0.0004007100000000, -0.0000903800000000 ] - [ 0.0000556600000000, -0.0000322700000000, 0.0004633400000000 ] - [ -0.0033252700000000, 0.0004233900000000, -0.0000047300000000 ] - [ -0.0032818600000000, 0.0003849200000000, -0.0002382500000000 ] - [ -0.0003986600000000, -0.0005660000000000, 0.0002606100000000 ] - [ -0.0000278100000000, 0.0000589200000000, -0.0000549000000000 ] - [ 0.0039172100000000, -0.0146483100000000, -0.0159869300000000 ] - [ -0.0003770200000000, 0.0002513700000000, -0.0002931300000000 ] - [ 0.0021667200000000, -0.0016303100000000, -0.0019544700000000 ] - [ -0.0000966600000000, -0.0006663600000000, -0.0002522600000000 ] - [ -0.0009403900000000, -0.0004898200000000, 0.0005402100000000 ] - [ 0.0001819100000000, 0.0001916500000000, 0.0000404800000000 ] - [ -0.0000857800000000, -0.0001362200000000, -0.0000167400000000 ] - [ 0.0000327400000000, 0.0008421800000000, 0.0002382200000000 ] - [ -0.0009820000000000, 0.0008632000000000, -0.0004571000000000 ] - [ 0.0002569900000000, 0.0005312700000000, -0.0002268600000000 ] - [ 0.0001911300000000, -0.0000774700000000, 0.0005942100000000 ] - [ 0.0001757200000000, -0.0000740500000000, -0.0001209800000000 ] - [ 0.0003185400000000, 0.0006135300000000, 0.0001310500000000 ] - [ -0.0004624500000000, 0.0000665700000000, 0.0000794400000000 ] - [ 0.0000345000000000, -0.0005396000000000, 0.0005328300000000 ] - [ -0.0000907800000000, 0.0002686100000000, -0.0000530400000000 ] - [ -0.0003019900000000, 0.0000797800000000, 0.0001256200000000 ] - [ -0.0003048300000000, -0.0002043200000000, 0.0002356000000000 ] - [ -0.0000576100000000, 0.0005211200000000, 0.0002279400000000 ] - [ 0.0001535800000000, -0.0008737000000000, 0.0007213000000000 ] - [ -0.0000462300000000, -0.0000037100000000, 0.0000454100000000 ] - [ -0.0002831000000000, -0.0002782600000000, 0.0001706600000000 ] - [ -0.0002078100000000, -0.0004016800000000, 0.0000069800000000 ] - [ 0.0005951600000000, 0.0010222800000000, 0.0026583700000000 ] - [ -0.0026846000000000, 0.0054196000000000, 0.0075079900000000 ] - [ 0.0000315600000000, 0.0007084200000000, 0.0014423300000000 ] - [ 0.0002364200000000, -0.0006910300000000, -0.0022513700000000 ] - [ 0.0012198800000000, 0.0006308000000000, -0.0005925200000000 ] - [ -0.0004100600000000, -0.0002019700000000, 0.0001340300000000 ] - [ -0.0002878000000000, 0.0007097700000000, -0.0000946300000000 ] - [ 0.0001232800000000, -0.0003903600000000, 0.0001769900000000 ] - [ 0.0002444200000000, -0.0000732300000000, -0.0000483300000000 ] - [ 0.0002209400000000, -0.0003845000000000, -0.0004115300000000 ] - [ 0.0002954900000000, -0.0001360500000000, 0.0000598800000000 ] - [ 0.0001816700000000, 0.0000073300000000, -0.0006664100000000 ] - [ -0.0002712500000000, 0.0006028300000000, 0.0004239400000000 ] - [ -0.0000748900000000, 0.0001487000000000, -0.0001002800000000 ] - [ 0.0001498200000000, -0.0000061600000000, -0.0003082700000000 ] - [ -0.0001303400000000, -0.0000755900000000, 0.0001115300000000 ] - [ -0.0002397800000000, 0.0001979900000000, 0.0003939400000000 ] - [ -0.0001563700000000, 0.0001445500000000, 0.0001194000000000 ] - [ -0.0007081000000000, -0.0005526600000000, -0.0003600300000000 ] - [ 0.0003088400000000, -0.0001184500000000, 0.0003117800000000 ] - [ 0.0005636200000000, -0.0003836600000000, 0.0002189500000000 ] - [ -0.0010317300000000, 0.0004758700000000, -0.0001374200000000 ] - [ -0.0000009700000000, -0.0002552900000000, -0.0000656100000000 ] - [ -0.0000111400000000, 0.0000710500000000, 0.0001237900000000 ] - [ -0.0002658100000000, -0.0000323100000000, 0.0002355100000000 ] - [ -0.0000149000000000, -0.0004212400000000, 0.0002918400000000 ] - [ 0.0007243000000000, -0.0003781600000000, 0.0000001800000000 ]- atom: 84 displacement: [ 0.0035230240541542, 0.0000000000000000, -0.0093588621911988 ] forces: - [ 0.0001357600000000, -0.0001068600000000, 0.0000168100000000 ] - [ -0.0005379100000000, 0.0002012300000000, 0.0003919200000000 ] - [ 0.0003805800000000, -0.0001043000000000, 0.0000769600000000 ] - [ 0.0000782100000000, -0.0003592000000000, 0.0001477500000000 ] - [ -0.0000959500000000, -0.0003323600000000, 0.0000447500000000 ] - [ -0.0013833400000000, -0.0026831100000000, 0.0007916900000000 ] - [ -0.0001981600000000, -0.0004119300000000, 0.0010393200000000 ] - [ 0.0003851800000000, 0.0002146000000000, -0.0000116400000000 ] - [ 0.0000239300000000, -0.0000415900000000, -0.0000333000000000 ] - [ -0.0013170800000000, 0.0005124000000000, 0.0010270200000000 ] - [ 0.0000115500000000, 0.0003021800000000, 0.0001585300000000 ] - [ 0.0001232700000000, -0.0001175100000000, -0.0000075200000000 ] - [ 0.0003798100000000, -0.0001757100000000, 0.0001374900000000 ] - [ 0.0000011000000000, 0.0000416300000000, -0.0001033100000000 ] - [ 0.0010249700000000, 0.0002624100000000, 0.0013869900000000 ] - [ -0.0003732300000000, -0.0001393900000000, 0.0003001400000000 ] - [ 0.0004777500000000, -0.0003933400000000, -0.0021641200000000 ] - [ -0.0006157600000000, 0.0000373800000000, 0.0002183300000000 ] - [ 0.0003563300000000, 0.0005666900000000, -0.0007779900000000 ] - [ 0.0000618500000000, 0.0002562400000000, 0.0000890100000000 ] - [ 0.0001072200000000, -0.0000341300000000, -0.0003708800000000 ] - [ 0.0000364100000000, 0.0005928300000000, -0.0006281900000000 ] - [ -0.0001512600000000, -0.0003274800000000, -0.0001477400000000 ] - [ 0.0000701300000000, 0.0000949100000000, 0.0001428800000000 ] - [ -0.0002774700000000, -0.0001767200000000, 0.0001896200000000 ] - [ 0.0004021000000000, -0.0005502300000000, -0.0001361800000000 ] - [ -0.0006577200000000, -0.0010481700000000, 0.0000896300000000 ] - [ 0.0100234400000000, -0.0015354600000000, -0.0109324300000000 ] - [ 0.0002211000000000, 0.0001829900000000, 0.0004183500000000 ] - [ -0.0000151000000000, 0.0003750400000000, -0.0007219600000000 ] - [ -0.0050986500000000, -0.0037740700000000, -0.0014067000000000 ] - [ 0.0065504800000000, -0.0006882800000000, -0.0096117800000000 ] - [ -0.0000258400000000, 0.0001902500000000, 0.0007650300000000 ] - [ -0.0004435300000000, 0.0000600300000000, 0.0015381200000000 ] - [ -0.0001431800000000, -0.0001241400000000, 0.0003102000000000 ] - [ 0.0001921500000000, -0.0000891200000000, -0.0002110700000000 ] - [ 0.0006210500000000, 0.0006200400000000, 0.0006873000000000 ] - [ 0.0005456000000000, -0.0035965000000000, 0.0013159000000000 ] - [ -0.0021749000000000, -0.0010798500000000, -0.0014453400000000 ] - [ -0.0016161500000000, 0.0010603400000000, -0.0003595500000000 ] - [ 0.0000429900000000, 0.0000517700000000, -0.0002993300000000 ] - [ 0.0003335300000000, 0.0001836800000000, 0.0006647000000000 ] - [ -0.0000388200000000, -0.0001692500000000, 0.0018197300000000 ] - [ -0.0001343900000000, 0.0011928800000000, 0.0008979200000000 ] - [ 0.0006433000000000, 0.0011943200000000, -0.0009343400000000 ] - [ -0.0002735800000000, -0.0002436800000000, 0.0005984000000000 ] - [ -0.0000057500000000, 0.0002108300000000, 0.0004689900000000 ] - [ 0.0000220700000000, -0.0002249900000000, 0.0016826000000000 ] - [ -0.0001329300000000, -0.0002947600000000, -0.0000119800000000 ] - [ -0.0004837500000000, -0.0002610400000000, 0.0000277000000000 ] - [ 0.0000945600000000, -0.0000602000000000, -0.0003522900000000 ] - [ 0.0002180100000000, -0.0000314800000000, 0.0003291700000000 ] - [ 0.0002031500000000, -0.0004298000000000, -0.0006309300000000 ] - [ 0.0005132700000000, 0.0021817400000000, -0.0012002800000000 ] - [ -0.0001672300000000, -0.0002772600000000, 0.0003243600000000 ] - [ -0.0002253900000000, -0.0001256700000000, -0.0001979200000000 ] - [ 0.0002659100000000, 0.0003458500000000, 0.0000277000000000 ] - [ -0.0001544500000000, -0.0004483200000000, 0.0001317500000000 ] - [ -0.0004891100000000, 0.0008591800000000, -0.0002630400000000 ] - [ 0.0000447100000000, -0.0002669600000000, 0.0000920700000000 ] - [ -0.0003758300000000, 0.0002238200000000, -0.0001244300000000 ] - [ -0.0006023000000000, -0.0001337500000000, -0.0001406200000000 ] - [ -0.0000091600000000, 0.0004085400000000, 0.0001227200000000 ] - [ -0.0003852600000000, -0.0000350100000000, 0.0003340400000000 ] - [ 0.0000603100000000, 0.0000658800000000, -0.0004585800000000 ] - [ 0.0002544500000000, -0.0003693000000000, -0.0000595500000000 ] - [ -0.0004319000000000, 0.0001657300000000, 0.0003219700000000 ] - [ 0.0003641600000000, 0.0005593100000000, -0.0002989000000000 ] - [ -0.0006265000000000, 0.0041439600000000, 0.0046542200000000 ] - [ 0.0000433500000000, -0.0000964500000000, 0.0000517700000000 ] - [ -0.0003291200000000, -0.0003243000000000, 0.0024850400000000 ] - [ 0.0592136200000000, 0.0335499200000000, -0.0569849600000000 ] - [ 0.0007702900000000, 0.0008725600000000, 0.0021061100000000 ] - [ -0.0005093800000000, 0.0000690600000000, 0.0014013700000000 ] - [ 0.0003151900000000, -0.0001093400000000, -0.0003595900000000 ] - [ -0.0000514800000000, -0.0005538100000000, 0.0009062600000000 ] - [ 0.0002171100000000, -0.0001344600000000, 0.0000123700000000 ] - [ -0.0030742900000000, 0.0003272100000000, 0.0001694700000000 ] - [ 0.0001641000000000, -0.0002601100000000, 0.0001306000000000 ] - [ -0.0002578800000000, 0.0001678700000000, -0.0000441500000000 ] - [ 0.0313466500000000, 0.0119159800000000, 0.0146577700000000 ] - [ -0.0002072900000000, -0.0001360500000000, 0.0009063700000000 ] - [ -0.0003460400000000, 0.0001928500000000, -0.0000086700000000 ] - [ -0.1029754500000000, -0.0470798300000000, 0.0471260800000000 ] - [ 0.0000856400000000, 0.0000616200000000, 0.0004456600000000 ] - [ 0.0002408300000000, 0.0000672800000000, -0.0000031000000000 ] - [ 0.0004887300000000, 0.0004411100000000, -0.0005453500000000 ] - [ -0.0000214400000000, -0.0004727800000000, -0.0001137300000000 ] - [ 0.0000439700000000, -0.0000824600000000, -0.0010294900000000 ] - [ 0.0003881000000000, -0.0003131800000000, -0.0004496600000000 ] - [ 0.0006758300000000, -0.0027268200000000, -0.0006664800000000 ] - [ 0.0049606400000000, 0.0005212300000000, 0.0010436300000000 ] - [ -0.0003246000000000, 0.0002154400000000, 0.0004040200000000 ] - [ 0.0002666800000000, 0.0001616000000000, 0.0001457400000000 ] - [ -0.0001516400000000, -0.0000274700000000, 0.0005682600000000 ] - [ 0.0009216200000000, -0.0013214400000000, -0.0001056700000000 ] - [ 0.0001963300000000, 0.0003854900000000, 0.0001753300000000 ] - [ -0.0006412900000000, -0.0049264000000000, -0.0005136600000000 ] - [ -0.0030098400000000, 0.0033771000000000, -0.0001970500000000 ] - [ 0.0000558900000000, 0.0010875200000000, 0.0006085100000000 ] - [ 0.0001307900000000, -0.0000666000000000, -0.0006392800000000 ] - [ 0.0001028700000000, 0.0002147500000000, -0.0002327300000000 ] - [ 0.0002148000000000, 0.0002778500000000, 0.0002654700000000 ] - [ 0.0000823500000000, -0.0000832100000000, 0.0002434800000000 ] - [ 0.0001655400000000, -0.0005876700000000, -0.0002363300000000 ] - [ 0.0000393500000000, -0.0002883100000000, 0.0000665200000000 ] - [ -0.0006604400000000, -0.0000658500000000, -0.0015101000000000 ] - [ 0.0004796500000000, 0.0001760200000000, -0.0008568600000000 ] - [ -0.0000605100000000, -0.0002019600000000, -0.0003296500000000 ] - [ 0.0000065600000000, 0.0003390800000000, -0.0002358000000000 ] - [ -0.0022669500000000, 0.0017396400000000, 0.0018902100000000 ] - [ 0.0019603200000000, -0.0023234000000000, -0.0008919900000000 ] - [ 0.0002187900000000, 0.0004077600000000, -0.0004988600000000 ] - [ 0.0000465000000000, 0.0001621200000000, 0.0002083600000000 ] - [ -0.0001395000000000, -0.0003096600000000, 0.0004508900000000 ] - [ 0.0009908300000000, 0.0002446200000000, 0.0001335700000000 ] - [ -0.0004831600000000, -0.0009390300000000, -0.0003163200000000 ] - [ 0.0001532200000000, -0.0001241300000000, -0.0000123400000000 ] - [ 0.0001644300000000, -0.0003124900000000, -0.0006473300000000 ] - [ 0.0000757800000000, -0.0001872800000000, 0.0003417700000000 ] - [ -0.0001340000000000, 0.0004026000000000, 0.0000256300000000 ] - [ -0.0003320000000000, -0.0002098300000000, -0.0001338100000000 ] - [ 0.0030029300000000, -0.0005656300000000, -0.0003302200000000 ] - [ 0.0035177000000000, -0.0000555000000000, 0.0003582900000000 ] - [ 0.0000129400000000, -0.0003023500000000, -0.0003212000000000 ] - [ -0.0002038600000000, -0.0001950400000000, -0.0002291200000000 ] - [ -0.0038835600000000, 0.0147948600000000, 0.0151530200000000 ] - [ 0.0001477000000000, -0.0001138800000000, 0.0000130700000000 ] - [ -0.0012444100000000, 0.0017581200000000, 0.0020875000000000 ] - [ 0.0010762700000000, 0.0012665200000000, 0.0001252400000000 ] - [ 0.0004653900000000, 0.0004231500000000, -0.0007639800000000 ] - [ -0.0004214300000000, -0.0002831100000000, 0.0001545400000000 ] - [ -0.0001305000000000, -0.0001943800000000, -0.0001005500000000 ] - [ 0.0001195300000000, 0.0003382000000000, -0.0005770900000000 ] - [ 0.0000389500000000, -0.0007219300000000, 0.0003349600000000 ] - [ 0.0000201300000000, 0.0005574000000000, -0.0001211600000000 ] - [ 0.0007537400000000, -0.0000687500000000, -0.0004733200000000 ] - [ 0.0002167300000000, 0.0000079000000000, -0.0002939000000000 ] - [ -0.0001004100000000, 0.0005128900000000, -0.0005006500000000 ] - [ -0.0004749500000000, -0.0002045400000000, -0.0002022700000000 ] - [ -0.0003097200000000, -0.0005481200000000, -0.0001835900000000 ] - [ -0.0004744400000000, -0.0003555900000000, -0.0001555100000000 ] - [ 0.0002337000000000, 0.0000445400000000, -0.0007901700000000 ] - [ -0.0002483900000000, 0.0003792200000000, 0.0002388900000000 ] - [ -0.0001614600000000, 0.0006058100000000, 0.0001398000000000 ] - [ 0.0003303900000000, 0.0009848300000000, -0.0009764900000000 ] - [ -0.0001871300000000, -0.0001299400000000, 0.0003793600000000 ] - [ -0.0006831400000000, -0.0003109200000000, -0.0000393300000000 ] - [ -0.0002656500000000, -0.0003997800000000, -0.0000726800000000 ] - [ -0.0003695600000000, -0.0011699000000000, -0.0023950200000000 ] - [ 0.0029638600000000, -0.0056215900000000, -0.0080198700000000 ] - [ 0.0001970900000000, -0.0005672800000000, -0.0018618400000000 ] - [ 0.0002464300000000, 0.0001779600000000, 0.0014268200000000 ] - [ -0.0008393400000000, 0.0002403800000000, 0.0006557300000000 ] - [ -0.0000760400000000, 0.0000973100000000, 0.0001194200000000 ] - [ 0.0000141800000000, -0.0004866300000000, 0.0004243600000000 ] - [ 0.0001461300000000, -0.0003859400000000, 0.0000656700000000 ] - [ 0.0002438700000000, 0.0000030500000000, 0.0002678500000000 ] - [ 0.0001105900000000, -0.0001548000000000, -0.0001717200000000 ] - [ -0.0000182900000000, -0.0001013800000000, -0.0003914100000000 ] - [ -0.0000514000000000, -0.0000258000000000, -0.0001617600000000 ] - [ 0.0001215100000000, 0.0005726800000000, -0.0000863800000000 ] - [ -0.0001428600000000, 0.0001852300000000, -0.0000164800000000 ] - [ 0.0002426200000000, 0.0000731500000000, -0.0001082300000000 ] - [ -0.0003566400000000, 0.0001804900000000, 0.0001393700000000 ] - [ 0.0000064600000000, -0.0000621100000000, 0.0000329800000000 ] - [ 0.0000252800000000, -0.0001272100000000, 0.0007159200000000 ] - [ 0.0009909000000000, 0.0007922100000000, 0.0000302900000000 ] - [ -0.0000899100000000, -0.0002151000000000, -0.0001953900000000 ] - [ 0.0003992500000000, -0.0002009100000000, -0.0003520800000000 ] - [ 0.0000772800000000, 0.0001043900000000, 0.0002712000000000 ] - [ 0.0005566600000000, 0.0000859000000000, -0.0004065800000000 ] - [ -0.0003130900000000, 0.0000673800000000, -0.0004561700000000 ] - [ -0.0003069800000000, -0.0000007800000000, -0.0008106000000000 ] - [ 0.0004019000000000, -0.0004428400000000, -0.0002331100000000 ] - [ -0.0001858400000000, 0.0005464900000000, -0.0004836400000000 ]- atom: 85 displacement: [ 0.0099999639143206, 0.0000000000000000, -0.0000268647033593 ] forces: - [ 0.0004223100000000, 0.0008647000000000, 0.0005111700000000 ] - [ -0.0000412100000000, 0.0001876900000000, 0.0000177400000000 ] - [ 0.0001378700000000, 0.0003763700000000, 0.0003762000000000 ] - [ -0.0009361500000000, -0.0001524700000000, -0.0000653800000000 ] - [ -0.0000223300000000, -0.0003810100000000, -0.0001626000000000 ] - [ -0.0000034800000000, -0.0004326700000000, -0.0002072100000000 ] - [ -0.0001054600000000, 0.0000404300000000, -0.0000915000000000 ] - [ 0.0030819800000000, 0.0002257900000000, 0.0000475700000000 ] - [ 0.0007787500000000, 0.0000821600000000, -0.0002785000000000 ] - [ -0.0000994700000000, 0.0000750200000000, -0.0000628500000000 ] - [ -0.0005592000000000, -0.0000099600000000, -0.0005988900000000 ] - [ 0.0002442000000000, 0.0009132200000000, -0.0004999100000000 ] - [ 0.0003986600000000, -0.0002914800000000, 0.0002517800000000 ] - [ -0.0009707100000000, -0.0008563300000000, 0.0013345600000000 ] - [ -0.0000716100000000, -0.0001300500000000, 0.0000705300000000 ] - [ -0.0003597000000000, -0.0000404900000000, 0.0000353200000000 ] - [ 0.0000581500000000, -0.0005706400000000, 0.0000697600000000 ] - [ -0.0005245400000000, -0.0000792700000000, -0.0002617600000000 ] - [ -0.0004963700000000, 0.0001832300000000, -0.0001085000000000 ] - [ -0.0003363500000000, 0.0003367000000000, 0.0002690100000000 ] - [ 0.0003935700000000, -0.0001065200000000, -0.0001348900000000 ] - [ -0.0001202100000000, 0.0004271600000000, -0.0000295300000000 ] - [ -0.0016147500000000, -0.0003325200000000, -0.0001976000000000 ] - [ 0.0009859100000000, 0.0001213900000000, 0.0005609000000000 ] - [ 0.0069902800000000, -0.0056597400000000, -0.0012246500000000 ] - [ -0.0027405800000000, 0.0010769500000000, -0.0001189900000000 ] - [ 0.0105168600000000, 0.0002574400000000, 0.0008829400000000 ] - [ -0.0021131100000000, -0.0004308000000000, -0.0005773300000000 ] - [ -0.0000552100000000, 0.0000943800000000, -0.0000444000000000 ] - [ -0.0145797400000000, 0.0027778800000000, -0.0039726000000000 ] - [ -0.0002096300000000, -0.0001139900000000, 0.0003701200000000 ] - [ 0.0001943200000000, 0.0000032300000000, -0.0000122000000000 ] - [ -0.0000888300000000, 0.0004955500000000, 0.0003810200000000 ] - [ -0.0002599600000000, -0.0000089400000000, -0.0004631900000000 ] - [ 0.0000922100000000, -0.0000882100000000, 0.0003938700000000 ] - [ 0.0000064400000000, -0.0000353500000000, -0.0005024200000000 ] - [ 0.0003736600000000, -0.0006177600000000, 0.0008949400000000 ] - [ -0.0000412800000000, -0.0004040800000000, -0.0003944900000000 ] - [ 0.0020918800000000, 0.0007291000000000, -0.0003195900000000 ] - [ 0.0006092600000000, -0.0006280500000000, -0.0000153200000000 ] - [ 0.0212132000000000, -0.0040945800000000, -0.0043886800000000 ] - [ 0.0000404300000000, 0.0004789000000000, 0.0024349200000000 ] - [ 0.0001789800000000, -0.0003107700000000, 0.0003633700000000 ] - [ -0.0000332000000000, 0.0000713700000000, 0.0001536800000000 ] - [ -0.0043410600000000, -0.0014045600000000, 0.0014857600000000 ] - [ 0.0006610400000000, -0.0011854300000000, -0.0018543200000000 ] - [ 0.0001337800000000, 0.0006046700000000, -0.0016546500000000 ] - [ -0.0001705500000000, -0.0003320400000000, 0.0004087400000000 ] - [ -0.0001902000000000, -0.0001531800000000, 0.0000943800000000 ] - [ -0.0001849100000000, -0.0009385600000000, 0.0001024400000000 ] - [ -0.0026517800000000, -0.0016212100000000, 0.0018810400000000 ] - [ 0.0003942900000000, -0.0002571900000000, -0.0000701000000000 ] - [ 0.0007514000000000, -0.0056475500000000, -0.0025618000000000 ] - [ 0.0002983600000000, 0.0004104000000000, -0.0000317000000000 ] - [ 0.0001071400000000, -0.0004856600000000, 0.0000075600000000 ] - [ 0.0010868400000000, -0.0005015400000000, 0.0003917900000000 ] - [ 0.0000116300000000, 0.0001785700000000, -0.0000976200000000 ] - [ 0.0002101100000000, -0.0004180000000000, -0.0000693700000000 ] - [ -0.0041438300000000, 0.0011433100000000, -0.0002170500000000 ] - [ -0.0053112600000000, 0.0011676700000000, 0.0006625500000000 ] - [ -0.0024030100000000, 0.0011526800000000, -0.0020722300000000 ] - [ 0.0000279700000000, -0.0000091900000000, 0.0003839900000000 ] - [ 0.0000756400000000, 0.0005216700000000, 0.0000018500000000 ] - [ 0.0000702600000000, -0.0003000300000000, 0.0002336700000000 ] - [ -0.0004247300000000, -0.0001130800000000, -0.0006000300000000 ] - [ -0.0007001600000000, -0.0014238700000000, -0.0045833000000000 ] - [ 0.0000114800000000, 0.0002073200000000, 0.0004484100000000 ] - [ -0.0003983000000000, -0.0022773800000000, 0.0031500100000000 ] - [ -0.0000276500000000, 0.0002677100000000, 0.0001858500000000 ] - [ 0.0000863700000000, 0.0001865900000000, 0.0000222300000000 ] - [ -0.0008360300000000, -0.0003891600000000, 0.0003805500000000 ] - [ -0.0000148100000000, 0.0000862800000000, 0.0000430600000000 ] - [ -0.0006415100000000, -0.0007774100000000, 0.0003122600000000 ] - [ -0.0002635600000000, 0.0000202100000000, 0.0002342900000000 ] - [ 0.0005328900000000, -0.0004008900000000, -0.0011192500000000 ] - [ -0.0001280500000000, -0.0001905300000000, 0.0001038900000000 ] - [ -0.0000433400000000, -0.0002564100000000, -0.0000849800000000 ] - [ 0.0002038400000000, -0.0003891400000000, -0.0001321000000000 ] - [ -0.0002071300000000, -0.0000991700000000, 0.0000715900000000 ] - [ 0.0728026800000000, 0.0529316800000000, 0.0018017200000000 ] - [ 0.0004825800000000, 0.0004675500000000, 0.0000549600000000 ] - [ -0.0004131900000000, -0.0000267700000000, 0.0008621200000000 ] - [ -0.0003024400000000, -0.0001595400000000, 0.0001836000000000 ] - [ 0.0000061000000000, 0.0006243600000000, -0.0001146200000000 ] - [ -0.1251556600000000, -0.0639282800000000, 0.0078371500000000 ] - [ 0.0002199100000000, 0.0001189600000000, 0.0004736900000000 ] - [ 0.0002827200000000, -0.0000179000000000, -0.0000825500000000 ] - [ -0.0009697700000000, 0.0001466400000000, -0.0002246200000000 ] - [ -0.0001789200000000, 0.0000059700000000, 0.0002577100000000 ] - [ 0.0003219700000000, -0.0002570200000000, 0.0000533900000000 ] - [ 0.0006917900000000, 0.0003928700000000, 0.0002803800000000 ] - [ -0.0004532100000000, 0.0006104900000000, 0.0001728100000000 ] - [ 0.0001684200000000, 0.0003976300000000, 0.0003359400000000 ] - [ 0.0009357000000000, 0.0000838000000000, 0.0034793500000000 ] - [ 0.0049769000000000, 0.0080388600000000, -0.0028586800000000 ] - [ 0.0014896000000000, -0.0027284800000000, -0.0001681500000000 ] - [ -0.0154570300000000, -0.0212840400000000, -0.0016089700000000 ] - [ -0.0000965800000000, -0.0005761600000000, -0.0000743300000000 ] - [ 0.0001974200000000, 0.0002064700000000, 0.0000568800000000 ] - [ -0.0027633200000000, 0.0022928600000000, 0.0011011100000000 ] - [ 0.0004430000000000, -0.0000144300000000, 0.0013550800000000 ] - [ -0.0005963600000000, -0.0002233500000000, -0.0006651700000000 ] - [ 0.0006331900000000, -0.0001618000000000, 0.0001524100000000 ] - [ 0.0008976600000000, 0.0012043700000000, 0.0004628200000000 ] - [ -0.0000292400000000, -0.0007210000000000, -0.0001319800000000 ] - [ 0.0021970900000000, -0.0008744900000000, 0.0002583800000000 ] - [ 0.0001521100000000, 0.0000750100000000, 0.0000040400000000 ] - [ 0.0001559500000000, 0.0003137800000000, -0.0003176600000000 ] - [ -0.0002112000000000, 0.0001662900000000, -0.0000529900000000 ] - [ -0.0002074800000000, 0.0001922000000000, 0.0000593000000000 ] - [ -0.0001992600000000, -0.0001683500000000, 0.0003015100000000 ] - [ 0.0001312100000000, 0.0000813600000000, 0.0000326700000000 ] - [ 0.0003193700000000, 0.0001901700000000, -0.0003691000000000 ] - [ 0.0000570100000000, -0.0000356100000000, 0.0002680700000000 ] - [ 0.0018108100000000, -0.0010640400000000, 0.0039102600000000 ] - [ 0.0002291000000000, 0.0002347000000000, -0.0001943400000000 ] - [ 0.0005867600000000, 0.0006128500000000, -0.0002092100000000 ] - [ 0.0000995800000000, -0.0001269800000000, 0.0001608900000000 ] - [ -0.0001811900000000, -0.0001788600000000, -0.0001441100000000 ] - [ 0.0072735700000000, 0.0007995500000000, -0.0002482000000000 ] - [ 0.0201595600000000, 0.0446750700000000, 0.0019471800000000 ] - [ -0.0001556400000000, -0.0000638800000000, 0.0001844100000000 ] - [ -0.0002608800000000, 0.0001016900000000, -0.0001242000000000 ] - [ -0.0000116300000000, 0.0000956700000000, 0.0000689700000000 ] - [ -0.0002031300000000, -0.0003939300000000, -0.0000485600000000 ] - [ -0.0007373900000000, 0.0005597800000000, -0.0022067700000000 ] - [ 0.0000077900000000, 0.0000968000000000, -0.0003291500000000 ] - [ -0.0008094100000000, 0.0010621900000000, -0.0010061000000000 ] - [ 0.0023337300000000, 0.0025568000000000, 0.0007539100000000 ] - [ 0.0010750500000000, 0.0006371100000000, -0.0000167700000000 ] - [ -0.0001833600000000, 0.0000215000000000, 0.0000324200000000 ] - [ -0.0000177500000000, -0.0000972900000000, 0.0001943600000000 ] - [ -0.0000693800000000, -0.0004091000000000, 0.0001122800000000 ] - [ 0.0000976500000000, 0.0006580800000000, -0.0003593400000000 ] - [ -0.0020099400000000, 0.0001718800000000, -0.0001678800000000 ] - [ 0.0059934000000000, -0.0050567100000000, -0.0003995800000000 ] - [ 0.0004471300000000, -0.0000101400000000, 0.0000459600000000 ] - [ 0.0009720200000000, 0.0008368700000000, -0.0024976900000000 ] - [ 0.0001292100000000, 0.0006081900000000, -0.0001872500000000 ] - [ -0.0006203800000000, -0.0001929000000000, -0.0005738200000000 ] - [ -0.0001241000000000, -0.0004126600000000, 0.0001332800000000 ] - [ 0.0006089100000000, 0.0009380100000000, -0.0011909000000000 ] - [ -0.0001336600000000, 0.0004382100000000, -0.0001469900000000 ] - [ 0.0001434400000000, 0.0041174800000000, 0.0058471400000000 ] - [ 0.0001038200000000, 0.0004350900000000, 0.0001900000000000 ] - [ 0.0007948200000000, 0.0006115600000000, -0.0000777300000000 ] - [ -0.0002919800000000, -0.0000741400000000, -0.0061252100000000 ] - [ -0.0004353400000000, -0.0002270700000000, 0.0000437900000000 ] - [ -0.0002895400000000, -0.0004661800000000, -0.0001443000000000 ] - [ 0.0000945500000000, -0.0000043500000000, 0.0001325000000000 ] - [ 0.0000754800000000, 0.0000452900000000, -0.0001833000000000 ] - [ 0.0002812500000000, 0.0003188200000000, -0.0004364900000000 ] - [ 0.0003207400000000, -0.0002025300000000, -0.0004595700000000 ] - [ 0.0000033000000000, 0.0000108500000000, 0.0000888900000000 ] - [ 0.0021663300000000, -0.0021166900000000, -0.0049424600000000 ] - [ 0.0025149800000000, -0.0003133400000000, 0.0004677400000000 ] - [ 0.0001536900000000, -0.0004502700000000, -0.0001661900000000 ] - [ 0.0026058300000000, -0.0004032100000000, -0.0007143700000000 ] - [ 0.0026801900000000, -0.0003773200000000, 0.0048507100000000 ] - [ 0.0002610100000000, -0.0000632700000000, -0.0004740700000000 ] - [ 0.0005875600000000, -0.0002106300000000, -0.0000709700000000 ] - [ -0.0001023500000000, 0.0006579700000000, 0.0000833600000000 ] - [ 0.0045678800000000, -0.0000102900000000, 0.0001743200000000 ] - [ -0.0004414900000000, 0.0003375300000000, 0.0012131400000000 ] - [ -0.0006818100000000, 0.0001646600000000, 0.0003047200000000 ] - [ -0.0005112000000000, 0.0001764700000000, -0.0003393400000000 ] - [ -0.0000294100000000, 0.0000686400000000, 0.0003049900000000 ] - [ 0.0001120700000000, 0.0006695000000000, -0.0001889000000000 ] - [ 0.0001023200000000, -0.0000491400000000, 0.0000614000000000 ] - [ 0.0007086100000000, -0.0002673000000000, 0.0002621200000000 ] - [ 0.0047080700000000, -0.0070151100000000, 0.0012754500000000 ] - [ -0.0007374500000000, -0.0000764700000000, -0.0011705900000000 ] - [ -0.0001845400000000, 0.0001878500000000, -0.0003688000000000 ] - [ -0.0003029400000000, 0.0000311400000000, -0.0003249100000000 ] - [ -0.0001094300000000, -0.0005215000000000, 0.0003140000000000 ] - [ 0.0002893800000000, 0.0001345700000000, -0.0002402200000000 ]- atom: 85 displacement: [ -0.0099999639143206, 0.0000000000000000, 0.0000268647033593 ] forces: - [ -0.0002460300000000, -0.0010878800000000, -0.0003173200000000 ] - [ -0.0000896700000000, 0.0002550700000000, -0.0000726200000000 ] - [ 0.0004808100000000, -0.0003853200000000, -0.0005221000000000 ] - [ 0.0010316700000000, -0.0005171200000000, 0.0003467700000000 ] - [ -0.0000694800000000, -0.0002854100000000, -0.0001149600000000 ] - [ -0.0001888300000000, 0.0002162800000000, 0.0000229900000000 ] - [ -0.0000845200000000, 0.0001784400000000, -0.0000956000000000 ] - [ -0.0022297500000000, 0.0001099900000000, 0.0001723600000000 ] - [ -0.0007215800000000, -0.0001943800000000, 0.0001659800000000 ] - [ 0.0000403500000000, 0.0000359500000000, 0.0001798000000000 ] - [ 0.0006561600000000, 0.0006760300000000, 0.0008771200000000 ] - [ -0.0001306900000000, -0.0013588000000000, 0.0005496800000000 ] - [ 0.0004724000000000, -0.0000476100000000, -0.0000325000000000 ] - [ 0.0010394000000000, 0.0009681500000000, -0.0014555100000000 ] - [ 0.0000117100000000, 0.0000211300000000, 0.0000468600000000 ] - [ -0.0002556000000000, 0.0000311500000000, 0.0001088300000000 ] - [ -0.0001907400000000, 0.0001312600000000, -0.0001249900000000 ] - [ -0.0003442100000000, -0.0002593700000000, 0.0000402900000000 ] - [ -0.0003739400000000, 0.0001559300000000, -0.0001115900000000 ] - [ 0.0004700400000000, 0.0001043300000000, -0.0002187700000000 ] - [ 0.0002228500000000, 0.0001182900000000, -0.0000083700000000 ] - [ 0.0000309000000000, 0.0002398800000000, -0.0002473500000000 ] - [ 0.0010031800000000, 0.0003480300000000, 0.0003499400000000 ] - [ -0.0007964000000000, 0.0000964000000000, -0.0003853400000000 ] - [ -0.0064100500000000, 0.0054136000000000, 0.0021454400000000 ] - [ 0.0028408000000000, -0.0015826900000000, 0.0004045700000000 ] - [ -0.0109675900000000, -0.0012298700000000, -0.0001615400000000 ] - [ 0.0016123500000000, 0.0001149700000000, -0.0003234700000000 ] - [ -0.0000291800000000, 0.0003853100000000, -0.0002373900000000 ] - [ 0.0147502800000000, -0.0024881900000000, 0.0031089200000000 ] - [ 0.0000297000000000, 0.0004363900000000, 0.0004884800000000 ] - [ -0.0000835600000000, 0.0003740400000000, 0.0000901200000000 ] - [ -0.0003041700000000, 0.0005313900000000, 0.0002882800000000 ] - [ -0.0002498600000000, 0.0003357300000000, -0.0004419800000000 ] - [ -0.0002052800000000, -0.0002854900000000, -0.0004770100000000 ] - [ 0.0001750700000000, -0.0002865400000000, -0.0003516500000000 ] - [ -0.0000027100000000, 0.0008120200000000, -0.0010066300000000 ] - [ 0.0004297000000000, -0.0006225900000000, -0.0002724400000000 ] - [ -0.0021806800000000, -0.0012073500000000, 0.0000503300000000 ] - [ -0.0002334200000000, 0.0004521700000000, -0.0000882800000000 ] - [ -0.0232003700000000, 0.0050030300000000, 0.0048590500000000 ] - [ 0.0004698500000000, -0.0001571500000000, -0.0015387000000000 ] - [ -0.0000656300000000, -0.0000599000000000, -0.0002967300000000 ] - [ -0.0003446200000000, 0.0001161000000000, -0.0000549600000000 ] - [ 0.0039934200000000, 0.0012395000000000, -0.0014035800000000 ] - [ -0.0002831000000000, 0.0022184800000000, 0.0011842200000000 ] - [ -0.0000504700000000, -0.0001290600000000, 0.0019388100000000 ] - [ -0.0000122000000000, 0.0000152300000000, 0.0004476100000000 ] - [ -0.0001400300000000, -0.0003282300000000, -0.0001423800000000 ] - [ 0.0002548000000000, 0.0013207700000000, 0.0000613400000000 ] - [ 0.0031007100000000, 0.0017038900000000, -0.0025796900000000 ] - [ -0.0001022100000000, 0.0001138100000000, 0.0006145200000000 ] - [ -0.0003498900000000, 0.0063756700000000, 0.0023610300000000 ] - [ -0.0007306700000000, 0.0002695900000000, 0.0002619000000000 ] - [ 0.0002228800000000, 0.0000068500000000, 0.0000404200000000 ] - [ -0.0007998200000000, -0.0002656400000000, -0.0008593000000000 ] - [ 0.0000173200000000, 0.0004274300000000, -0.0001171200000000 ] - [ 0.0002040600000000, -0.0002544300000000, -0.0001603700000000 ] - [ 0.0040911600000000, -0.0007678200000000, 0.0000583200000000 ] - [ 0.0053347500000000, -0.0017948900000000, -0.0004530700000000 ] - [ 0.0021235200000000, -0.0010154000000000, 0.0015309900000000 ] - [ 0.0002666500000000, 0.0001535800000000, 0.0001592900000000 ] - [ -0.0001054000000000, 0.0000798000000000, 0.0002129700000000 ] - [ -0.0004817100000000, -0.0003724000000000, -0.0000067900000000 ] - [ 0.0001311200000000, -0.0000318100000000, 0.0000608700000000 ] - [ 0.0009376000000000, 0.0012023400000000, 0.0044699300000000 ] - [ -0.0002633700000000, 0.0000448000000000, -0.0003152200000000 ] - [ 0.0006915300000000, 0.0030677800000000, -0.0036370200000000 ] - [ -0.0002651500000000, 0.0005034000000000, 0.0002733700000000 ] - [ 0.0001677400000000, 0.0000727400000000, -0.0001643000000000 ] - [ 0.0004005500000000, 0.0003112100000000, 0.0003224900000000 ] - [ 0.0003461200000000, 0.0003956500000000, 0.0000048900000000 ] - [ 0.0003543600000000, 0.0000141500000000, 0.0001412000000000 ] - [ -0.0001723500000000, 0.0000575800000000, 0.0004647400000000 ] - [ -0.0000980800000000, 0.0003262600000000, 0.0004326500000000 ] - [ -0.0001275600000000, -0.0000695600000000, 0.0000346000000000 ] - [ -0.0000206400000000, -0.0001229300000000, -0.0000777800000000 ] - [ -0.0001762000000000, -0.0002123500000000, -0.0000818600000000 ] - [ 0.0002709300000000, -0.0002803800000000, 0.0000913200000000 ] - [ -0.0736631100000000, -0.0513531600000000, -0.0017693600000000 ] - [ 0.0000389100000000, 0.0003157600000000, 0.0000054700000000 ] - [ 0.0002812000000000, 0.0000095000000000, -0.0000085400000000 ] - [ -0.0002620700000000, -0.0000348500000000, 0.0002799900000000 ] - [ -0.0003008000000000, 0.0001239700000000, -0.0001288200000000 ] - [ 0.1274877700000000, 0.0619493300000000, -0.0078377500000000 ] - [ 0.0002455200000000, -0.0000467600000000, -0.0002897600000000 ] - [ 0.0001758100000000, -0.0000678600000000, -0.0001618900000000 ] - [ 0.0004296600000000, -0.0000679700000000, 0.0000226100000000 ] - [ -0.0002032500000000, -0.0000848000000000, 0.0001227500000000 ] - [ 0.0002018500000000, -0.0005297900000000, 0.0000072000000000 ] - [ -0.0004468000000000, -0.0002620500000000, 0.0000138700000000 ] - [ 0.0002030400000000, 0.0004579500000000, 0.0001763400000000 ] - [ -0.0006510200000000, 0.0001072500000000, 0.0005033700000000 ] - [ -0.0003578500000000, -0.0001225200000000, -0.0029036100000000 ] - [ -0.0051933800000000, -0.0093446100000000, 0.0032427200000000 ] - [ -0.0012669500000000, 0.0016201600000000, -0.0002016300000000 ] - [ 0.0159458700000000, 0.0217169000000000, 0.0017957300000000 ] - [ 0.0002525300000000, -0.0006205200000000, -0.0002599800000000 ] - [ -0.0005807600000000, -0.0001301100000000, 0.0003191500000000 ] - [ 0.0023860600000000, -0.0014337800000000, -0.0011682200000000 ] - [ -0.0003126900000000, 0.0000338600000000, -0.0022081000000000 ] - [ 0.0000074000000000, 0.0002796300000000, 0.0000743100000000 ] - [ -0.0000566500000000, 0.0001953800000000, 0.0004419800000000 ] - [ -0.0011407600000000, -0.0023114600000000, -0.0000952300000000 ] - [ 0.0002808200000000, -0.0003470800000000, -0.0002163100000000 ] - [ -0.0024781900000000, 0.0009925800000000, -0.0000475000000000 ] - [ -0.0006200100000000, -0.0000039800000000, -0.0001957100000000 ] - [ 0.0003259400000000, 0.0001886300000000, -0.0005223100000000 ] - [ 0.0004790800000000, -0.0002794000000000, -0.0001519200000000 ] - [ -0.0001232200000000, 0.0003632900000000, 0.0005375700000000 ] - [ -0.0001288800000000, -0.0003840500000000, 0.0002895500000000 ] - [ 0.0004170400000000, -0.0001663300000000, 0.0001743000000000 ] - [ 0.0000085100000000, 0.0003610500000000, -0.0002178700000000 ] - [ 0.0000223000000000, 0.0001143900000000, 0.0003953700000000 ] - [ -0.0023038100000000, 0.0005701400000000, -0.0030695700000000 ] - [ 0.0000326500000000, -0.0001244000000000, -0.0000088000000000 ] - [ -0.0000416300000000, -0.0005359800000000, 0.0004199800000000 ] - [ 0.0002181700000000, 0.0002290800000000, 0.0001734700000000 ] - [ -0.0001138500000000, -0.0005745300000000, -0.0000984900000000 ] - [ -0.0070385700000000, -0.0009188800000000, 0.0005855800000000 ] - [ -0.0205328100000000, -0.0433342300000000, -0.0019995000000000 ] - [ -0.0001343000000000, -0.0001584500000000, 0.0001499600000000 ] - [ -0.0000565000000000, -0.0002066500000000, -0.0002096800000000 ] - [ 0.0002125400000000, 0.0002304900000000, 0.0000507600000000 ] - [ -0.0002009400000000, -0.0004824100000000, -0.0000020200000000 ] - [ 0.0004950100000000, -0.0007029400000000, 0.0019313600000000 ] - [ -0.0000868600000000, -0.0001755100000000, -0.0003337000000000 ] - [ 0.0005587600000000, -0.0009341200000000, 0.0007230200000000 ] - [ -0.0013943700000000, -0.0024275600000000, -0.0006362300000000 ] - [ -0.0001409900000000, -0.0000696300000000, -0.0001113400000000 ] - [ -0.0002846500000000, -0.0000943400000000, -0.0002242300000000 ] - [ -0.0002431700000000, -0.0000142500000000, 0.0000083600000000 ] - [ -0.0001293500000000, 0.0000848800000000, -0.0002342900000000 ] - [ 0.0000521700000000, 0.0005294500000000, 0.0000280400000000 ] - [ 0.0010666800000000, -0.0000411800000000, 0.0000391300000000 ] - [ -0.0058046200000000, 0.0062237100000000, 0.0000469100000000 ] - [ 0.0005053600000000, -0.0001435300000000, 0.0000814800000000 ] - [ -0.0005935100000000, -0.0009139600000000, 0.0021207500000000 ] - [ 0.0000960300000000, 0.0004973500000000, -0.0001793000000000 ] - [ -0.0003314200000000, 0.0000412900000000, 0.0004513000000000 ] - [ -0.0001272600000000, -0.0006599000000000, 0.0002182500000000 ] - [ -0.0011568600000000, -0.0010266500000000, 0.0009969900000000 ] - [ 0.0000558900000000, -0.0003614600000000, -0.0005139600000000 ] - [ -0.0006767500000000, -0.0039486300000000, -0.0054178800000000 ] - [ -0.0003286100000000, 0.0006693600000000, 0.0001772600000000 ] - [ -0.0003343300000000, -0.0005272400000000, -0.0001690500000000 ] - [ 0.0000849600000000, -0.0000709500000000, 0.0066283400000000 ] - [ -0.0005025200000000, -0.0003395600000000, 0.0000840700000000 ] - [ -0.0002326600000000, -0.0003177700000000, 0.0000840900000000 ] - [ 0.0001542200000000, -0.0001334400000000, 0.0001603100000000 ] - [ 0.0001584200000000, -0.0001969400000000, -0.0002513000000000 ] - [ -0.0000496000000000, -0.0001726500000000, 0.0000086400000000 ] - [ 0.0001601600000000, -0.0003015600000000, -0.0003814900000000 ] - [ 0.0004120000000000, 0.0008693600000000, -0.0000392700000000 ] - [ -0.0026355000000000, 0.0020223400000000, 0.0051486200000000 ] - [ -0.0028190400000000, 0.0005294000000000, -0.0001358700000000 ] - [ 0.0001401500000000, -0.0003002900000000, 0.0004121800000000 ] - [ -0.0021502900000000, 0.0003340300000000, 0.0009005500000000 ] - [ -0.0023645600000000, -0.0001707200000000, -0.0055160000000000 ] - [ 0.0000309400000000, -0.0001596600000000, 0.0001420600000000 ] - [ -0.0004536000000000, 0.0001966800000000, -0.0007909100000000 ] - [ -0.0000474400000000, 0.0005312800000000, 0.0002535200000000 ] - [ -0.0047995600000000, 0.0003506900000000, -0.0002946400000000 ] - [ 0.0008221100000000, -0.0002686800000000, -0.0016135400000000 ] - [ 0.0002283400000000, -0.0000827700000000, -0.0000642300000000 ] - [ 0.0002778800000000, -0.0000266100000000, 0.0007820100000000 ] - [ -0.0001043400000000, -0.0000511600000000, 0.0005496600000000 ] - [ 0.0001734500000000, -0.0004510200000000, -0.0001457000000000 ] - [ 0.0000984200000000, -0.0002800500000000, 0.0000597700000000 ] - [ 0.0002297700000000, -0.0003001400000000, -0.0003899100000000 ] - [ -0.0056530200000000, 0.0075238400000000, -0.0011414600000000 ] - [ 0.0013149200000000, -0.0001083500000000, 0.0007415900000000 ] - [ -0.0001321900000000, -0.0000900200000000, 0.0000377100000000 ] - [ -0.0002745200000000, -0.0000609500000000, -0.0002654100000000 ] - [ 0.0005144200000000, -0.0003547000000000, -0.0002610500000000 ] - [ 0.0002786500000000, 0.0000615200000000, -0.0002216100000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0016455400000000, -0.0008447700000000, -0.0019238500000000 ] - [ -0.0001296600000000, -0.0007769600000000, -0.0000033500000000 ] - [ 0.0010614700000000, 0.0000709100000000, -0.0008899500000000 ] - [ -0.0000664300000000, 0.0005438200000000, 0.0004839000000000 ] - [ -0.0000735000000000, -0.0010380200000000, -0.0001102300000000 ] - [ -0.0006891300000000, -0.0013236900000000, -0.0002506600000000 ] - [ -0.0001102300000000, -0.0005324000000000, -0.0001825300000000 ] - [ 0.0004474500000000, 0.0028159300000000, 0.0008232400000000 ] - [ 0.0000477000000000, 0.0011417800000000, -0.0010818200000000 ] - [ 0.0000880700000000, -0.0006299900000000, 0.0002510500000000 ] - [ -0.0008106900000000, 0.0006134900000000, -0.0011200300000000 ] - [ 0.0021426600000000, -0.0009346200000000, 0.0020093200000000 ] - [ 0.0002964000000000, -0.0006419900000000, 0.0004945000000000 ] - [ -0.0013668400000000, 0.0001738900000000, 0.0020465500000000 ] - [ 0.0000217100000000, -0.0007601800000000, 0.0000284700000000 ] - [ -0.0004364400000000, -0.0004057900000000, -0.0001450500000000 ] - [ -0.0002980000000000, -0.0011211600000000, 0.0003470700000000 ] - [ -0.0003500900000000, 0.0001260000000000, -0.0001607000000000 ] - [ -0.0003704500000000, -0.0005109700000000, 0.0000819900000000 ] - [ 0.0000350500000000, 0.0009522400000000, -0.0002300500000000 ] - [ 0.0002788800000000, -0.0011335000000000, -0.0003484400000000 ] - [ 0.0005046300000000, -0.0006542300000000, -0.0002616800000000 ] - [ -0.0009365300000000, 0.0008696400000000, 0.0001923500000000 ] - [ 0.0000392600000000, 0.0019963200000000, 0.0002018700000000 ] - [ -0.0064986600000000, -0.0152871200000000, -0.0023940600000000 ] - [ -0.0009485100000000, -0.0005050600000000, -0.0000740200000000 ] - [ -0.0007933900000000, 0.0211122000000000, 0.0087279000000000 ] - [ -0.0000388200000000, -0.0021878000000000, -0.0000273800000000 ] - [ 0.0001008600000000, -0.0015345400000000, -0.0002720700000000 ] - [ -0.0011331400000000, 0.0131582300000000, -0.0005505600000000 ] - [ -0.0000900900000000, -0.0032005700000000, 0.0005584700000000 ] - [ -0.0001281800000000, -0.0028898900000000, -0.0001181400000000 ] - [ 0.0003827400000000, -0.0008706100000000, -0.0005902300000000 ] - [ -0.0004012100000000, -0.0016819100000000, -0.0005039100000000 ] - [ 0.0000987200000000, 0.0004191100000000, 0.0006775700000000 ] - [ 0.0001004600000000, 0.0000990700000000, -0.0008537700000000 ] - [ -0.0001088200000000, 0.0012306200000000, 0.0001935300000000 ] - [ 0.0003052200000000, -0.0026045200000000, -0.0010449100000000 ] - [ 0.0009439700000000, -0.0056993100000000, 0.0024733100000000 ] - [ 0.0001255500000000, -0.0043138200000000, 0.0010772700000000 ] - [ -0.0030602000000000, 0.0270070300000000, 0.0013553900000000 ] - [ 0.0003698000000000, 0.0021784400000000, -0.0003383300000000 ] - [ 0.0001770200000000, -0.0013321300000000, -0.0018175100000000 ] - [ 0.0001129200000000, -0.0013228900000000, 0.0010941500000000 ] - [ -0.0022558600000000, 0.0028914300000000, 0.0015612100000000 ] - [ -0.0025997300000000, 0.0005327100000000, -0.0037743300000000 ] - [ -0.0000351900000000, 0.0024325500000000, -0.0011995800000000 ] - [ -0.0001720400000000, -0.0006546400000000, 0.0004530800000000 ] - [ -0.0000246300000000, 0.0005532700000000, -0.0001122500000000 ] - [ -0.0007797600000000, -0.0028095800000000, 0.0000552100000000 ] - [ 0.0062116700000000, 0.0043433600000000, 0.0001639600000000 ] - [ 0.0004847200000000, -0.0002307300000000, 0.0017005200000000 ] - [ -0.0053876100000000, -0.0009107700000000, 0.0011103300000000 ] - [ 0.0026065300000000, -0.0027486400000000, 0.0006688600000000 ] - [ -0.0001627100000000, -0.0016359200000000, -0.0000704300000000 ] - [ 0.0015940600000000, -0.0003671500000000, 0.0028491800000000 ] - [ 0.0001332000000000, -0.0006285200000000, -0.0001755900000000 ] - [ 0.0002724000000000, -0.0012104400000000, 0.0000917700000000 ] - [ 0.0061597000000000, -0.0011602500000000, 0.0001734300000000 ] - [ -0.0000965000000000, 0.0023694600000000, 0.0002173600000000 ] - [ -0.0012577100000000, 0.0006364400000000, -0.0007809500000000 ] - [ -0.0006501100000000, -0.0007035300000000, 0.0008238200000000 ] - [ -0.0000586200000000, 0.0012427700000000, 0.0001534700000000 ] - [ 0.0001936500000000, 0.0004102600000000, -0.0002378000000000 ] - [ -0.0001907300000000, -0.0003020200000000, 0.0008158500000000 ] - [ -0.0044292300000000, 0.0084745800000000, -0.0000004500000000 ] - [ 0.0008974200000000, -0.0032263300000000, -0.0030623400000000 ] - [ 0.0007799700000000, 0.0030055200000000, -0.0020143800000000 ] - [ 0.0005991900000000, -0.0006962200000000, -0.0001828700000000 ] - [ -0.0000206600000000, 0.0000575300000000, -0.0010382800000000 ] - [ -0.0008914400000000, -0.0004379600000000, 0.0002017100000000 ] - [ 0.0003039500000000, -0.0015101400000000, 0.0001577300000000 ] - [ -0.0001451400000000, -0.0006949100000000, 0.0006682500000000 ] - [ 0.0003116600000000, -0.0006158900000000, -0.0001234300000000 ] - [ 0.0009228700000000, -0.0015262200000000, -0.0044008300000000 ] - [ -0.0006588400000000, -0.0014161300000000, 0.0002189500000000 ] - [ -0.0000253900000000, -0.0012860600000000, -0.0001140600000000 ] - [ -0.0000069100000000, -0.0029279200000000, -0.0000723100000000 ] - [ -0.0001406500000000, 0.0009826400000000, 0.0001077900000000 ] - [ 0.0590572400000000, 0.2414381300000000, 0.0123618000000000 ] - [ 0.0002445500000000, 0.0018000500000000, -0.0000323200000000 ] - [ -0.0000681800000000, 0.0008303800000000, -0.0012991900000000 ] - [ -0.0002162700000000, 0.0003554200000000, 0.0006226700000000 ] - [ -0.0001849500000000, 0.0020966700000000, -0.0002696800000000 ] - [ -0.0664106100000000, -0.3871950600000000, -0.0430400400000000 ] - [ 0.0007168600000000, 0.0001217900000000, 0.0023447200000000 ] - [ -0.0003510300000000, 0.0008742400000000, 0.0002823700000000 ] - [ -0.0012342900000000, 0.0011606500000000, -0.0013788800000000 ] - [ -0.0003398500000000, 0.0006408400000000, 0.0006440700000000 ] - [ 0.0003974400000000, 0.0005695600000000, 0.0000671300000000 ] - [ 0.0000740900000000, 0.0002126000000000, -0.0004263600000000 ] - [ 0.0001111300000000, 0.0031222900000000, 0.0000932400000000 ] - [ -0.0001152800000000, 0.0001353900000000, -0.0003380000000000 ] - [ 0.0017281100000000, -0.0027263100000000, 0.0018721400000000 ] - [ 0.0087844400000000, -0.0025546000000000, -0.0031180900000000 ] - [ -0.0021808900000000, 0.0016025300000000, -0.0004149200000000 ] - [ -0.0161372900000000, 0.0706939600000000, 0.0099080900000000 ] - [ -0.0006208800000000, 0.0025814900000000, -0.0006701800000000 ] - [ -0.0001141600000000, 0.0005239600000000, 0.0002713800000000 ] - [ 0.0034584500000000, 0.0049491700000000, -0.0022214400000000 ] - [ 0.0002985600000000, -0.0005491200000000, 0.0003234600000000 ] - [ -0.0019925300000000, 0.0068231200000000, 0.0005414100000000 ] - [ 0.0005103000000000, 0.0004347600000000, 0.0012477100000000 ] - [ 0.0033712500000000, 0.0022002000000000, 0.0002974300000000 ] - [ -0.0000008600000000, -0.0016963400000000, -0.0001911100000000 ] - [ 0.0010012400000000, -0.0015493400000000, 0.0001782600000000 ] - [ -0.0001204500000000, 0.0004030500000000, 0.0003871000000000 ] - [ -0.0001265700000000, 0.0005769500000000, -0.0010922000000000 ] - [ 0.0004860000000000, 0.0002054200000000, -0.0010772800000000 ] - [ -0.0009398300000000, 0.0027613400000000, 0.0027077900000000 ] - [ -0.0000052600000000, 0.0008807600000000, -0.0000292100000000 ] - [ -0.0003385900000000, 0.0012604800000000, -0.0003335400000000 ] - [ 0.0002738400000000, -0.0000579200000000, 0.0002203700000000 ] - [ 0.0000867500000000, -0.0004023100000000, 0.0004477200000000 ] - [ -0.0003562700000000, -0.0034120300000000, 0.0018441500000000 ] - [ 0.0010019900000000, 0.0013949800000000, -0.0005791800000000 ] - [ 0.0004119900000000, -0.0001086900000000, -0.0002836800000000 ] - [ 0.0001041900000000, -0.0004884800000000, 0.0000724900000000 ] - [ 0.0000861800000000, 0.0008809700000000, 0.0000675300000000 ] - [ -0.0010633600000000, -0.0037917500000000, 0.0004122500000000 ] - [ 0.0342274000000000, 0.0219048800000000, 0.0014123200000000 ] - [ -0.0002808800000000, 0.0006022700000000, 0.0001089000000000 ] - [ 0.0000563300000000, 0.0025273500000000, 0.0000321000000000 ] - [ -0.0001731400000000, 0.0026117300000000, -0.0000714600000000 ] - [ -0.0000531000000000, 0.0002988200000000, 0.0001081800000000 ] - [ 0.0000002300000000, -0.0014555500000000, 0.0005976700000000 ] - [ -0.0001496500000000, 0.0017371400000000, -0.0005463500000000 ] - [ -0.0003915500000000, 0.0026965400000000, -0.0037379300000000 ] - [ 0.0032538500000000, 0.0012895200000000, -0.0002261300000000 ] - [ 0.0015490000000000, 0.0021891300000000, 0.0001235800000000 ] - [ -0.0002547700000000, 0.0008123700000000, -0.0000216500000000 ] - [ 0.0000137300000000, 0.0004730100000000, -0.0005362400000000 ] - [ 0.0000613100000000, -0.0011955500000000, 0.0000066200000000 ] - [ -0.0000760200000000, 0.0001200400000000, 0.0001837000000000 ] - [ -0.0033776400000000, 0.0051353600000000, -0.0003234000000000 ] - [ -0.0008106900000000, -0.0012357600000000, -0.0000647300000000 ] - [ 0.0001932000000000, 0.0007486200000000, -0.0000498300000000 ] - [ -0.0011742100000000, -0.0021009500000000, 0.0011114200000000 ] - [ 0.0001335000000000, 0.0014711000000000, -0.0001735600000000 ] - [ -0.0009449800000000, -0.0009073600000000, 0.0002000900000000 ] - [ -0.0003572400000000, 0.0005210300000000, 0.0003229300000000 ] - [ -0.0009338100000000, -0.0019088000000000, -0.0002041500000000 ] - [ 0.0003886000000000, 0.0014380700000000, 0.0005441600000000 ] - [ 0.0085307700000000, -0.0025391800000000, 0.0081700700000000 ] - [ -0.0000214900000000, -0.0004593700000000, 0.0003894600000000 ] - [ 0.0012429800000000, 0.0005590800000000, -0.0000638300000000 ] - [ -0.0007706000000000, -0.0034010500000000, 0.0029431500000000 ] - [ -0.0003521500000000, 0.0004190200000000, 0.0002271200000000 ] - [ -0.0004509200000000, -0.0012397000000000, 0.0002117100000000 ] - [ -0.0001389600000000, 0.0007604700000000, 0.0000501300000000 ] - [ -0.0000132200000000, 0.0012081900000000, 0.0000769400000000 ] - [ 0.0001348200000000, 0.0005906700000000, -0.0002091400000000 ] - [ 0.0004616600000000, 0.0006451100000000, -0.0005093500000000 ] - [ -0.0010490200000000, 0.0014418300000000, 0.0003897400000000 ] - [ -0.0088288700000000, -0.0059953000000000, 0.0050808700000000 ] - [ -0.0028315800000000, -0.0020267100000000, -0.0003485100000000 ] - [ 0.0002604200000000, -0.0014881300000000, 0.0001869900000000 ] - [ -0.0008578300000000, -0.0030224300000000, -0.0026862500000000 ] - [ 0.0000726800000000, -0.0054319100000000, -0.0037091900000000 ] - [ 0.0000329600000000, -0.0007627900000000, -0.0000728800000000 ] - [ 0.0000622100000000, 0.0002538800000000, -0.0014043800000000 ] - [ -0.0000810200000000, 0.0012436600000000, -0.0002538400000000 ] - [ 0.0009790300000000, -0.0016559500000000, 0.0003140500000000 ] - [ 0.0002388200000000, 0.0019750700000000, 0.0054494800000000 ] - [ -0.0015096300000000, 0.0014841000000000, 0.0016232300000000 ] - [ -0.0002922900000000, -0.0005474200000000, -0.0018975300000000 ] - [ 0.0000391600000000, 0.0007461800000000, 0.0000031400000000 ] - [ 0.0005653900000000, 0.0028407900000000, -0.0003841000000000 ] - [ 0.0001240700000000, 0.0007531100000000, 0.0000446800000000 ] - [ 0.0010268000000000, -0.0009999000000000, 0.0004260200000000 ] - [ -0.0114013500000000, 0.0055570300000000, -0.0028466100000000 ] - [ 0.0023020200000000, 0.0030022500000000, 0.0061121200000000 ] - [ -0.0003133000000000, 0.0006420200000000, 0.0000607800000000 ] - [ -0.0001408900000000, 0.0008344100000000, -0.0000860500000000 ] - [ 0.0002322500000000, -0.0013948500000000, 0.0008362600000000 ] - [ 0.0005917700000000, 0.0012327900000000, 0.0000021900000000 ]- atom: 85 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0014451900000000, 0.0006395500000000, 0.0021021000000000 ] - [ 0.0000017400000000, 0.0012198100000000, -0.0000495500000000 ] - [ -0.0004488200000000, -0.0000831200000000, 0.0007528800000000 ] - [ 0.0001537500000000, -0.0012057300000000, -0.0002076600000000 ] - [ -0.0000189000000000, 0.0003731300000000, -0.0001705100000000 ] - [ 0.0005059800000000, 0.0011116100000000, 0.0000643000000000 ] - [ -0.0000791600000000, 0.0007464000000000, -0.0000038900000000 ] - [ 0.0004387100000000, -0.0025588700000000, -0.0005020600000000 ] - [ 0.0000148200000000, -0.0012357500000000, 0.0009752100000000 ] - [ -0.0001472300000000, 0.0007329800000000, -0.0001392600000000 ] - [ 0.0008998500000000, 0.0000570600000000, 0.0013982900000000 ] - [ -0.0020038600000000, 0.0005054700000000, -0.0019490600000000 ] - [ 0.0005700800000000, 0.0003077300000000, -0.0002756800000000 ] - [ 0.0014233900000000, -0.0000669200000000, -0.0021598700000000 ] - [ -0.0000801400000000, 0.0006563700000000, 0.0000856300000000 ] - [ -0.0001836500000000, 0.0003974000000000, 0.0002884100000000 ] - [ 0.0001716900000000, 0.0006787200000000, -0.0004045800000000 ] - [ -0.0005177900000000, -0.0004649800000000, -0.0000554300000000 ] - [ -0.0004966700000000, 0.0008477500000000, -0.0002993800000000 ] - [ 0.0000903700000000, -0.0005100200000000, 0.0002893500000000 ] - [ 0.0003405300000000, 0.0011425900000000, 0.0002028200000000 ] - [ -0.0006016400000000, 0.0013211000000000, -0.0000174400000000 ] - [ 0.0003126800000000, -0.0008676600000000, -0.0000515600000000 ] - [ 0.0001550300000000, -0.0017816500000000, -0.0000277300000000 ] - [ 0.0069506900000000, 0.0149213400000000, 0.0032992100000000 ] - [ 0.0010046700000000, 0.0000581800000000, 0.0003595100000000 ] - [ 0.0006901000000000, -0.0234670500000000, -0.0091401800000000 ] - [ -0.0004926900000000, 0.0018621600000000, -0.0008963000000000 ] - [ -0.0001710400000000, 0.0020085800000000, -0.0000147300000000 ] - [ 0.0013618300000000, -0.0128507700000000, -0.0003361400000000 ] - [ -0.0000996500000000, 0.0035158500000000, 0.0003119500000000 ] - [ 0.0002497800000000, 0.0032644800000000, 0.0002025000000000 ] - [ -0.0007530200000000, 0.0018997000000000, 0.0012514100000000 ] - [ -0.0001226400000000, 0.0020031400000000, -0.0004140000000000 ] - [ -0.0002154100000000, -0.0007857800000000, -0.0007610900000000 ] - [ 0.0000855600000000, -0.0004056200000000, -0.0000195600000000 ] - [ 0.0005056600000000, -0.0010649100000000, -0.0002681000000000 ] - [ 0.0000679100000000, 0.0015840000000000, 0.0003786700000000 ] - [ -0.0010249000000000, 0.0052453400000000, -0.0027950900000000 ] - [ 0.0002721700000000, 0.0041265900000000, -0.0011577200000000 ] - [ 0.0027359400000000, -0.0265948200000000, -0.0014012300000000 ] - [ 0.0001520200000000, -0.0018572100000000, 0.0012724600000000 ] - [ -0.0000608300000000, 0.0009581600000000, 0.0019226800000000 ] - [ -0.0005093900000000, 0.0015102200000000, -0.0010044500000000 ] - [ 0.0018400500000000, -0.0031021500000000, -0.0014730200000000 ] - [ 0.0029983500000000, 0.0004690000000000, 0.0031158200000000 ] - [ 0.0001058300000000, -0.0019598300000000, 0.0014890200000000 ] - [ -0.0000135400000000, 0.0003349400000000, 0.0004226900000000 ] - [ -0.0002929800000000, -0.0010232800000000, 0.0000586300000000 ] - [ 0.0008429200000000, 0.0032050100000000, 0.0001127800000000 ] - [ -0.0057733500000000, -0.0042763800000000, -0.0008572100000000 ] - [ -0.0001856800000000, 0.0000920700000000, -0.0011638300000000 ] - [ 0.0058632600000000, 0.0015123600000000, -0.0013854600000000 ] - [ -0.0030092800000000, 0.0034050800000000, -0.0004312800000000 ] - [ 0.0004812300000000, 0.0011607800000000, 0.0001246500000000 ] - [ -0.0012920700000000, -0.0004092800000000, -0.0032892700000000 ] - [ -0.0001018500000000, 0.0012386300000000, -0.0000400800000000 ] - [ 0.0001474400000000, 0.0005502600000000, -0.0003308300000000 ] - [ -0.0062474200000000, 0.0015535900000000, -0.0003407500000000 ] - [ 0.0000325700000000, -0.0029737400000000, 0.0000017700000000 ] - [ 0.0009753700000000, -0.0005118500000000, 0.0002512600000000 ] - [ 0.0009422100000000, 0.0008358900000000, -0.0002774500000000 ] - [ 0.0000259900000000, -0.0006232600000000, 0.0000627400000000 ] - [ -0.0006156100000000, -0.0010803600000000, 0.0004790900000000 ] - [ -0.0000991100000000, 0.0001727800000000, -0.0013640400000000 ] - [ 0.0046813300000000, -0.0087876700000000, -0.0001933300000000 ] - [ -0.0011595300000000, 0.0035150000000000, 0.0032308500000000 ] - [ -0.0004921100000000, -0.0022693500000000, 0.0016045700000000 ] - [ -0.0008989600000000, 0.0014781400000000, 0.0006409000000000 ] - [ 0.0002769100000000, 0.0002075500000000, 0.0008961900000000 ] - [ 0.0004396600000000, 0.0003670700000000, 0.0004930800000000 ] - [ 0.0000117600000000, 0.0019869700000000, -0.0001037700000000 ] - [ -0.0001605900000000, -0.0000912800000000, -0.0002112600000000 ] - [ -0.0007643800000000, 0.0006853000000000, 0.0008134400000000 ] - [ -0.0004709900000000, 0.0014539000000000, 0.0036937900000000 ] - [ 0.0004058200000000, 0.0011580700000000, -0.0000796000000000 ] - [ -0.0000450900000000, 0.0008913400000000, -0.0000546600000000 ] - [ 0.0000394900000000, 0.0023184500000000, -0.0001447000000000 ] - [ 0.0002120500000000, -0.0013848100000000, 0.0000609500000000 ] - [ -0.0529350900000000, -0.2242890600000000, -0.0112804500000000 ] - [ 0.0002306200000000, -0.0009966600000000, 0.0000982600000000 ] - [ -0.0000643400000000, -0.0008443100000000, 0.0021443800000000 ] - [ -0.0003391900000000, -0.0005304800000000, -0.0001490300000000 ] - [ -0.0000862000000000, -0.0013167600000000, 0.0000279900000000 ] - [ 0.0599172600000000, 0.3703798200000000, 0.0433861500000000 ] - [ -0.0002266000000000, -0.0000537300000000, -0.0021216100000000 ] - [ 0.0008410700000000, -0.0009824700000000, -0.0005344500000000 ] - [ 0.0006714800000000, -0.0010752100000000, 0.0011665900000000 ] - [ -0.0000523000000000, -0.0007095100000000, -0.0002300300000000 ] - [ 0.0000745100000000, -0.0013716400000000, -0.0000024900000000 ] - [ 0.0001568000000000, -0.0000681800000000, 0.0007083600000000 ] - [ -0.0003911800000000, -0.0020403000000000, 0.0002563400000000 ] - [ -0.0003667800000000, 0.0003731100000000, 0.0011713800000000 ] - [ -0.0011613300000000, 0.0027151000000000, -0.0012815700000000 ] - [ -0.0089633700000000, 0.0014474900000000, 0.0034858200000000 ] - [ 0.0024118300000000, -0.0027302800000000, 0.0000487000000000 ] - [ 0.0160024700000000, -0.0684743300000000, -0.0094588900000000 ] - [ 0.0007681500000000, -0.0037562800000000, 0.0003303400000000 ] - [ -0.0002765900000000, -0.0004537300000000, 0.0001420900000000 ] - [ -0.0039062800000000, -0.0041219900000000, 0.0021978400000000 ] - [ -0.0001696200000000, 0.0005685600000000, -0.0011673600000000 ] - [ 0.0014358800000000, -0.0068557100000000, -0.0011136100000000 ] - [ 0.0000595700000000, -0.0004132900000000, -0.0006772300000000 ] - [ -0.0035678100000000, -0.0033313000000000, 0.0000701300000000 ] - [ 0.0002761800000000, 0.0006070300000000, -0.0001564600000000 ] - [ -0.0012437600000000, 0.0016493200000000, 0.0000154700000000 ] - [ -0.0003638800000000, -0.0003308900000000, -0.0006045300000000 ] - [ 0.0006080000000000, -0.0000641100000000, 0.0002598500000000 ] - [ -0.0002539300000000, -0.0002863800000000, 0.0008831800000000 ] - [ 0.0006139200000000, -0.0022347200000000, -0.0021398500000000 ] - [ -0.0003284900000000, -0.0014240500000000, 0.0006184400000000 ] - [ 0.0009030700000000, -0.0013497200000000, 0.0005387300000000 ] - [ 0.0000578500000000, 0.0005928700000000, -0.0008049800000000 ] - [ -0.0000185300000000, 0.0005221100000000, 0.0002165700000000 ] - [ -0.0001559300000000, 0.0028985900000000, -0.0010252600000000 ] - [ -0.0007637800000000, -0.0013052500000000, 0.0003839700000000 ] - [ 0.0001564400000000, 0.0002074700000000, 0.0004891300000000 ] - [ 0.0002201600000000, 0.0006204400000000, 0.0002589100000000 ] - [ -0.0003580100000000, -0.0016591900000000, -0.0003121000000000 ] - [ 0.0014306800000000, 0.0036623000000000, -0.0000836700000000 ] - [ -0.0343928800000000, -0.0211040100000000, -0.0014681300000000 ] - [ 0.0000057100000000, -0.0008436700000000, 0.0002221900000000 ] - [ -0.0003821400000000, -0.0026701200000000, -0.0003643800000000 ] - [ 0.0003952000000000, -0.0022845600000000, 0.0001899000000000 ] - [ -0.0003343200000000, -0.0011663600000000, -0.0001676900000000 ] - [ -0.0002347600000000, 0.0013295500000000, -0.0009074900000000 ] - [ 0.0000800600000000, -0.0018605300000000, -0.0001158300000000 ] - [ 0.0001643300000000, -0.0025537000000000, 0.0034407900000000 ] - [ -0.0023133800000000, -0.0011228600000000, 0.0003575700000000 ] - [ -0.0005781100000000, -0.0016034300000000, -0.0002553200000000 ] - [ -0.0002316900000000, -0.0008834800000000, -0.0001923800000000 ] - [ -0.0002530300000000, -0.0005646600000000, 0.0007298200000000 ] - [ -0.0002777800000000, 0.0008596100000000, -0.0001227100000000 ] - [ 0.0002301900000000, 0.0010662100000000, -0.0005280600000000 ] - [ 0.0024271200000000, -0.0049704000000000, 0.0002012200000000 ] - [ 0.0011362300000000, 0.0022569400000000, -0.0002841200000000 ] - [ 0.0007517800000000, -0.0008941700000000, 0.0001722100000000 ] - [ 0.0015737000000000, 0.0020387400000000, -0.0015358500000000 ] - [ 0.0000858100000000, -0.0003433200000000, -0.0001948400000000 ] - [ 0.0000086500000000, 0.0007714400000000, -0.0003264300000000 ] - [ 0.0000811600000000, -0.0016071800000000, 0.0000229700000000 ] - [ 0.0003826800000000, 0.0018430700000000, -0.0000121700000000 ] - [ -0.0004604600000000, -0.0013131400000000, -0.0012122200000000 ] - [ -0.0091272100000000, 0.0027882100000000, -0.0077047900000000 ] - [ -0.0001974300000000, 0.0015876200000000, -0.0000227500000000 ] - [ -0.0007565000000000, -0.0004479600000000, -0.0001879800000000 ] - [ 0.0005618100000000, 0.0032592300000000, -0.0025976900000000 ] - [ -0.0006131000000000, -0.0010083900000000, -0.0000946700000000 ] - [ -0.0000215400000000, 0.0004326500000000, -0.0002785200000000 ] - [ 0.0003655900000000, -0.0008989100000000, 0.0002280600000000 ] - [ 0.0002439800000000, -0.0013405100000000, -0.0005024300000000 ] - [ 0.0000988300000000, -0.0004554300000000, -0.0002207900000000 ] - [ 0.0000228500000000, -0.0011559200000000, -0.0003246600000000 ] - [ 0.0014262400000000, -0.0005797600000000, -0.0003287700000000 ] - [ 0.0083715300000000, 0.0059647100000000, -0.0048362200000000 ] - [ 0.0025756400000000, 0.0022765700000000, 0.0006826900000000 ] - [ 0.0000085000000000, 0.0007048000000000, 0.0000538300000000 ] - [ 0.0013591500000000, 0.0029536700000000, 0.0029105400000000 ] - [ 0.0002945600000000, 0.0049030100000000, 0.0031871100000000 ] - [ 0.0002434100000000, 0.0005288500000000, -0.0002615600000000 ] - [ 0.0000686400000000, -0.0002767600000000, 0.0005769700000000 ] - [ -0.0000699000000000, -0.0000675800000000, 0.0005906100000000 ] - [ -0.0011771900000000, 0.0019808700000000, -0.0004291900000000 ] - [ 0.0001564200000000, -0.0019060200000000, -0.0058429400000000 ] - [ 0.0010196100000000, -0.0013773400000000, -0.0013673500000000 ] - [ 0.0000590000000000, 0.0006746400000000, 0.0023169600000000 ] - [ -0.0001693600000000, -0.0007276400000000, 0.0008241600000000 ] - [ -0.0002863200000000, -0.0026001400000000, 0.0000534100000000 ] - [ 0.0000962300000000, -0.0010837600000000, 0.0000713200000000 ] - [ -0.0000650600000000, 0.0004182400000000, -0.0005602100000000 ] - [ 0.0105330800000000, -0.0050043700000000, 0.0030160900000000 ] - [ -0.0017860800000000, -0.0032055400000000, -0.0066643900000000 ] - [ -0.0000099100000000, -0.0004984900000000, -0.0003970700000000 ] - [ -0.0004296400000000, -0.0008619700000000, -0.0004871000000000 ] - [ 0.0001535600000000, 0.0005345800000000, -0.0007799500000000 ] - [ -0.0000384800000000, -0.0010593200000000, -0.0004736000000000 ]- atom: 85 displacement: [ -0.0035230240541542, 0.0000000000000000, 0.0093588621911988 ] forces: - [ 0.0000495100000000, -0.0011582100000000, -0.0002508000000000 ] - [ -0.0000945900000000, -0.0000812200000000, -0.0000742400000000 ] - [ 0.0008989200000000, -0.0004905400000000, -0.0009352100000000 ] - [ 0.0003158500000000, -0.0000087600000000, 0.0001434000000000 ] - [ -0.0000639100000000, -0.0002942400000000, -0.0001902800000000 ] - [ -0.0004007600000000, -0.0003492900000000, 0.0002403900000000 ] - [ -0.0000899200000000, 0.0000606300000000, -0.0001811800000000 ] - [ -0.0004157000000000, 0.0006106300000000, 0.0025431800000000 ] - [ -0.0004806400000000, -0.0006812800000000, -0.0010602700000000 ] - [ -0.0000266700000000, 0.0000903500000000, 0.0001143300000000 ] - [ 0.0001406100000000, 0.0001803700000000, 0.0003145400000000 ] - [ 0.0001596000000000, -0.0003269700000000, 0.0007438100000000 ] - [ 0.0004480400000000, -0.0001568700000000, 0.0000832300000000 ] - [ 0.0003956500000000, 0.0008786900000000, -0.0002069100000000 ] - [ 0.0000061600000000, -0.0001975100000000, 0.0000499900000000 ] - [ -0.0003031900000000, -0.0000780500000000, -0.0000096300000000 ] - [ -0.0000995300000000, 0.0000896600000000, 0.0000492200000000 ] - [ -0.0005081900000000, -0.0000191000000000, -0.0004882100000000 ] - [ -0.0003984400000000, 0.0000575700000000, -0.0000272600000000 ] - [ 0.0003797900000000, 0.0001384700000000, -0.0005895700000000 ] - [ 0.0002591900000000, -0.0001291200000000, -0.0000590100000000 ] - [ 0.0003218000000000, -0.0000449000000000, -0.0000728100000000 ] - [ -0.0001110800000000, 0.0000987400000000, 0.0009018700000000 ] - [ -0.0002070700000000, 0.0010965200000000, -0.0018330600000000 ] - [ -0.0035428600000000, 0.0001140400000000, 0.0006418300000000 ] - [ 0.0013407000000000, -0.0013690600000000, 0.0006391400000000 ] - [ -0.0045326800000000, 0.0087064200000000, 0.0179788500000000 ] - [ 0.0007412500000000, 0.0001264800000000, 0.0003537100000000 ] - [ 0.0000436200000000, 0.0000067200000000, -0.0003771600000000 ] - [ 0.0029734500000000, -0.0000334600000000, 0.0050297700000000 ] - [ 0.0000218700000000, -0.0002269300000000, 0.0006562700000000 ] - [ -0.0001091700000000, -0.0001410200000000, 0.0002412700000000 ] - [ -0.0001335300000000, 0.0002488000000000, -0.0000105400000000 ] - [ -0.0003534700000000, -0.0001500400000000, -0.0006356100000000 ] - [ -0.0000409500000000, 0.0000372600000000, -0.0006586600000000 ] - [ 0.0000658600000000, -0.0001119800000000, -0.0007740300000000 ] - [ 0.0007204600000000, 0.0011429500000000, -0.0020808100000000 ] - [ 0.0003211700000000, -0.0009693400000000, -0.0003902000000000 ] - [ -0.0007654900000000, -0.0008126300000000, 0.0029279500000000 ] - [ -0.0000041200000000, -0.0004645000000000, 0.0002516200000000 ] - [ -0.0082583300000000, 0.0034021300000000, 0.0124161600000000 ] - [ 0.0006668400000000, 0.0002794900000000, -0.0028848200000000 ] - [ 0.0001702800000000, -0.0005013600000000, -0.0015777800000000 ] - [ -0.0002532900000000, -0.0000354600000000, 0.0000952200000000 ] - [ 0.0023884800000000, 0.0016986300000000, -0.0003769900000000 ] - [ -0.0015737700000000, -0.0001307400000000, -0.0026159700000000 ] - [ -0.0002240900000000, 0.0006468800000000, -0.0015912100000000 ] - [ -0.0001634200000000, -0.0001261300000000, -0.0007025300000000 ] - [ 0.0000301700000000, -0.0001295100000000, -0.0001654200000000 ] - [ 0.0000753700000000, 0.0002032400000000, 0.0001025100000000 ] - [ 0.0069771900000000, 0.0043084200000000, -0.0016559700000000 ] - [ -0.0005826200000000, 0.0006536200000000, 0.0002570200000000 ] - [ -0.0014493800000000, 0.0058860800000000, 0.0030985800000000 ] - [ -0.0001379700000000, -0.0002151900000000, 0.0003561800000000 ] - [ -0.0001096400000000, -0.0007664500000000, -0.0000532300000000 ] - [ -0.0000780400000000, -0.0000360700000000, 0.0004047400000000 ] - [ 0.0001767600000000, 0.0002810300000000, -0.0002117500000000 ] - [ 0.0002636500000000, -0.0003954300000000, -0.0001592700000000 ] - [ 0.0017018100000000, -0.0000778100000000, -0.0001523200000000 ] - [ 0.0027950500000000, -0.0009872300000000, 0.0000935200000000 ] - [ -0.0007808100000000, 0.0004747500000000, -0.0016651200000000 ] - [ 0.0000843400000000, -0.0000433600000000, 0.0003636800000000 ] - [ -0.0001391700000000, 0.0005638300000000, 0.0001078000000000 ] - [ 0.0001716400000000, -0.0005041000000000, -0.0005223100000000 ] - [ -0.0000126400000000, -0.0000464500000000, 0.0001572400000000 ] - [ -0.0031569900000000, 0.0044045000000000, -0.0007963100000000 ] - [ 0.0003092700000000, -0.0017561400000000, -0.0016948300000000 ] - [ 0.0012032100000000, 0.0039285900000000, -0.0045573500000000 ] - [ -0.0001076500000000, 0.0002757100000000, 0.0002080600000000 ] - [ 0.0000686200000000, -0.0000130200000000, -0.0003531200000000 ] - [ -0.0006492500000000, -0.0004281300000000, 0.0007132700000000 ] - [ 0.0002751900000000, 0.0001302700000000, 0.0000387300000000 ] - [ 0.0003559200000000, 0.0002081600000000, -0.0001430600000000 ] - [ -0.0001052800000000, -0.0000613100000000, 0.0002730500000000 ] - [ 0.0001852800000000, -0.0002013700000000, -0.0006337700000000 ] - [ -0.0002089000000000, -0.0002632800000000, -0.0000114400000000 ] - [ -0.0000472800000000, -0.0003415400000000, -0.0000993300000000 ] - [ -0.0001532700000000, -0.0006961700000000, -0.0000346300000000 ] - [ -0.0002083300000000, -0.0000078700000000, -0.0001365500000000 ] - [ -0.0252565800000000, -0.0106199000000000, 0.0472551300000000 ] - [ 0.0001216100000000, 0.0004447300000000, -0.0000468300000000 ] - [ 0.0002303300000000, -0.0007079800000000, -0.0003604900000000 ] - [ -0.0002086000000000, 0.0000899100000000, 0.0003855200000000 ] - [ -0.0001963200000000, 0.0003561300000000, -0.0002377400000000 ] - [ 0.0522767400000000, -0.0170489400000000, -0.0587952800000000 ] - [ 0.0003058600000000, 0.0001495300000000, 0.0004193200000000 ] - [ 0.0000993000000000, 0.0001036000000000, -0.0000532200000000 ] - [ -0.0000760600000000, 0.0000250100000000, -0.0003233300000000 ] - [ -0.0002165300000000, 0.0000266900000000, 0.0003667600000000 ] - [ 0.0004363600000000, -0.0001942900000000, 0.0001516000000000 ] - [ -0.0002013100000000, -0.0004864000000000, 0.0000410700000000 ] - [ 0.0000765200000000, 0.0008393500000000, -0.0000595800000000 ] - [ -0.0004275000000000, 0.0000575500000000, 0.0003527000000000 ] - [ 0.0009311600000000, -0.0013315100000000, 0.0014655300000000 ] - [ -0.0052118400000000, -0.0080016000000000, 0.0003860200000000 ] - [ -0.0006055700000000, -0.0001389500000000, -0.0003995800000000 ] - [ 0.0045819200000000, 0.0186723800000000, -0.0153421200000000 ] - [ 0.0000976400000000, -0.0001031900000000, -0.0003638300000000 ] - [ -0.0002326000000000, 0.0002022100000000, -0.0004213800000000 ] - [ 0.0026999000000000, -0.0003317800000000, -0.0034787800000000 ] - [ 0.0001843700000000, 0.0000235500000000, 0.0010278000000000 ] - [ -0.0015721600000000, 0.0051493800000000, -0.0005207500000000 ] - [ 0.0001903600000000, 0.0002982600000000, 0.0005517500000000 ] - [ -0.0002633400000000, -0.0008913600000000, 0.0000261700000000 ] - [ 0.0003008000000000, -0.0008332900000000, 0.0001836300000000 ] - [ -0.0002398900000000, -0.0002949600000000, 0.0002537300000000 ] - [ -0.0003493000000000, 0.0002830600000000, 0.0001928600000000 ] - [ 0.0005370000000000, 0.0000654200000000, -0.0000705300000000 ] - [ 0.0002899800000000, -0.0010513100000000, 0.0006489200000000 ] - [ -0.0005299700000000, 0.0015544500000000, 0.0017587100000000 ] - [ -0.0001270700000000, -0.0002437900000000, 0.0002287700000000 ] - [ 0.0002651600000000, 0.0001073600000000, 0.0000328000000000 ] - [ 0.0001209800000000, 0.0003899400000000, 0.0000491400000000 ] - [ -0.0000292900000000, -0.0000251200000000, 0.0004620800000000 ] - [ 0.0022723600000000, 0.0003383300000000, 0.0007738700000000 ] - [ 0.0002163900000000, 0.0001969500000000, -0.0001876800000000 ] - [ -0.0000884800000000, -0.0006861400000000, 0.0004629500000000 ] - [ 0.0001877700000000, -0.0000914900000000, 0.0002043500000000 ] - [ -0.0000433100000000, -0.0000446700000000, 0.0000409200000000 ] - [ -0.0042145900000000, -0.0008591200000000, 0.0000758000000000 ] - [ -0.0059140900000000, -0.0137191300000000, -0.0146976700000000 ] - [ -0.0001326400000000, -0.0000242200000000, 0.0002009300000000 ] - [ -0.0000509200000000, 0.0002599000000000, -0.0001892500000000 ] - [ 0.0001213000000000, 0.0006049500000000, -0.0002003500000000 ] - [ -0.0002231800000000, -0.0003352000000000, 0.0000812000000000 ] - [ 0.0000733100000000, -0.0006756900000000, 0.0028844600000000 ] - [ -0.0000512600000000, 0.0000964800000000, -0.0003917100000000 ] - [ 0.0001325600000000, 0.0000897100000000, -0.0005545700000000 ] - [ -0.0004866600000000, -0.0022175000000000, -0.0009278000000000 ] - [ 0.0003017000000000, 0.0004715600000000, -0.0001020400000000 ] - [ -0.0002565000000000, 0.0000307600000000, -0.0001755000000000 ] - [ -0.0001396900000000, 0.0000121200000000, -0.0000474800000000 ] - [ -0.0000120500000000, -0.0003612800000000, 0.0001109500000000 ] - [ -0.0002128100000000, 0.0005783600000000, 0.0005518900000000 ] - [ -0.0001297200000000, 0.0007729400000000, -0.0000610600000000 ] - [ -0.0034230700000000, 0.0041492900000000, -0.0002055200000000 ] - [ 0.0004415200000000, 0.0000302000000000, 0.0001079200000000 ] - [ -0.0013819000000000, -0.0017748000000000, 0.0028429400000000 ] - [ 0.0001294500000000, 0.0006810800000000, -0.0001398200000000 ] - [ -0.0008216400000000, -0.0001010300000000, 0.0009707200000000 ] - [ -0.0002945500000000, -0.0004129100000000, 0.0003468700000000 ] - [ -0.0014472400000000, -0.0017367500000000, 0.0010198900000000 ] - [ 0.0001695800000000, 0.0007302000000000, 0.0003024200000000 ] - [ 0.0067327500000000, 0.0007835300000000, 0.0039530400000000 ] - [ -0.0000622100000000, 0.0004240200000000, 0.0007093100000000 ] - [ 0.0009869800000000, 0.0006150900000000, -0.0003221300000000 ] - [ -0.0029055900000000, 0.0001630700000000, 0.0063164800000000 ] - [ -0.0004474900000000, -0.0001991400000000, 0.0001575700000000 ] - [ -0.0003714200000000, -0.0004580600000000, 0.0003413700000000 ] - [ 0.0000975200000000, 0.0000367800000000, 0.0001431700000000 ] - [ 0.0001360700000000, 0.0001150400000000, -0.0002929200000000 ] - [ -0.0000541800000000, -0.0001967000000000, 0.0004687500000000 ] - [ 0.0002250700000000, -0.0000904100000000, -0.0005038000000000 ] - [ 0.0002050500000000, 0.0008944000000000, -0.0000383500000000 ] - [ -0.0092495300000000, 0.0005540200000000, 0.0067896900000000 ] - [ -0.0014312500000000, -0.0001500500000000, -0.0004421500000000 ] - [ 0.0000400800000000, -0.0006065300000000, 0.0006447100000000 ] - [ -0.0024709600000000, -0.0009454800000000, -0.0019585800000000 ] - [ 0.0017192300000000, -0.0020642400000000, -0.0042825100000000 ] - [ 0.0002154400000000, -0.0001830400000000, 0.0005272800000000 ] - [ -0.0001280600000000, 0.0000642800000000, -0.0010201900000000 ] - [ -0.0000773300000000, 0.0006022500000000, 0.0002040400000000 ] - [ -0.0023516100000000, 0.0004471700000000, -0.0004091300000000 ] - [ 0.0004453800000000, 0.0002898100000000, -0.0002488300000000 ] - [ -0.0002460200000000, 0.0002997900000000, 0.0003340900000000 ] - [ 0.0000051900000000, -0.0005926700000000, 0.0001972200000000 ] - [ -0.0000973200000000, 0.0001538700000000, 0.0004302800000000 ] - [ 0.0001444800000000, 0.0002625800000000, -0.0002515600000000 ] - [ 0.0000213000000000, -0.0001176600000000, 0.0001974600000000 ] - [ 0.0008868600000000, -0.0004183800000000, 0.0004472600000000 ] - [ -0.0022061700000000, 0.0014697300000000, -0.0036974500000000 ] - [ 0.0012658700000000, 0.0016246400000000, 0.0028693100000000 ] - [ -0.0003513000000000, -0.0000529800000000, 0.0004116100000000 ] - [ -0.0002689600000000, 0.0000941000000000, -0.0001396700000000 ] - [ 0.0001154900000000, -0.0005760400000000, 0.0008773700000000 ] - [ 0.0003324700000000, 0.0002496200000000, -0.0001664800000000 ]- atom: 85 displacement: [ 0.0035230240541542, 0.0000000000000000, -0.0093588621911988 ] forces: - [ 0.0001298200000000, 0.0009377800000000, 0.0004506300000000 ] - [ -0.0000360300000000, 0.0005289900000000, 0.0000189800000000 ] - [ -0.0002839800000000, 0.0004849800000000, 0.0007983700000000 ] - [ -0.0002238300000000, -0.0006646000000000, 0.0001317900000000 ] - [ -0.0000284600000000, -0.0003693200000000, -0.0000869300000000 ] - [ 0.0002128800000000, 0.0001374500000000, -0.0004270700000000 ] - [ -0.0001000700000000, 0.0001603900000000, -0.0000048300000000 ] - [ 0.0013002100000000, -0.0003890700000000, -0.0021485300000000 ] - [ 0.0005353500000000, 0.0005607600000000, 0.0009434400000000 ] - [ -0.0000344000000000, 0.0000224200000000, 0.0000031200000000 ] - [ -0.0000431000000000, 0.0004856600000000, -0.0000279000000000 ] - [ -0.0000416400000000, -0.0001137900000000, -0.0007013600000000 ] - [ 0.0004225100000000, -0.0001802700000000, 0.0001340000000000 ] - [ -0.0003261800000000, -0.0007710300000000, 0.0000720500000000 ] - [ -0.0000667400000000, 0.0000917000000000, 0.0000667500000000 ] - [ -0.0003151100000000, 0.0000704600000000, 0.0001529300000000 ] - [ -0.0000303800000000, -0.0005273900000000, -0.0001041700000000 ] - [ -0.0003622200000000, -0.0003208800000000, 0.0002689100000000 ] - [ -0.0004716700000000, 0.0002849000000000, -0.0001947800000000 ] - [ -0.0002452100000000, 0.0002997900000000, 0.0006444300000000 ] - [ 0.0003594700000000, 0.0001446800000000, -0.0000800100000000 ] - [ -0.0004165000000000, 0.0007174500000000, -0.0002055000000000 ] - [ -0.0005054400000000, -0.0000917400000000, -0.0007611900000000 ] - [ 0.0003990600000000, -0.0008931000000000, 0.0020329600000000 ] - [ 0.0040822600000000, -0.0003330900000000, 0.0002862900000000 ] - [ -0.0012434700000000, 0.0008880100000000, -0.0003555500000000 ] - [ 0.0041353500000000, -0.0104336400000000, -0.0176407800000000 ] - [ -0.0012458600000000, -0.0004436300000000, -0.0012603500000000 ] - [ -0.0001287800000000, 0.0004809800000000, 0.0000957600000000 ] - [ -0.0027242100000000, 0.0002866500000000, -0.0058830800000000 ] - [ -0.0002039400000000, 0.0005635500000000, 0.0002010100000000 ] - [ 0.0002225900000000, 0.0005275800000000, -0.0001636600000000 ] - [ -0.0002602600000000, 0.0007822000000000, 0.0006842400000000 ] - [ -0.0001557600000000, 0.0004847400000000, -0.0002688700000000 ] - [ -0.0000715400000000, -0.0004156400000000, 0.0005783200000000 ] - [ 0.0001153700000000, -0.0002119800000000, -0.0000810600000000 ] - [ -0.0003422800000000, -0.0009531600000000, 0.0019762300000000 ] - [ 0.0000680600000000, -0.0000464500000000, -0.0002713600000000 ] - [ 0.0006693600000000, 0.0003497400000000, -0.0032208900000000 ] - [ 0.0003781800000000, 0.0003026900000000, -0.0003609100000000 ] - [ 0.0075207000000000, -0.0029413200000000, -0.0124567800000000 ] - [ -0.0001604700000000, 0.0000329600000000, 0.0037939500000000 ] - [ -0.0000558700000000, 0.0001385600000000, 0.0016599100000000 ] - [ -0.0001237900000000, 0.0002268500000000, -0.0000012200000000 ] - [ -0.0027456900000000, -0.0018890500000000, 0.0004778300000000 ] - [ 0.0019718500000000, 0.0011588800000000, 0.0019606000000000 ] - [ 0.0003084300000000, -0.0001802700000000, 0.0018801900000000 ] - [ -0.0000208500000000, -0.0001868400000000, 0.0015582600000000 ] - [ -0.0003625400000000, -0.0003579100000000, 0.0001177400000000 ] - [ -0.0000060200000000, 0.0001959700000000, 0.0000606100000000 ] - [ -0.0066114600000000, -0.0042839500000000, 0.0009475100000000 ] - [ 0.0008697700000000, -0.0007915000000000, 0.0002829100000000 ] - [ 0.0018763900000000, -0.0052042300000000, -0.0033279600000000 ] - [ -0.0002951400000000, 0.0009061300000000, -0.0001293800000000 ] - [ 0.0004415800000000, 0.0002944800000000, 0.0001017300000000 ] - [ 0.0003588400000000, -0.0007377500000000, -0.0008865900000000 ] - [ -0.0001485900000000, 0.0003302200000000, -0.0000026500000000 ] - [ 0.0001496200000000, -0.0002748800000000, -0.0000706700000000 ] - [ -0.0017635500000000, 0.0004592200000000, -0.0000103600000000 ] - [ -0.0028053900000000, 0.0003602700000000, 0.0001186300000000 ] - [ 0.0004976900000000, -0.0003363600000000, 0.0011294100000000 ] - [ 0.0002129200000000, 0.0001910600000000, 0.0001757900000000 ] - [ 0.0001115300000000, 0.0000325900000000, 0.0001064400000000 ] - [ -0.0005825000000000, -0.0001692800000000, 0.0007536500000000 ] - [ -0.0002801800000000, -0.0000958600000000, -0.0007079800000000 ] - [ 0.0034325300000000, -0.0046971400000000, 0.0006520900000000 ] - [ -0.0005644700000000, 0.0020288800000000, 0.0018535300000000 ] - [ -0.0009053700000000, -0.0031412300000000, 0.0040800900000000 ] - [ -0.0001875100000000, 0.0004988600000000, 0.0002516600000000 ] - [ 0.0001877900000000, 0.0002728500000000, 0.0002205500000000 ] - [ 0.0002152000000000, 0.0003531200000000, -0.0000165700000000 ] - [ 0.0000555100000000, 0.0003569900000000, 0.0000086800000000 ] - [ -0.0006432000000000, -0.0009741800000000, 0.0006009500000000 ] - [ -0.0003339700000000, 0.0001422500000000, 0.0004288300000000 ] - [ 0.0002473400000000, 0.0001318700000000, -0.0000393200000000 ] - [ -0.0000443300000000, 0.0000083700000000, 0.0001506500000000 ] - [ -0.0000166800000000, -0.0000329900000000, -0.0000636800000000 ] - [ 0.0001818000000000, 0.0001048200000000, -0.0001800000000000 ] - [ 0.0002695900000000, -0.0003762500000000, 0.0002987600000000 ] - [ 0.0244564600000000, 0.0098569600000000, -0.0471848100000000 ] - [ 0.0004000600000000, 0.0003357800000000, 0.0001072600000000 ] - [ -0.0003615800000000, 0.0006829500000000, 0.0012161800000000 ] - [ -0.0003585700000000, -0.0002870800000000, 0.0000740100000000 ] - [ -0.0000989500000000, 0.0003891500000000, -0.0000050900000000 ] - [ -0.0510637700000000, 0.0194138500000000, 0.0595826400000000 ] - [ 0.0001587300000000, -0.0000774100000000, -0.0002430800000000 ] - [ 0.0003623600000000, -0.0001939600000000, -0.0001941300000000 ] - [ -0.0004620000000000, 0.0000519100000000, 0.0001264500000000 ] - [ -0.0001654500000000, -0.0001083800000000, 0.0000107800000000 ] - [ 0.0000862500000000, -0.0005978200000000, -0.0000910600000000 ] - [ 0.0004462400000000, 0.0006216700000000, 0.0002501300000000 ] - [ -0.0003286600000000, 0.0002212300000000, 0.0004099100000000 ] - [ -0.0000556500000000, 0.0004472100000000, 0.0004922400000000 ] - [ -0.0003595300000000, 0.0013117100000000, -0.0008819900000000 ] - [ 0.0050149600000000, 0.0067871900000000, -0.0000499300000000 ] - [ 0.0008314000000000, -0.0009609400000000, 0.0000331200000000 ] - [ -0.0042064700000000, -0.0182046600000000, 0.0154169300000000 ] - [ 0.0000580500000000, -0.0011043800000000, 0.0000313100000000 ] - [ -0.0001510300000000, -0.0001276300000000, 0.0008049100000000 ] - [ -0.0031111500000000, 0.0011925300000000, 0.0034382000000000 ] - [ -0.0000526800000000, -0.0000028800000000, -0.0018896600000000 ] - [ 0.0010109000000000, -0.0051636300000000, -0.0000771800000000 ] - [ 0.0003840800000000, -0.0002702400000000, 0.0000312700000000 ] - [ 0.0000131700000000, -0.0002351500000000, 0.0003388400000000 ] - [ -0.0000511500000000, -0.0002298400000000, -0.0005343100000000 ] - [ -0.0000333200000000, 0.0004145600000000, -0.0000526200000000 ] - [ -0.0001170000000000, -0.0002148700000000, -0.0003843500000000 ] - [ -0.0000517000000000, 0.0004347000000000, -0.0007667100000000 ] - [ -0.0000263200000000, 0.0009309200000000, -0.0008469500000000 ] - [ 0.0002029000000000, -0.0010162700000000, -0.0011800100000000 ] - [ -0.0002019200000000, -0.0003111600000000, 0.0003622400000000 ] - [ 0.0002848900000000, -0.0001967200000000, 0.0001760700000000 ] - [ 0.0002053100000000, 0.0001618600000000, -0.0006420900000000 ] - [ 0.0001081600000000, 0.0001076500000000, 0.0001999800000000 ] - [ -0.0027481300000000, -0.0008245900000000, 0.0000492700000000 ] - [ 0.0000415800000000, -0.0000920600000000, -0.0000126600000000 ] - [ 0.0006307100000000, 0.0007660400000000, -0.0002581400000000 ] - [ 0.0001289000000000, 0.0001968800000000, 0.0001299700000000 ] - [ -0.0002530400000000, -0.0007153000000000, -0.0002851900000000 ] - [ 0.0045067000000000, 0.0007688100000000, 0.0002654200000000 ] - [ 0.0052406500000000, 0.0143589700000000, 0.0147416500000000 ] - [ -0.0001559800000000, -0.0002012400000000, 0.0001333100000000 ] - [ -0.0002670000000000, -0.0003740700000000, -0.0001454100000000 ] - [ 0.0000817400000000, -0.0002878800000000, 0.0003221100000000 ] - [ -0.0001809100000000, -0.0005437000000000, -0.0001332500000000 ] - [ -0.0003210400000000, 0.0005399800000000, -0.0031677100000000 ] - [ -0.0000284200000000, -0.0001807300000000, -0.0002704700000000 ] - [ -0.0003767400000000, 0.0000302500000000, 0.0002881800000000 ] - [ 0.0014244400000000, 0.0023600700000000, 0.0010538800000000 ] - [ 0.0006295400000000, 0.0000845000000000, -0.0000271800000000 ] - [ -0.0002114500000000, -0.0001070900000000, -0.0000179300000000 ] - [ -0.0001235900000000, -0.0001264500000000, 0.0002545600000000 ] - [ -0.0001897600000000, 0.0000402700000000, -0.0002320700000000 ] - [ 0.0003627000000000, 0.0006093500000000, -0.0008883900000000 ] - [ -0.0007999600000000, -0.0006523600000000, -0.0000635100000000 ] - [ 0.0036665300000000, -0.0030487900000000, -0.0001393800000000 ] - [ 0.0005109800000000, -0.0001865700000000, 0.0000192200000000 ] - [ 0.0017785400000000, 0.0017185500000000, -0.0032394900000000 ] - [ 0.0000957500000000, 0.0004213500000000, -0.0002270900000000 ] - [ -0.0001289600000000, -0.0000489300000000, -0.0010989800000000 ] - [ 0.0000431600000000, -0.0006659300000000, 0.0000031200000000 ] - [ 0.0008930200000000, 0.0016473000000000, -0.0012244100000000 ] - [ -0.0002506900000000, -0.0006603300000000, -0.0009682000000000 ] - [ -0.0073569000000000, -0.0005895000000000, -0.0035121900000000 ] - [ -0.0001604300000000, 0.0006853600000000, -0.0003428100000000 ] - [ -0.0005330700000000, -0.0005337300000000, 0.0000780400000000 ] - [ 0.0026364800000000, -0.0002862000000000, -0.0058378100000000 ] - [ -0.0004922100000000, -0.0003712000000000, -0.0000304600000000 ] - [ -0.0001488300000000, -0.0003211200000000, -0.0004025300000000 ] - [ 0.0001511500000000, -0.0001776000000000, 0.0001500300000000 ] - [ 0.0000971800000000, -0.0002698300000000, -0.0001411000000000 ] - [ 0.0002856700000000, 0.0003417800000000, -0.0009023800000000 ] - [ 0.0002558400000000, -0.0004174800000000, -0.0003347900000000 ] - [ 0.0002073700000000, -0.0000228000000000, 0.0000866200000000 ] - [ 0.0089303700000000, -0.0006515300000000, -0.0066485000000000 ] - [ 0.0011381800000000, 0.0003805600000000, 0.0007774900000000 ] - [ 0.0002529300000000, -0.0001374700000000, -0.0004017500000000 ] - [ 0.0029521200000000, 0.0008975900000000, 0.0021865500000000 ] - [ -0.0013844800000000, 0.0015359100000000, 0.0036987900000000 ] - [ 0.0000774100000000, -0.0000378300000000, -0.0008610600000000 ] - [ 0.0002604500000000, -0.0000829900000000, 0.0001720200000000 ] - [ -0.0000732200000000, 0.0005859300000000, 0.0001337300000000 ] - [ 0.0021328500000000, -0.0001089400000000, 0.0002845100000000 ] - [ -0.0000615400000000, -0.0002237400000000, -0.0001727500000000 ] - [ -0.0002036800000000, -0.0002224600000000, -0.0000991600000000 ] - [ -0.0002368100000000, 0.0007508000000000, 0.0002514400000000 ] - [ -0.0000367700000000, -0.0001397000000000, 0.0004263600000000 ] - [ 0.0001414900000000, -0.0000577200000000, -0.0000811600000000 ] - [ 0.0001802300000000, -0.0002169600000000, -0.0000765400000000 ] - [ 0.0000517400000000, -0.0001470700000000, -0.0005766000000000 ] - [ 0.0012543000000000, -0.0008746100000000, 0.0038365400000000 ] - [ -0.0007031500000000, -0.0018267700000000, -0.0033444300000000 ] - [ 0.0000350000000000, 0.0001471100000000, -0.0007454800000000 ] - [ -0.0003089700000000, -0.0001272400000000, -0.0004522900000000 ] - [ 0.0002849000000000, -0.0002964700000000, -0.0008298100000000 ] - [ 0.0002331900000000, -0.0000582500000000, -0.0002974600000000 ]- atom: 86 displacement: [ 0.0099999639143206, 0.0000000000000000, -0.0000268647033593 ] forces: - [ -0.0016124000000000, -0.0015531800000000, -0.0011965400000000 ] - [ -0.0002150700000000, 0.0002131900000000, -0.0000652500000000 ] - [ 0.0003027100000000, 0.0000007000000000, -0.0000709300000000 ] - [ 0.0003646500000000, -0.0002820000000000, 0.0000327200000000 ] - [ 0.0003515000000000, -0.0001297300000000, -0.0000343100000000 ] - [ -0.0001160700000000, -0.0000557300000000, -0.0001491900000000 ] - [ -0.0005998500000000, 0.0000333600000000, -0.0000527800000000 ] - [ 0.0005763800000000, 0.0001568500000000, 0.0001399100000000 ] - [ 0.0023462000000000, -0.0006312000000000, 0.0003727400000000 ] - [ 0.0000001900000000, -0.0000036100000000, 0.0001227400000000 ] - [ 0.0006833300000000, 0.0014156700000000, 0.0021110000000000 ] - [ -0.0000796100000000, -0.0003400200000000, -0.0003706900000000 ] - [ 0.0002888000000000, -0.0001315300000000, 0.0004613800000000 ] - [ 0.0001533400000000, 0.0000029100000000, -0.0000316600000000 ] - [ 0.0000559800000000, -0.0000414400000000, 0.0000183100000000 ] - [ 0.0033647300000000, 0.0013982400000000, 0.0007573600000000 ] - [ -0.0000945700000000, -0.0000191800000000, -0.0000303000000000 ] - [ -0.0004477100000000, 0.0000108000000000, -0.0001220200000000 ] - [ -0.0004785600000000, 0.0001688000000000, -0.0002212200000000 ] - [ -0.0006485100000000, 0.0006585900000000, -0.0000178300000000 ] - [ 0.0020226900000000, 0.0012971600000000, -0.0009530000000000 ] - [ -0.0000348300000000, 0.0003907700000000, -0.0001434700000000 ] - [ -0.0003006700000000, 0.0000477900000000, 0.0000523900000000 ] - [ -0.0002021900000000, 0.0001795500000000, -0.0000276300000000 ] - [ 0.0017546100000000, -0.0007028600000000, -0.0037245600000000 ] - [ -0.0007404300000000, -0.0007254200000000, 0.0012273100000000 ] - [ -0.0002125800000000, -0.0005922000000000, 0.0001873000000000 ] - [ -0.0003633000000000, 0.0000209100000000, -0.0004504100000000 ] - [ 0.0001286800000000, 0.0012062500000000, 0.0009583700000000 ] - [ 0.0003292100000000, 0.0003961800000000, 0.0003101500000000 ] - [ 0.0002230500000000, 0.0002923600000000, 0.0008301200000000 ] - [ -0.0002326300000000, 0.0007363900000000, -0.0008301700000000 ] - [ -0.0117081100000000, 0.0078448800000000, 0.0079951800000000 ] - [ 0.0000802900000000, -0.0009602400000000, -0.0010324100000000 ] - [ -0.0049617200000000, -0.0002056300000000, -0.0009456500000000 ] - [ 0.0123046200000000, 0.0005620800000000, -0.0136932300000000 ] - [ 0.0001011700000000, 0.0000361000000000, 0.0000047800000000 ] - [ -0.0028557200000000, -0.0009236000000000, 0.0001481000000000 ] - [ 0.0000865000000000, -0.0000049900000000, -0.0001448800000000 ] - [ 0.0002951800000000, 0.0002157500000000, -0.0010066800000000 ] - [ -0.0006186700000000, -0.0003326500000000, -0.0004508700000000 ] - [ 0.0001245000000000, -0.0015650900000000, 0.0008512700000000 ] - [ -0.0002080400000000, -0.0000752600000000, 0.0000519200000000 ] - [ -0.0005420600000000, -0.0014576400000000, -0.0026746900000000 ] - [ -0.0006194300000000, 0.0001437300000000, 0.0001231900000000 ] - [ 0.0001565200000000, 0.0008081000000000, -0.0004925000000000 ] - [ 0.0003204300000000, 0.0024063500000000, -0.0006058900000000 ] - [ 0.0001244700000000, 0.0000239500000000, 0.0004894100000000 ] - [ -0.0029977700000000, -0.0012726400000000, 0.0006140900000000 ] - [ 0.0008103000000000, -0.0001088100000000, 0.0003968200000000 ] - [ 0.0002820200000000, -0.0000260600000000, -0.0001000400000000 ] - [ 0.0002188000000000, -0.0000436300000000, 0.0003709600000000 ] - [ 0.0001830900000000, 0.0003318700000000, -0.0001426100000000 ] - [ -0.0012592400000000, 0.0008664300000000, -0.0004660300000000 ] - [ 0.0002064200000000, -0.0002807200000000, 0.0000089800000000 ] - [ -0.0003798000000000, -0.0006030900000000, -0.0010067100000000 ] - [ 0.0000012800000000, 0.0005483900000000, -0.0000832000000000 ] - [ -0.0022099300000000, -0.0010296800000000, 0.0002760700000000 ] - [ 0.0000213900000000, 0.0003304200000000, -0.0000632400000000 ] - [ -0.0010122500000000, -0.0002456100000000, 0.0001917100000000 ] - [ -0.0004081200000000, 0.0006390000000000, 0.0006374100000000 ] - [ 0.0002370600000000, 0.0000892400000000, 0.0004335000000000 ] - [ -0.0011101900000000, 0.0037389600000000, -0.0017664200000000 ] - [ -0.0007257200000000, -0.0002228000000000, 0.0002307600000000 ] - [ -0.0003301300000000, -0.0002425100000000, -0.0002727900000000 ] - [ -0.0000177700000000, -0.0001148400000000, -0.0005441800000000 ] - [ -0.0001866500000000, 0.0002131500000000, 0.0000188200000000 ] - [ -0.0002402300000000, -0.0000641900000000, 0.0000556000000000 ] - [ -0.0002895900000000, 0.0002315100000000, -0.0002710100000000 ] - [ -0.0026896800000000, -0.0028092400000000, 0.0007944200000000 ] - [ -0.0001229000000000, 0.0000362200000000, 0.0003014000000000 ] - [ -0.0000699200000000, 0.0003842100000000, 0.0000513000000000 ] - [ -0.0002159700000000, -0.0003767200000000, 0.0002194900000000 ] - [ 0.0007352900000000, -0.0008295700000000, 0.0012227800000000 ] - [ 0.1425874100000000, -0.0214702800000000, 0.1010604100000000 ] - [ 0.0004079500000000, 0.0014689400000000, -0.0004152000000000 ] - [ 0.0047639500000000, -0.0003329700000000, 0.0004126100000000 ] - [ 0.0001999600000000, 0.0000556300000000, -0.0001230200000000 ] - [ 0.0003018700000000, -0.0000697100000000, 0.0000908100000000 ] - [ 0.0002185400000000, -0.0004498600000000, -0.0001301100000000 ] - [ 0.0003685800000000, 0.0003279900000000, -0.0000761900000000 ] - [ -0.0001286100000000, -0.0000861700000000, 0.0003472300000000 ] - [ 0.0040232500000000, 0.0016462400000000, 0.0006389800000000 ] - [ 0.0000529400000000, 0.0002258300000000, -0.0000489800000000 ] - [ 0.0000294200000000, 0.0004091900000000, 0.0003986400000000 ] - [ -0.1916047100000000, 0.0389280100000000, -0.1351196400000000 ] - [ 0.0010387100000000, 0.0011911300000000, -0.0014707800000000 ] - [ 0.0001892000000000, 0.0000601000000000, 0.0006667300000000 ] - [ -0.0003753400000000, 0.0007241300000000, 0.0000221000000000 ] - [ 0.0001308700000000, -0.0002923700000000, 0.0000583400000000 ] - [ 0.0001713000000000, -0.0000072500000000, 0.0001093900000000 ] - [ -0.0002150900000000, 0.0003015000000000, 0.0002565600000000 ] - [ -0.0007532000000000, -0.0001731600000000, 0.0015100900000000 ] - [ 0.0003148500000000, -0.0003665200000000, 0.0008376000000000 ] - [ 0.0000032600000000, -0.0004958700000000, 0.0001650500000000 ] - [ 0.0000763400000000, -0.0006634600000000, -0.0001933900000000 ] - [ 0.0002324900000000, 0.0012678500000000, 0.0006027900000000 ] - [ 0.0002527000000000, -0.0010348700000000, 0.0002339400000000 ] - [ -0.0002174200000000, -0.0000251400000000, 0.0002685100000000 ] - [ -0.0001818400000000, 0.0003887500000000, -0.0000036400000000 ] - [ 0.0000128000000000, -0.0011117700000000, -0.0008084200000000 ] - [ -0.0002771600000000, -0.0000416600000000, -0.0002232300000000 ] - [ 0.0020662700000000, 0.0008502100000000, -0.0007447200000000 ] - [ -0.0010923400000000, -0.0003378100000000, -0.0001067000000000 ] - [ 0.0012064000000000, -0.0018003800000000, 0.0000182200000000 ] - [ 0.0003152000000000, -0.0003095700000000, -0.0003134100000000 ] - [ -0.0002999200000000, -0.0000047700000000, -0.0001142800000000 ] - [ 0.0001283100000000, 0.0002067600000000, -0.0004746900000000 ] - [ 0.0000696100000000, -0.0000716200000000, -0.0001253900000000 ] - [ -0.0001129700000000, 0.0002235600000000, 0.0003003100000000 ] - [ -0.0004419000000000, -0.0011928400000000, 0.0010346800000000 ] - [ 0.0005358300000000, 0.0000579800000000, 0.0006057600000000 ] - [ 0.0036849800000000, 0.0008659200000000, -0.0007262800000000 ] - [ 0.0024230600000000, 0.0011544300000000, -0.0016662300000000 ] - [ -0.0006564400000000, -0.0008268500000000, -0.0001038700000000 ] - [ 0.0000543900000000, -0.0000410700000000, -0.0000669900000000 ] - [ 0.0003678800000000, 0.0000115000000000, 0.0001094700000000 ] - [ 0.0026617500000000, -0.0007898300000000, 0.0049534900000000 ] - [ -0.0000280700000000, -0.0002161100000000, -0.0000790600000000 ] - [ 0.0005177800000000, -0.0001846100000000, 0.0001441600000000 ] - [ -0.0007496100000000, 0.0010050800000000, -0.0000191000000000 ] - [ -0.0032725700000000, 0.0023387900000000, 0.0028646000000000 ] - [ -0.0003063600000000, -0.0004298500000000, 0.0001301900000000 ] - [ -0.0000544000000000, 0.0000182400000000, 0.0000183400000000 ] - [ 0.0018661100000000, -0.0010391300000000, -0.0015321500000000 ] - [ -0.0001104800000000, 0.0002419800000000, -0.0000958000000000 ] - [ 0.0003428100000000, -0.0001782400000000, -0.0003079100000000 ] - [ -0.0000191300000000, -0.0001689400000000, 0.0009952000000000 ] - [ 0.0005276100000000, 0.0000281100000000, 0.0000638300000000 ] - [ 0.0002661100000000, 0.0003405900000000, -0.0003475900000000 ] - [ -0.0010725800000000, -0.0000106100000000, -0.0008058200000000 ] - [ -0.0009516500000000, -0.0004576200000000, -0.0002985300000000 ] - [ -0.0010363800000000, -0.0013033000000000, 0.0025465600000000 ] - [ 0.0002477600000000, 0.0004906000000000, -0.0002079400000000 ] - [ 0.0000941100000000, -0.0002933900000000, 0.0011131700000000 ] - [ 0.0009492500000000, 0.0008444600000000, 0.0000102400000000 ] - [ 0.0017044700000000, 0.0004926300000000, 0.0007398000000000 ] - [ 0.0001828600000000, 0.0001099100000000, -0.0006111200000000 ] - [ -0.0012943200000000, 0.0007776500000000, -0.0003263400000000 ] - [ 0.0000096900000000, 0.0001212900000000, -0.0000661900000000 ] - [ 0.0000171200000000, -0.0008276400000000, 0.0001243800000000 ] - [ 0.0001369900000000, 0.0000973300000000, -0.0001714500000000 ] - [ 0.0000070800000000, 0.0000492000000000, -0.0003302100000000 ] - [ -0.0001205900000000, -0.0000100800000000, 0.0004355800000000 ] - [ -0.0008506900000000, 0.0004659900000000, 0.0001763700000000 ] - [ 0.0001412900000000, -0.0000545600000000, -0.0000529800000000 ] - [ 0.0000735500000000, 0.0006566100000000, 0.0001686600000000 ] - [ -0.0027915100000000, -0.0019677300000000, -0.0020403200000000 ] - [ 0.0025775200000000, 0.0026004400000000, -0.0036542300000000 ] - [ 0.0001717100000000, 0.0002776000000000, 0.0006692200000000 ] - [ 0.0001245300000000, 0.0000063700000000, 0.0002736300000000 ] - [ 0.0001968000000000, 0.0000369200000000, -0.0002271700000000 ] - [ 0.0001666200000000, -0.0002878400000000, -0.0005189500000000 ] - [ 0.0013193800000000, 0.0005262200000000, 0.0001878800000000 ] - [ -0.0002285600000000, -0.0000342600000000, 0.0001109000000000 ] - [ -0.0001566100000000, -0.0000060800000000, 0.0001004500000000 ] - [ 0.0022307800000000, 0.0004863600000000, 0.0001550400000000 ] - [ 0.0001189700000000, -0.0000387500000000, -0.0001117700000000 ] - [ 0.0002620800000000, -0.0001913000000000, 0.0000556100000000 ] - [ -0.0001019700000000, -0.0001613100000000, -0.0002021000000000 ] - [ 0.0002098000000000, 0.0001317500000000, -0.0003003500000000 ] - [ 0.0010857600000000, 0.0012432100000000, 0.0003202500000000 ] - [ 0.0006876600000000, -0.0001745600000000, -0.0010161600000000 ] - [ -0.0110719700000000, 0.0017817600000000, 0.0185157600000000 ] - [ 0.0460371300000000, -0.0293690400000000, 0.0222650600000000 ] - [ 0.0003813200000000, 0.0002473800000000, 0.0008068400000000 ] - [ -0.0000520700000000, -0.0000859300000000, 0.0001014400000000 ] - [ -0.0007175300000000, 0.0000266500000000, 0.0001276100000000 ] - [ 0.0000106900000000, -0.0004472000000000, -0.0000217000000000 ] - [ 0.0002572200000000, -0.0004793900000000, -0.0000097900000000 ] - [ -0.0005629500000000, 0.0002004700000000, 0.0000091700000000 ] - [ 0.0003761700000000, -0.0001667900000000, -0.0001583600000000 ] - [ -0.0001180600000000, -0.0001052900000000, -0.0001691600000000 ] - [ -0.0002724400000000, -0.0016570900000000, -0.0007597800000000 ] - [ 0.0006363300000000, -0.0008046500000000, 0.0001143100000000 ] - [ 0.0023955000000000, -0.0019356500000000, 0.0006364700000000 ]- atom: 86 displacement: [ -0.0099999639143206, 0.0000000000000000, 0.0000268647033593 ] forces: - [ 0.0017916200000000, 0.0013415300000000, 0.0013888300000000 ] - [ 0.0000837100000000, 0.0002287300000000, 0.0000088900000000 ] - [ 0.0003126900000000, -0.0000112700000000, -0.0000749100000000 ] - [ -0.0002709500000000, -0.0003888200000000, 0.0002456700000000 ] - [ -0.0004443300000000, -0.0005381000000000, -0.0002445000000000 ] - [ -0.0000744900000000, -0.0001625700000000, -0.0000366400000000 ] - [ 0.0004089200000000, 0.0001799400000000, -0.0001348800000000 ] - [ 0.0002928900000000, 0.0001807900000000, 0.0000802000000000 ] - [ -0.0022858300000000, 0.0004949600000000, -0.0004926800000000 ] - [ -0.0000601100000000, 0.0001113800000000, -0.0000057700000000 ] - [ -0.0005161700000000, -0.0007980600000000, -0.0018915000000000 ] - [ 0.0002106100000000, -0.0001032700000000, 0.0004255400000000 ] - [ 0.0005746800000000, -0.0002043100000000, -0.0002438600000000 ] - [ -0.0000950200000000, 0.0001042600000000, -0.0000839700000000 ] - [ -0.0001160500000000, -0.0000674900000000, 0.0000989800000000 ] - [ -0.0037236300000000, -0.0011856800000000, -0.0005978800000000 ] - [ -0.0000365700000000, -0.0004252600000000, -0.0000248900000000 ] - [ -0.0004213800000000, -0.0003508200000000, -0.0000987200000000 ] - [ -0.0003905300000000, 0.0001733100000000, 0.0000037100000000 ] - [ 0.0007762200000000, -0.0002108500000000, 0.0000720400000000 ] - [ -0.0014148900000000, -0.0012781700000000, 0.0008074900000000 ] - [ -0.0000572100000000, 0.0002758500000000, -0.0001339000000000 ] - [ -0.0003149000000000, -0.0000388600000000, 0.0000933500000000 ] - [ 0.0003913800000000, 0.0000383800000000, 0.0002122500000000 ] - [ -0.0012323500000000, 0.0003844300000000, 0.0045611900000000 ] - [ 0.0008251600000000, 0.0002487000000000, -0.0009215800000000 ] - [ -0.0001778000000000, -0.0004377000000000, 0.0004791800000000 ] - [ -0.0001452800000000, -0.0003494800000000, -0.0004525900000000 ] - [ -0.0002233900000000, -0.0007279400000000, -0.0012493300000000 ] - [ -0.0001426700000000, -0.0000776000000000, -0.0011635400000000 ] - [ -0.0004042800000000, 0.0000285200000000, 0.0000340100000000 ] - [ 0.0003446100000000, -0.0003656500000000, 0.0009139800000000 ] - [ 0.0113370400000000, -0.0068414200000000, -0.0073833600000000 ] - [ -0.0005778400000000, 0.0012890500000000, 0.0001189900000000 ] - [ 0.0048332300000000, -0.0001566700000000, 0.0008492800000000 ] - [ -0.0120197400000000, -0.0009241300000000, 0.0128021000000000 ] - [ 0.0002724100000000, 0.0001456400000000, -0.0001066300000000 ] - [ 0.0032470500000000, -0.0001057400000000, -0.0007954200000000 ] - [ -0.0001718900000000, -0.0004758800000000, -0.0001350800000000 ] - [ 0.0000790700000000, -0.0003925000000000, 0.0009052500000000 ] - [ 0.0004986000000000, 0.0006989100000000, 0.0003754500000000 ] - [ 0.0003783500000000, 0.0018829400000000, 0.0000558000000000 ] - [ 0.0003212600000000, -0.0002975800000000, 0.0000224400000000 ] - [ 0.0001876700000000, 0.0016390100000000, 0.0027638500000000 ] - [ 0.0002436700000000, -0.0003304800000000, -0.0000211300000000 ] - [ 0.0002341400000000, 0.0002156300000000, -0.0001752200000000 ] - [ -0.0002286300000000, -0.0019253300000000, 0.0008824100000000 ] - [ -0.0003070200000000, -0.0003452700000000, 0.0003666600000000 ] - [ 0.0026448100000000, 0.0008114000000000, -0.0006669600000000 ] - [ -0.0007405000000000, 0.0004955800000000, -0.0002315200000000 ] - [ 0.0001546500000000, 0.0001030400000000, -0.0005976900000000 ] - [ 0.0000745100000000, -0.0001006800000000, 0.0001724000000000 ] - [ 0.0002298800000000, 0.0003394100000000, -0.0000869900000000 ] - [ 0.0008327100000000, -0.0001864600000000, 0.0007002700000000 ] - [ 0.0001249300000000, -0.0001995800000000, 0.0000386500000000 ] - [ 0.0006657200000000, -0.0001700400000000, 0.0005392200000000 ] - [ 0.0000264800000000, 0.0000542500000000, -0.0001316000000000 ] - [ 0.0026232000000000, 0.0003567100000000, -0.0005099400000000 ] - [ -0.0000847100000000, 0.0000486900000000, -0.0000992700000000 ] - [ 0.0009795900000000, -0.0003576200000000, 0.0000231600000000 ] - [ 0.0001170300000000, -0.0004936500000000, -0.0011787300000000 ] - [ 0.0000560900000000, 0.0000548500000000, 0.0001106800000000 ] - [ 0.0010930700000000, -0.0031103500000000, 0.0019591800000000 ] - [ 0.0003110800000000, -0.0004517300000000, -0.0000023000000000 ] - [ 0.0000607000000000, 0.0001050700000000, -0.0002428200000000 ] - [ 0.0002741300000000, -0.0001479300000000, 0.0004037800000000 ] - [ -0.0000691700000000, 0.0000473800000000, 0.0001200100000000 ] - [ 0.0005269900000000, 0.0008311200000000, -0.0005147500000000 ] - [ -0.0000007000000000, 0.0005390900000000, 0.0007322000000000 ] - [ 0.0029381700000000, 0.0030703700000000, -0.0009220900000000 ] - [ -0.0003140800000000, -0.0001148800000000, 0.0003982600000000 ] - [ 0.0004011700000000, 0.0000911300000000, -0.0000024800000000 ] - [ -0.0000757700000000, -0.0003942300000000, 0.0002398700000000 ] - [ -0.0011611100000000, 0.0008981000000000, -0.0005238900000000 ] - [ -0.1459319000000000, 0.0227893200000000, -0.1084711300000000 ] - [ -0.0006715800000000, -0.0017434000000000, 0.0005537200000000 ] - [ -0.0048460100000000, -0.0000246100000000, -0.0005712200000000 ] - [ -0.0001718500000000, -0.0006611300000000, -0.0000911300000000 ] - [ -0.0002377400000000, -0.0003146900000000, 0.0000715800000000 ] - [ -0.0005486400000000, 0.0009195100000000, 0.0000802100000000 ] - [ 0.0001521000000000, 0.0004610500000000, 0.0001352300000000 ] - [ -0.0000051100000000, 0.0000690500000000, 0.0005057400000000 ] - [ -0.0045896200000000, -0.0018414500000000, -0.0001792500000000 ] - [ -0.0003472800000000, 0.0005307900000000, -0.0001954300000000 ] - [ 0.0000506900000000, -0.0004792300000000, 0.0002652100000000 ] - [ 0.1958312400000000, -0.0409485000000000, 0.1424441700000000 ] - [ -0.0005813700000000, -0.0012647500000000, 0.0012176200000000 ] - [ -0.0007314900000000, 0.0000203600000000, -0.0008686900000000 ] - [ -0.0000119400000000, -0.0007965200000000, 0.0003639900000000 ] - [ 0.0003901400000000, -0.0004945300000000, 0.0000024600000000 ] - [ 0.0000761700000000, 0.0001450300000000, 0.0001820000000000 ] - [ -0.0000372100000000, 0.0007715800000000, 0.0000928500000000 ] - [ 0.0003168100000000, 0.0006801100000000, -0.0007290500000000 ] - [ 0.0002608600000000, 0.0003380900000000, -0.0002465300000000 ] - [ -0.0001530100000000, -0.0006931700000000, 0.0001696800000000 ] - [ 0.0001488400000000, -0.0004408600000000, -0.0001738600000000 ] - [ 0.0000653000000000, -0.0005028800000000, -0.0003527300000000 ] - [ -0.0000990600000000, -0.0001623500000000, -0.0005713100000000 ] - [ -0.0001650300000000, 0.0001029000000000, 0.0001112200000000 ] - [ -0.0002222700000000, 0.0004878600000000, -0.0000477200000000 ] - [ 0.0001171000000000, 0.0011256900000000, -0.0000444800000000 ] - [ -0.0003001400000000, 0.0000718300000000, -0.0003665100000000 ] - [ -0.0014838800000000, -0.0008230900000000, 0.0013156800000000 ] - [ 0.0008540700000000, -0.0007740300000000, 0.0004704600000000 ] - [ -0.0009604500000000, 0.0007229900000000, -0.0003635000000000 ] - [ -0.0005797900000000, 0.0004220600000000, 0.0005160700000000 ] - [ -0.0001678000000000, 0.0000763200000000, -0.0000768900000000 ] - [ 0.0003525700000000, 0.0002976100000000, -0.0003648300000000 ] - [ 0.0001929800000000, -0.0000398000000000, -0.0000782400000000 ] - [ -0.0002148300000000, 0.0003257600000000, 0.0002897100000000 ] - [ 0.0001173400000000, 0.0006504200000000, -0.0004503400000000 ] - [ 0.0000091900000000, -0.0001413800000000, -0.0003993700000000 ] - [ -0.0033381600000000, -0.0003246700000000, 0.0001404700000000 ] - [ -0.0023342100000000, -0.0010927800000000, 0.0023415400000000 ] - [ 0.0001699400000000, 0.0003214800000000, 0.0009427600000000 ] - [ 0.0002075500000000, 0.0001511000000000, -0.0001369800000000 ] - [ 0.0001784400000000, 0.0000725100000000, 0.0000960200000000 ] - [ -0.0023339100000000, 0.0008881800000000, -0.0045694100000000 ] - [ -0.0002680000000000, -0.0005367000000000, -0.0001639400000000 ] - [ -0.0001989500000000, 0.0000809800000000, 0.0001886900000000 ] - [ 0.0002244700000000, -0.0002097100000000, -0.0000406700000000 ] - [ 0.0029614900000000, -0.0025959300000000, -0.0025505600000000 ] - [ -0.0000104800000000, 0.0003263000000000, -0.0004662000000000 ] - [ 0.0002568100000000, 0.0003101400000000, 0.0001016300000000 ] - [ -0.0022714300000000, 0.0001701500000000, 0.0014889100000000 ] - [ -0.0001342700000000, -0.0003742200000000, -0.0001981100000000 ] - [ -0.0004227000000000, 0.0001056600000000, -0.0003602700000000 ] - [ -0.0002258100000000, 0.0002990800000000, -0.0012744500000000 ] - [ 0.0004255600000000, 0.0001260400000000, 0.0000623800000000 ] - [ 0.0006684100000000, 0.0002237000000000, 0.0002132500000000 ] - [ 0.0006006200000000, -0.0000590300000000, 0.0006099300000000 ] - [ 0.0006679600000000, 0.0003379800000000, 0.0004922300000000 ] - [ 0.0008057500000000, 0.0009764800000000, -0.0026535500000000 ] - [ -0.0000966800000000, 0.0007014300000000, -0.0001271400000000 ] - [ -0.0010292000000000, 0.0004322500000000, -0.0012340800000000 ] - [ -0.0006927300000000, 0.0002271100000000, -0.0003628500000000 ] - [ -0.0007551500000000, -0.0006410200000000, -0.0006045900000000 ] - [ 0.0002012000000000, -0.0001846200000000, 0.0002283200000000 ] - [ 0.0015232800000000, 0.0003178200000000, -0.0000382200000000 ] - [ -0.0009583800000000, -0.0002718400000000, -0.0000597500000000 ] - [ -0.0002684800000000, -0.0002428800000000, 0.0002271200000000 ] - [ -0.0006785500000000, -0.0001774000000000, -0.0000346500000000 ] - [ -0.0000868900000000, 0.0000291600000000, -0.0003323500000000 ] - [ -0.0004465500000000, 0.0002076200000000, 0.0000273500000000 ] - [ 0.0006233800000000, 0.0006427200000000, 0.0001895500000000 ] - [ 0.0003178600000000, 0.0001404600000000, -0.0001916800000000 ] - [ -0.0003017900000000, -0.0008040400000000, 0.0002648700000000 ] - [ 0.0018698000000000, 0.0013871000000000, 0.0021713800000000 ] - [ -0.0030822900000000, -0.0034056200000000, 0.0036191000000000 ] - [ 0.0000716900000000, -0.0004172900000000, -0.0003783400000000 ] - [ 0.0001073600000000, -0.0001560900000000, -0.0007101400000000 ] - [ 0.0000355300000000, 0.0001137400000000, -0.0002063600000000 ] - [ 0.0003154300000000, -0.0002164100000000, -0.0003223000000000 ] - [ -0.0009090500000000, 0.0003463700000000, -0.0001454600000000 ] - [ -0.0002295900000000, -0.0000499100000000, 0.0001334600000000 ] - [ -0.0001337400000000, 0.0002291100000000, 0.0002331400000000 ] - [ -0.0019243200000000, -0.0012447000000000, 0.0000890500000000 ] - [ 0.0003499700000000, -0.0000306200000000, 0.0003029100000000 ] - [ 0.0000656200000000, -0.0003548800000000, -0.0006435700000000 ] - [ 0.0003925300000000, -0.0000587800000000, -0.0001319200000000 ] - [ -0.0000808100000000, -0.0001476500000000, -0.0005746000000000 ] - [ -0.0012353500000000, -0.0000522800000000, 0.0000215100000000 ] - [ -0.0008856700000000, 0.0004988700000000, 0.0008876500000000 ] - [ 0.0116825400000000, -0.0016660200000000, -0.0186176500000000 ] - [ -0.0471783200000000, 0.0300310600000000, -0.0225256800000000 ] - [ -0.0006106800000000, -0.0000966500000000, -0.0003636400000000 ] - [ -0.0000805500000000, 0.0001030600000000, 0.0007522900000000 ] - [ 0.0010028800000000, 0.0001890000000000, -0.0004624300000000 ] - [ 0.0001922600000000, 0.0001200800000000, 0.0001431800000000 ] - [ 0.0006807800000000, -0.0000868700000000, -0.0001180300000000 ] - [ -0.0003769800000000, 0.0003684500000000, 0.0001183000000000 ] - [ 0.0001902100000000, -0.0000280600000000, -0.0003035200000000 ] - [ -0.0001983400000000, 0.0002086400000000, -0.0001644600000000 ] - [ -0.0003011500000000, 0.0016372500000000, 0.0001762100000000 ] - [ -0.0002325400000000, -0.0000710700000000, -0.0000626200000000 ] - [ -0.0018359500000000, 0.0021506300000000, -0.0011045900000000 ]- atom: 86 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001853700000000, 0.0009593400000000, 0.0003236000000000 ] - [ -0.0000878300000000, -0.0000240800000000, -0.0001443100000000 ] - [ 0.0002946300000000, -0.0002743200000000, -0.0000346000000000 ] - [ -0.0000562100000000, -0.0002322900000000, 0.0005496200000000 ] - [ -0.0000145900000000, -0.0009227500000000, -0.0000392700000000 ] - [ -0.0000886200000000, -0.0003850500000000, -0.0000962200000000 ] - [ -0.0001663300000000, -0.0003354000000000, -0.0001144600000000 ] - [ 0.0002929300000000, -0.0003776600000000, -0.0001626100000000 ] - [ -0.0011030700000000, -0.0011653100000000, -0.0005473800000000 ] - [ -0.0000706000000000, -0.0003855900000000, 0.0001220600000000 ] - [ 0.0012860300000000, 0.0021758200000000, -0.0004690300000000 ] - [ 0.0000551000000000, 0.0001234700000000, 0.0000962300000000 ] - [ 0.0006152500000000, 0.0002217000000000, -0.0001955500000000 ] - [ 0.0000585900000000, 0.0003623100000000, -0.0000883200000000 ] - [ -0.0000015100000000, -0.0003790900000000, -0.0001157400000000 ] - [ 0.0022251700000000, 0.0042252800000000, 0.0005629500000000 ] - [ -0.0000337900000000, -0.0006003100000000, -0.0000264100000000 ] - [ -0.0003946500000000, -0.0006477900000000, -0.0000532600000000 ] - [ -0.0004265300000000, 0.0002994000000000, -0.0001761500000000 ] - [ 0.0003622700000000, 0.0002736300000000, 0.0000617500000000 ] - [ 0.0004913200000000, -0.0008370500000000, 0.0018129000000000 ] - [ -0.0000291700000000, 0.0000804700000000, -0.0001655500000000 ] - [ -0.0002885400000000, -0.0001787000000000, 0.0000798300000000 ] - [ 0.0001300900000000, 0.0001405300000000, 0.0002280100000000 ] - [ -0.0000740200000000, 0.0010475600000000, -0.0008906400000000 ] - [ 0.0005339000000000, 0.0009855500000000, 0.0001762800000000 ] - [ -0.0002340300000000, -0.0010942800000000, 0.0002729800000000 ] - [ -0.0002152300000000, -0.0010243700000000, -0.0004836600000000 ] - [ 0.0008012600000000, -0.0013350500000000, -0.0007663200000000 ] - [ 0.0004369800000000, -0.0002272700000000, -0.0014771900000000 ] - [ -0.0001499400000000, 0.0000879600000000, 0.0010917100000000 ] - [ 0.0000797200000000, -0.0001530900000000, 0.0004984200000000 ] - [ 0.0051033600000000, -0.0014537200000000, -0.0028392000000000 ] - [ -0.0011214000000000, -0.0019033600000000, -0.0011862200000000 ] - [ 0.0002223300000000, 0.0020378000000000, -0.0001652300000000 ] - [ 0.0011220900000000, 0.0106581600000000, 0.0029601900000000 ] - [ 0.0000308200000000, -0.0012546100000000, 0.0000285900000000 ] - [ 0.0003027400000000, 0.0000729100000000, 0.0009526400000000 ] - [ -0.0000981400000000, -0.0010791100000000, -0.0001278800000000 ] - [ 0.0001128000000000, 0.0005974000000000, -0.0000777700000000 ] - [ -0.0002347700000000, 0.0003494900000000, -0.0004368500000000 ] - [ -0.0009744100000000, -0.0010736600000000, 0.0015007100000000 ] - [ 0.0000349300000000, -0.0012545200000000, 0.0001132600000000 ] - [ -0.0012973600000000, 0.0018638700000000, -0.0017187400000000 ] - [ 0.0000795100000000, -0.0009862100000000, -0.0003214200000000 ] - [ 0.0002870800000000, -0.0004420500000000, -0.0001593400000000 ] - [ 0.0011910400000000, -0.0016951400000000, 0.0018478200000000 ] - [ -0.0000987700000000, -0.0014860000000000, 0.0004629400000000 ] - [ -0.0037055900000000, 0.0032753300000000, -0.0007020400000000 ] - [ 0.0001178600000000, 0.0013028900000000, 0.0002331200000000 ] - [ 0.0000039600000000, -0.0001742500000000, -0.0000829700000000 ] - [ 0.0004808900000000, -0.0004033000000000, 0.0001488200000000 ] - [ 0.0002015800000000, -0.0001486500000000, -0.0002660200000000 ] - [ -0.0005930600000000, 0.0007570800000000, 0.0003619800000000 ] - [ 0.0000429500000000, -0.0010959800000000, -0.0000343200000000 ] - [ -0.0003207900000000, 0.0000796600000000, -0.0001435100000000 ] - [ 0.0000984300000000, -0.0005806900000000, -0.0001226200000000 ] - [ 0.0001519800000000, 0.0006184900000000, -0.0006662300000000 ] - [ -0.0000484600000000, -0.0004112200000000, -0.0001049800000000 ] - [ 0.0005986700000000, -0.0000384100000000, 0.0000537700000000 ] - [ 0.0008605100000000, -0.0007964300000000, -0.0012116400000000 ] - [ 0.0002158900000000, 0.0001703400000000, -0.0001869600000000 ] - [ 0.0034045100000000, 0.0030734000000000, 0.0007082500000000 ] - [ -0.0001490400000000, -0.0009445600000000, -0.0000817700000000 ] - [ -0.0001441500000000, 0.0001950400000000, -0.0005563700000000 ] - [ 0.0003240000000000, -0.0002696900000000, 0.0003448800000000 ] - [ 0.0000616200000000, -0.0003516300000000, -0.0000710800000000 ] - [ -0.0006451700000000, 0.0001334700000000, -0.0007770300000000 ] - [ -0.0004563100000000, 0.0002971700000000, -0.0003223500000000 ] - [ 0.0010415100000000, 0.0025020400000000, -0.0000449600000000 ] - [ -0.0004779500000000, -0.0002969700000000, 0.0004323000000000 ] - [ 0.0001429800000000, -0.0002303200000000, 0.0000988400000000 ] - [ -0.0004158600000000, -0.0008846900000000, 0.0005250000000000 ] - [ -0.0000763500000000, -0.0004423500000000, 0.0009061900000000 ] - [ -0.0231741600000000, 0.0585854400000000, -0.0263852100000000 ] - [ -0.0002746700000000, -0.0008896500000000, 0.0007753000000000 ] - [ 0.0019773400000000, -0.0032060600000000, -0.0007580900000000 ] - [ 0.0000194500000000, -0.0007303300000000, -0.0000763700000000 ] - [ -0.0000289800000000, -0.0014715700000000, 0.0001094500000000 ] - [ -0.0005504500000000, 0.0003043400000000, -0.0001455700000000 ] - [ 0.0002882600000000, 0.0008110000000000, -0.0000783500000000 ] - [ -0.0001158000000000, 0.0003502000000000, 0.0005031600000000 ] - [ -0.0014618700000000, -0.0015548900000000, -0.0001981000000000 ] - [ -0.0001788400000000, 0.0008784600000000, -0.0001716100000000 ] - [ 0.0001178600000000, 0.0000311400000000, 0.0004845100000000 ] - [ 0.0397988000000000, -0.0550630400000000, 0.0221636600000000 ] - [ 0.0006950700000000, 0.0004484400000000, -0.0009057400000000 ] - [ 0.0001300000000000, -0.0006308800000000, 0.0001466100000000 ] - [ 0.0000175800000000, 0.0007400100000000, 0.0000375400000000 ] - [ 0.0002241400000000, 0.0003463600000000, 0.0000961900000000 ] - [ 0.0001809600000000, 0.0005299300000000, 0.0001109600000000 ] - [ -0.0000851400000000, 0.0009924400000000, 0.0001544800000000 ] - [ -0.0008251900000000, 0.0003388500000000, 0.0010001500000000 ] - [ 0.0001313400000000, 0.0004126700000000, -0.0003243000000000 ] - [ -0.0000743200000000, -0.0001906400000000, 0.0003529900000000 ] - [ 0.0001079400000000, -0.0000593500000000, -0.0001948700000000 ] - [ 0.0004009200000000, 0.0000945300000000, 0.0001167900000000 ] - [ 0.0001649200000000, -0.0009448700000000, -0.0002342500000000 ] - [ -0.0001445500000000, 0.0003129100000000, 0.0001294000000000 ] - [ -0.0002936800000000, 0.0007827300000000, -0.0000097200000000 ] - [ -0.0007572100000000, 0.0013657600000000, -0.0002656900000000 ] - [ -0.0003339500000000, 0.0003571000000000, -0.0002631400000000 ] - [ -0.0002439200000000, -0.0012432500000000, -0.0001357300000000 ] - [ -0.0004471400000000, -0.0015155000000000, 0.0003975400000000 ] - [ -0.0009985900000000, -0.0012726900000000, -0.0003222500000000 ] - [ -0.0010800400000000, 0.0007660300000000, 0.0006661500000000 ] - [ -0.0002021900000000, 0.0003543400000000, -0.0000796600000000 ] - [ 0.0001533100000000, 0.0007000500000000, -0.0004477200000000 ] - [ -0.0001622100000000, 0.0004929900000000, -0.0000202200000000 ] - [ -0.0002181500000000, 0.0007007200000000, 0.0004715500000000 ] - [ -0.0000907500000000, 0.0003814200000000, -0.0003217600000000 ] - [ 0.0005188200000000, -0.0001995600000000, 0.0004009000000000 ] - [ -0.0006267800000000, -0.0014025600000000, 0.0000577400000000 ] - [ 0.0004082000000000, -0.0029187400000000, 0.0014520700000000 ] - [ -0.0009469400000000, 0.0006619900000000, 0.0015159800000000 ] - [ -0.0000239800000000, -0.0001300900000000, 0.0000731900000000 ] - [ 0.0004766800000000, 0.0005708300000000, 0.0001386200000000 ] - [ -0.0003566500000000, -0.0029409500000000, 0.0004234300000000 ] - [ 0.0000662000000000, 0.0004741300000000, -0.0000050400000000 ] - [ -0.0000136700000000, -0.0001252700000000, 0.0002538400000000 ] - [ -0.0000322800000000, 0.0003784000000000, 0.0002432300000000 ] - [ 0.0003792900000000, 0.0029206100000000, 0.0054194900000000 ] - [ -0.0001398700000000, 0.0001890300000000, -0.0003793700000000 ] - [ 0.0000755300000000, 0.0005715400000000, 0.0000075800000000 ] - [ -0.0008125200000000, -0.0002510500000000, 0.0005964200000000 ] - [ 0.0010358500000000, 0.0009372600000000, -0.0002299900000000 ] - [ -0.0000736600000000, 0.0003037600000000, -0.0006130300000000 ] - [ 0.0000341600000000, -0.0006041100000000, 0.0002754900000000 ] - [ 0.0006009900000000, 0.0004872700000000, 0.0001432400000000 ] - [ 0.0002160900000000, -0.0002646500000000, -0.0003538400000000 ] - [ -0.0002222600000000, 0.0003794000000000, -0.0008413300000000 ] - [ -0.0006040500000000, -0.0009216400000000, 0.0001324500000000 ] - [ -0.0023246300000000, -0.0008667000000000, -0.0043641600000000 ] - [ 0.0000772600000000, 0.0013587900000000, -0.0001679300000000 ] - [ 0.0003193300000000, -0.0006626100000000, -0.0000434500000000 ] - [ -0.0001431500000000, -0.0000867400000000, -0.0002237900000000 ] - [ 0.0009442300000000, -0.0000168400000000, 0.0006867300000000 ] - [ 0.0003714700000000, 0.0000862200000000, -0.0007297200000000 ] - [ -0.0002850300000000, 0.0023246300000000, -0.0002440700000000 ] - [ -0.0001214100000000, 0.0003726300000000, -0.0000936800000000 ] - [ -0.0002604800000000, 0.0002731000000000, 0.0001951900000000 ] - [ 0.0001414500000000, 0.0004705000000000, 0.0001222800000000 ] - [ 0.0000244200000000, 0.0009102500000000, -0.0002360700000000 ] - [ -0.0004176600000000, 0.0003626400000000, 0.0001193000000000 ] - [ 0.0000443400000000, 0.0017505700000000, -0.0003748700000000 ] - [ 0.0004791300000000, 0.0004492800000000, -0.0002507400000000 ] - [ 0.0006438800000000, -0.0001500200000000, 0.0009286600000000 ] - [ -0.0016362300000000, 0.0003060300000000, 0.0014679000000000 ] - [ 0.0051304900000000, -0.0007235900000000, -0.0036063000000000 ] - [ 0.0005059600000000, 0.0001673300000000, 0.0009859500000000 ] - [ 0.0001510600000000, 0.0001970900000000, 0.0000560800000000 ] - [ 0.0001994600000000, 0.0006086900000000, -0.0004324500000000 ] - [ 0.0002937700000000, -0.0001793600000000, -0.0002763200000000 ] - [ 0.0001628200000000, 0.0000482200000000, -0.0003779400000000 ] - [ -0.0000213500000000, 0.0002226600000000, 0.0000107200000000 ] - [ -0.0000984400000000, 0.0005866400000000, 0.0002974000000000 ] - [ 0.0017777400000000, -0.0010668300000000, 0.0002527500000000 ] - [ 0.0002490100000000, 0.0000215500000000, 0.0001833300000000 ] - [ 0.0001262800000000, -0.0003491800000000, -0.0004171900000000 ] - [ 0.0003779900000000, 0.0007017800000000, -0.0001615400000000 ] - [ 0.0000386600000000, -0.0003912000000000, -0.0001440400000000 ] - [ -0.0000478100000000, -0.0006033700000000, 0.0004733200000000 ] - [ -0.0007624100000000, -0.0000399600000000, 0.0005351800000000 ] - [ 0.0033988700000000, -0.0153957700000000, 0.0134802700000000 ] - [ -0.0301062800000000, -0.0038706500000000, -0.0106148200000000 ] - [ -0.0000769700000000, -0.0004627400000000, 0.0000340700000000 ] - [ -0.0002339600000000, 0.0001579800000000, 0.0010377600000000 ] - [ 0.0002296200000000, -0.0005760700000000, -0.0003646300000000 ] - [ 0.0001033500000000, 0.0007138900000000, 0.0000834100000000 ] - [ 0.0003137000000000, 0.0005010200000000, -0.0002106300000000 ] - [ -0.0005026600000000, 0.0007459700000000, 0.0001674800000000 ] - [ 0.0001123400000000, 0.0003348900000000, -0.0002496400000000 ] - [ -0.0002355800000000, 0.0009617300000000, -0.0002656900000000 ] - [ -0.0006039900000000, 0.0008251300000000, -0.0005129000000000 ] - [ -0.0001227900000000, 0.0000429400000000, -0.0001539300000000 ] - [ -0.0002607300000000, 0.0008281500000000, -0.0007918700000000 ]- atom: 86 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003610800000000, -0.0011868600000000, -0.0001401700000000 ] - [ -0.0000401100000000, 0.0004646100000000, 0.0000877900000000 ] - [ 0.0003219800000000, 0.0002645900000000, -0.0001123100000000 ] - [ 0.0001501700000000, -0.0004359600000000, -0.0002730100000000 ] - [ -0.0000756200000000, 0.0002584200000000, -0.0002389200000000 ] - [ -0.0001014100000000, 0.0001718500000000, -0.0000892700000000 ] - [ -0.0000258700000000, 0.0005490300000000, -0.0000701000000000 ] - [ 0.0005758000000000, 0.0007164900000000, 0.0003841800000000 ] - [ 0.0011166800000000, 0.0008967400000000, 0.0004022000000000 ] - [ 0.0000119500000000, 0.0004893600000000, -0.0000078600000000 ] - [ -0.0011555100000000, -0.0015390800000000, 0.0007233600000000 ] - [ 0.0000711600000000, -0.0005663200000000, -0.0000429000000000 ] - [ 0.0002509000000000, -0.0005548600000000, 0.0004111100000000 ] - [ -0.0000000400000000, -0.0002625700000000, -0.0000261900000000 ] - [ -0.0000565800000000, 0.0002754100000000, 0.0002278800000000 ] - [ -0.0026722000000000, -0.0041315800000000, -0.0004062500000000 ] - [ -0.0000936600000000, 0.0001615800000000, -0.0000284400000000 ] - [ -0.0004737400000000, 0.0003138000000000, -0.0001642000000000 ] - [ -0.0004413400000000, 0.0000385300000000, -0.0000420700000000 ] - [ -0.0002373400000000, 0.0001650200000000, -0.0000059600000000 ] - [ 0.0001386900000000, 0.0008535100000000, -0.0019492700000000 ] - [ -0.0000630100000000, 0.0005845900000000, -0.0001141200000000 ] - [ -0.0003280700000000, 0.0001877500000000, 0.0000656700000000 ] - [ 0.0000586900000000, 0.0000716600000000, -0.0000451400000000 ] - [ 0.0006106400000000, -0.0013704800000000, 0.0017254800000000 ] - [ -0.0004638800000000, -0.0014650600000000, 0.0001210200000000 ] - [ -0.0001376900000000, 0.0000651200000000, 0.0003897700000000 ] - [ -0.0003089900000000, 0.0007073600000000, -0.0004344600000000 ] - [ -0.0008666700000000, 0.0018108900000000, 0.0004812000000000 ] - [ -0.0002500400000000, 0.0005344300000000, 0.0006160600000000 ] - [ -0.0000347900000000, 0.0002324700000000, -0.0002156100000000 ] - [ 0.0000359600000000, 0.0005351900000000, -0.0004134100000000 ] - [ -0.0055272600000000, 0.0025154900000000, 0.0035476100000000 ] - [ 0.0005945100000000, 0.0022157000000000, 0.0002618400000000 ] - [ -0.0003503200000000, -0.0024165800000000, 0.0000722500000000 ] - [ -0.0009035900000000, -0.0110179400000000, -0.0040589700000000 ] - [ 0.0003690800000000, 0.0014445900000000, -0.0001152900000000 ] - [ 0.0000550700000000, -0.0010944800000000, -0.0016094100000000 ] - [ 0.0000284600000000, 0.0006082800000000, -0.0001586200000000 ] - [ 0.0002857100000000, -0.0007700000000000, -0.0000161300000000 ] - [ 0.0001128100000000, 0.0000142600000000, 0.0003552400000000 ] - [ 0.0015064300000000, 0.0013898100000000, -0.0005930000000000 ] - [ 0.0000810700000000, 0.0008821100000000, -0.0000270400000000 ] - [ 0.0008961700000000, -0.0016729600000000, 0.0017866800000000 ] - [ -0.0004788000000000, 0.0008039500000000, 0.0004128600000000 ] - [ 0.0000837200000000, 0.0014684500000000, -0.0005077900000000 ] - [ -0.0011300700000000, 0.0021787200000000, -0.0015780900000000 ] - [ -0.0000867300000000, 0.0011756400000000, 0.0004069700000000 ] - [ 0.0033920300000000, -0.0037672700000000, 0.0006534500000000 ] - [ -0.0000404500000000, -0.0008991100000000, -0.0000630300000000 ] - [ 0.0004474900000000, 0.0002436500000000, -0.0006126300000000 ] - [ -0.0001882800000000, 0.0002710900000000, 0.0003968000000000 ] - [ 0.0002179800000000, 0.0008099700000000, 0.0000270200000000 ] - [ 0.0001597400000000, -0.0000857500000000, -0.0001256500000000 ] - [ 0.0002726800000000, 0.0006199100000000, 0.0000878700000000 ] - [ 0.0006147700000000, -0.0008643200000000, -0.0003220900000000 ] - [ -0.0000652100000000, 0.0011951100000000, -0.0000936500000000 ] - [ 0.0002574800000000, -0.0012800400000000, 0.0004267800000000 ] - [ -0.0000229800000000, 0.0008083000000000, -0.0000629800000000 ] - [ -0.0006338000000000, -0.0005800600000000, 0.0001632200000000 ] - [ -0.0011612400000000, 0.0009358400000000, 0.0006797400000000 ] - [ 0.0000793400000000, -0.0000357500000000, 0.0007282300000000 ] - [ -0.0034509300000000, -0.0024696100000000, -0.0004974600000000 ] - [ -0.0002722100000000, 0.0002837100000000, 0.0003212300000000 ] - [ -0.0001333700000000, -0.0003232800000000, 0.0000232600000000 ] - [ -0.0000715300000000, 0.0000080300000000, -0.0004919400000000 ] - [ -0.0003157900000000, 0.0006123500000000, 0.0002128700000000 ] - [ 0.0009531300000000, 0.0006461700000000, 0.0003304500000000 ] - [ 0.0001520300000000, 0.0004842400000000, 0.0007740800000000 ] - [ -0.0007948800000000, -0.0022470600000000, -0.0000909500000000 ] - [ 0.0000287600000000, 0.0002283200000000, 0.0002603400000000 ] - [ 0.0001708000000000, 0.0007097300000000, -0.0000449800000000 ] - [ 0.0001161500000000, 0.0001053400000000, -0.0000699600000000 ] - [ -0.0003738200000000, 0.0005066700000000, -0.0002055200000000 ] - [ 0.0242530100000000, -0.0593000000000000, 0.0263968200000000 ] - [ 0.0000256900000000, 0.0006396600000000, -0.0006333800000000 ] - [ -0.0020236800000000, 0.0027958100000000, 0.0005844400000000 ] - [ 0.0000143500000000, 0.0001220500000000, -0.0001397400000000 ] - [ 0.0001009600000000, 0.0010819200000000, 0.0000584800000000 ] - [ 0.0002352600000000, 0.0001565000000000, 0.0000913900000000 ] - [ 0.0001861000000000, -0.0000109300000000, 0.0001425700000000 ] - [ -0.0000160100000000, -0.0003704600000000, 0.0003260700000000 ] - [ 0.0009246100000000, 0.0013866900000000, 0.0006707700000000 ] - [ -0.0000914000000000, -0.0001041600000000, -0.0000712300000000 ] - [ -0.0000483700000000, -0.0001435300000000, 0.0001789900000000 ] - [ -0.0401585600000000, 0.0560307700000000, -0.0227093500000000 ] - [ -0.0001991600000000, -0.0005528200000000, 0.0006443200000000 ] - [ -0.0006879100000000, 0.0007155400000000, -0.0003471600000000 ] - [ -0.0004074800000000, -0.0008047100000000, 0.0003731100000000 ] - [ 0.0002491200000000, -0.0011487900000000, -0.0000303000000000 ] - [ 0.0000476600000000, -0.0003932200000000, 0.0001672100000000 ] - [ -0.0001928600000000, 0.0000902100000000, 0.0001938200000000 ] - [ 0.0003710700000000, 0.0001731200000000, -0.0002020500000000 ] - [ 0.0004394100000000, -0.0004410000000000, 0.0009027700000000 ] - [ -0.0000768200000000, -0.0009871400000000, -0.0000167900000000 ] - [ 0.0001109900000000, -0.0010671300000000, -0.0001731700000000 ] - [ -0.0001264700000000, 0.0007013900000000, 0.0001337200000000 ] - [ -0.0000107500000000, -0.0002428500000000, -0.0001021800000000 ] - [ -0.0002470100000000, -0.0002461700000000, 0.0002854900000000 ] - [ -0.0000938900000000, 0.0000830600000000, -0.0000494600000000 ] - [ 0.0008977700000000, -0.0013589700000000, -0.0005688200000000 ] - [ -0.0002368400000000, -0.0003298700000000, -0.0003084000000000 ] - [ 0.0008186100000000, 0.0012724900000000, 0.0007008100000000 ] - [ 0.0002135700000000, 0.0003832300000000, -0.0000265700000000 ] - [ 0.0012791800000000, 0.0001909700000000, -0.0000233700000000 ] - [ 0.0008486000000000, -0.0006799900000000, -0.0004778900000000 ] - [ -0.0002826600000000, -0.0002843000000000, -0.0001339600000000 ] - [ 0.0003275900000000, -0.0001909600000000, -0.0003878600000000 ] - [ 0.0003995200000000, -0.0005851900000000, -0.0001743500000000 ] - [ -0.0001142000000000, -0.0001584900000000, 0.0001152700000000 ] - [ -0.0002444500000000, -0.0009320500000000, 0.0009108000000000 ] - [ 0.0000517700000000, 0.0001064100000000, -0.0001895800000000 ] - [ 0.0009642200000000, 0.0019469700000000, -0.0006448800000000 ] - [ -0.0003344500000000, 0.0030561700000000, -0.0007976200000000 ] - [ 0.0004739900000000, -0.0011772900000000, -0.0006941200000000 ] - [ 0.0002573900000000, 0.0002151500000000, -0.0002647400000000 ] - [ 0.0000892200000000, -0.0004821900000000, 0.0000668300000000 ] - [ 0.0006828600000000, 0.0030861300000000, -0.0000833200000000 ] - [ -0.0003367000000000, -0.0012512900000000, -0.0002377400000000 ] - [ 0.0003406500000000, -0.0000109100000000, 0.0000767200000000 ] - [ -0.0004451400000000, 0.0004374900000000, -0.0003072900000000 ] - [ -0.0006503600000000, -0.0031332400000000, -0.0050268700000000 ] - [ -0.0001870300000000, -0.0003347500000000, 0.0000474900000000 ] - [ 0.0001429200000000, -0.0002428300000000, 0.0001091900000000 ] - [ 0.0004322000000000, -0.0006195500000000, -0.0006619400000000 ] - [ -0.0012818300000000, -0.0010829900000000, -0.0000500800000000 ] - [ 0.0000066100000000, -0.0004296100000000, -0.0000504400000000 ] - [ -0.0002623800000000, 0.0007352200000000, -0.0005384000000000 ] - [ 0.0003423100000000, -0.0003449800000000, -0.0000203500000000 ] - [ 0.0007454400000000, 0.0008468200000000, 0.0002191900000000 ] - [ -0.0002663100000000, -0.0004509600000000, 0.0006180500000000 ] - [ 0.0003557900000000, 0.0008214200000000, 0.0000552700000000 ] - [ 0.0021140200000000, 0.0005447100000000, 0.0042810800000000 ] - [ 0.0000745600000000, -0.0001835900000000, -0.0001710900000000 ] - [ -0.0012463000000000, 0.0007925600000000, -0.0000673800000000 ] - [ 0.0004241300000000, 0.0011788600000000, -0.0001249400000000 ] - [ 0.0000055500000000, -0.0001262500000000, -0.0005585600000000 ] - [ 0.0000202700000000, -0.0001516800000000, 0.0003177600000000 ] - [ 0.0004974400000000, -0.0011913400000000, -0.0001249600000000 ] - [ -0.0008174900000000, -0.0005130300000000, -0.0000277100000000 ] - [ -0.0000161400000000, -0.0013617300000000, 0.0001533800000000 ] - [ -0.0007104300000000, -0.0005616900000000, -0.0003332500000000 ] - [ -0.0000923500000000, -0.0007867800000000, -0.0004268100000000 ] - [ -0.0001346300000000, -0.0001898300000000, 0.0003563800000000 ] - [ -0.0002657500000000, -0.0006325100000000, 0.0007494600000000 ] - [ 0.0000079500000000, -0.0003445800000000, -0.0000003700000000 ] - [ -0.0008835700000000, 0.0000198100000000, -0.0005147600000000 ] - [ 0.0006527600000000, -0.0008978600000000, -0.0013360700000000 ] - [ -0.0056282900000000, -0.0000621700000000, 0.0035674800000000 ] - [ -0.0002750500000000, -0.0003049400000000, -0.0006996300000000 ] - [ 0.0000812000000000, -0.0003307900000000, -0.0004765700000000 ] - [ 0.0000328200000000, -0.0004770200000000, 0.0000085400000000 ] - [ 0.0001878600000000, -0.0003330800000000, -0.0005578300000000 ] - [ 0.0002327600000000, 0.0008163300000000, 0.0004359700000000 ] - [ -0.0004674900000000, -0.0003289100000000, 0.0002435800000000 ] - [ -0.0001788100000000, -0.0003484000000000, 0.0000331400000000 ] - [ -0.0015109800000000, 0.0002936900000000, -0.0000099200000000 ] - [ 0.0002390600000000, -0.0000899900000000, 0.0000347700000000 ] - [ 0.0002062600000000, -0.0001895100000000, -0.0001646900000000 ] - [ -0.0001031000000000, -0.0009447200000000, -0.0001694500000000 ] - [ 0.0000892500000000, 0.0003748500000000, -0.0006968100000000 ] - [ -0.0000994200000000, 0.0017806900000000, -0.0001318700000000 ] - [ 0.0005473100000000, 0.0003752700000000, -0.0006566400000000 ] - [ -0.0029130700000000, 0.0155729900000000, -0.0136017100000000 ] - [ 0.0295634000000000, 0.0037458600000000, 0.0108545900000000 ] - [ -0.0001542600000000, 0.0006021900000000, 0.0004001100000000 ] - [ 0.0001010700000000, -0.0001406400000000, -0.0002051500000000 ] - [ 0.0000405900000000, 0.0008069700000000, 0.0000351800000000 ] - [ 0.0001143600000000, -0.0010483900000000, 0.0000335600000000 ] - [ 0.0006512500000000, -0.0010916200000000, 0.0000801800000000 ] - [ -0.0004608500000000, -0.0001605700000000, -0.0000368600000000 ] - [ 0.0004410700000000, -0.0005074900000000, -0.0002220400000000 ] - [ -0.0000895600000000, -0.0008261000000000, -0.0000658900000000 ] - [ 0.0000305800000000, -0.0008607500000000, -0.0000661300000000 ] - [ 0.0005116000000000, -0.0009111100000000, 0.0002152700000000 ] - [ 0.0008234400000000, -0.0006663700000000, 0.0003207600000000 ]- atom: 86 displacement: [ -0.0035230240541542, 0.0000000000000000, 0.0093588621911988 ] forces: - [ -0.0021647500000000, -0.0006982600000000, 0.0001397200000000 ] - [ -0.0001270400000000, 0.0001185000000000, -0.0001663600000000 ] - [ 0.0003592400000000, 0.0001214000000000, -0.0002023300000000 ] - [ 0.0000956300000000, 0.0008495700000000, -0.0009986900000000 ] - [ -0.0000492900000000, -0.0002357000000000, 0.0002963500000000 ] - [ -0.0001324200000000, -0.0001262700000000, -0.0002737200000000 ] - [ -0.0000683300000000, 0.0002042600000000, 0.0002471100000000 ] - [ 0.0003278400000000, -0.0002077400000000, 0.0002822500000000 ] - [ -0.0010253300000000, -0.0015632500000000, 0.0037860500000000 ] - [ -0.0000324300000000, 0.0001557100000000, 0.0001976700000000 ] - [ 0.0023496100000000, -0.0011095200000000, 0.0017132700000000 ] - [ -0.0007548100000000, 0.0000437300000000, -0.0013687500000000 ] - [ 0.0016175800000000, -0.0008686600000000, -0.0004622300000000 ] - [ 0.0010388800000000, 0.0003260200000000, -0.0016121900000000 ] - [ 0.0000428600000000, -0.0002967800000000, -0.0002167800000000 ] - [ -0.0018471500000000, -0.0004480800000000, 0.0031833000000000 ] - [ -0.0000632900000000, -0.0001590700000000, 0.0000716100000000 ] - [ -0.0004476300000000, -0.0002051300000000, 0.0001727300000000 ] - [ -0.0003656400000000, -0.0002733300000000, -0.0011387800000000 ] - [ 0.0002908300000000, 0.0001640600000000, 0.0008982800000000 ] - [ -0.0004109600000000, 0.0027764100000000, -0.0007782100000000 ] - [ -0.0000020200000000, 0.0003140000000000, -0.0003298600000000 ] - [ -0.0002742900000000, 0.0000339700000000, -0.0002544300000000 ] - [ -0.0000041700000000, 0.0004081400000000, -0.0004240200000000 ] - [ 0.0010728600000000, 0.0005075200000000, -0.0167053000000000 ] - [ 0.0018015500000000, -0.0002546700000000, -0.0040318300000000 ] - [ -0.0001861800000000, -0.0010806300000000, -0.0007760600000000 ] - [ -0.0002271000000000, -0.0001182400000000, -0.0007412600000000 ] - [ 0.0013762200000000, -0.0011495500000000, 0.0005556700000000 ] - [ 0.0009683700000000, -0.0015086800000000, -0.0016127000000000 ] - [ 0.0003468600000000, 0.0015363500000000, -0.0006059700000000 ] - [ -0.0001981300000000, 0.0008740900000000, -0.0005821100000000 ] - [ -0.0012816400000000, 0.0020341400000000, 0.0061782900000000 ] - [ -0.0016575300000000, -0.0017470600000000, 0.0006487200000000 ] - [ -0.0012768600000000, -0.0009294300000000, 0.0015720500000000 ] - [ -0.0055712800000000, 0.0027327900000000, 0.0375859400000000 ] - [ 0.0002852200000000, 0.0001613300000000, 0.0007668900000000 ] - [ 0.0006361100000000, 0.0006246300000000, -0.0003186800000000 ] - [ -0.0000677500000000, -0.0001811300000000, -0.0002285900000000 ] - [ -0.0003182900000000, 0.0012817400000000, -0.0027834200000000 ] - [ -0.0013116200000000, -0.0013061000000000, -0.0008410900000000 ] - [ 0.0012878700000000, 0.0036995200000000, 0.0008092300000000 ] - [ 0.0000186200000000, -0.0002183700000000, 0.0002075600000000 ] - [ -0.0044406200000000, -0.0027249200000000, -0.0017663700000000 ] - [ -0.0000283100000000, -0.0006689500000000, 0.0002857500000000 ] - [ 0.0000046000000000, 0.0010031800000000, -0.0007532900000000 ] - [ -0.0010944100000000, 0.0042621300000000, 0.0021523200000000 ] - [ -0.0000642200000000, -0.0000369100000000, 0.0007085600000000 ] - [ 0.0057271900000000, -0.0028138800000000, 0.0006103700000000 ] - [ 0.0015680900000000, 0.0021925000000000, -0.0005407700000000 ] - [ 0.0004483000000000, 0.0005410200000000, -0.0018987100000000 ] - [ 0.0001573400000000, -0.0000328300000000, 0.0006826700000000 ] - [ 0.0002142500000000, -0.0000314900000000, -0.0003317900000000 ] - [ -0.0025433600000000, 0.0022708700000000, -0.0004088300000000 ] - [ 0.0000622700000000, -0.0003923100000000, 0.0000426900000000 ] - [ -0.0014659100000000, -0.0011031000000000, -0.0029295000000000 ] - [ 0.0001045800000000, 0.0001679300000000, -0.0000992000000000 ] - [ -0.0001259900000000, -0.0010306200000000, 0.0004653500000000 ] - [ 0.0000179500000000, 0.0000006800000000, -0.0001129800000000 ] - [ 0.0007278700000000, -0.0010394600000000, 0.0000145200000000 ] - [ 0.0007973100000000, -0.0004802500000000, 0.0014189300000000 ] - [ 0.0004299400000000, 0.0002613200000000, -0.0007739200000000 ] - [ -0.0062127100000000, 0.0012938100000000, 0.0006831200000000 ] - [ -0.0002530000000000, 0.0001516000000000, 0.0003768700000000 ] - [ -0.0027582500000000, -0.0001439400000000, -0.0077229500000000 ] - [ -0.0002438500000000, -0.0000926800000000, -0.0013684900000000 ] - [ -0.0002142800000000, 0.0001332800000000, -0.0003122500000000 ] - [ 0.0001832500000000, -0.0005090600000000, 0.0013574100000000 ] - [ -0.0006528600000000, -0.0000024400000000, -0.0009757000000000 ] - [ 0.0008480800000000, 0.0001525200000000, 0.0016613600000000 ] - [ -0.0001743800000000, 0.0000782500000000, -0.0000372200000000 ] - [ 0.0001881400000000, 0.0005426600000000, -0.0000554800000000 ] - [ -0.0001106800000000, -0.0005174500000000, 0.0005363400000000 ] - [ -0.0004415100000000, 0.0008856200000000, 0.0016539200000000 ] - [ 0.0362154300000000, -0.0134626600000000, 0.1164748200000000 ] - [ 0.0001677200000000, 0.0005394800000000, 0.0009028900000000 ] - [ 0.0018681700000000, -0.0041345200000000, 0.0002098100000000 ] - [ 0.0000104900000000, 0.0001804100000000, -0.0001435800000000 ] - [ 0.0000866700000000, 0.0008281900000000, 0.0001603100000000 ] - [ -0.0002220800000000, -0.0022311100000000, -0.0004531600000000 ] - [ 0.0001462500000000, 0.0001549000000000, 0.0001029500000000 ] - [ -0.0000427900000000, -0.0000296900000000, 0.0000832500000000 ] - [ -0.0005968600000000, -0.0004647700000000, -0.0007667800000000 ] - [ -0.0001749200000000, 0.0001570600000000, -0.0000248600000000 ] - [ 0.0004055800000000, 0.0018644100000000, 0.0007670100000000 ] - [ -0.0601169700000000, 0.0067906000000000, -0.2200764600000000 ] - [ 0.0003506300000000, -0.0008945900000000, -0.0005115300000000 ] - [ 0.0014839500000000, -0.0001447000000000, 0.0016465300000000 ] - [ 0.0001055600000000, -0.0003362400000000, -0.0014136500000000 ] - [ 0.0002677900000000, -0.0000943500000000, 0.0000160100000000 ] - [ 0.0000465900000000, 0.0001889400000000, -0.0000473000000000 ] - [ -0.0000442300000000, 0.0002732700000000, 0.0002303600000000 ] - [ -0.0057761400000000, -0.0009851300000000, 0.0125700800000000 ] - [ 0.0006606100000000, -0.0007813200000000, 0.0013630600000000 ] - [ -0.0000155900000000, -0.0000094200000000, 0.0001770000000000 ] - [ 0.0000874800000000, -0.0004102100000000, -0.0001473100000000 ] - [ 0.0014659000000000, 0.0030427400000000, 0.0018691700000000 ] - [ 0.0005995500000000, -0.0021866200000000, 0.0006342000000000 ] - [ -0.0002553300000000, 0.0000018500000000, 0.0006590900000000 ] - [ -0.0002630100000000, 0.0005615100000000, 0.0001510400000000 ] - [ 0.0000409400000000, 0.0002181600000000, -0.0028433500000000 ] - [ -0.0002520900000000, 0.0000472400000000, 0.0001095100000000 ] - [ -0.0011764200000000, -0.0003573100000000, 0.0001425600000000 ] - [ -0.0030512000000000, -0.0018718200000000, 0.0022126500000000 ] - [ 0.0031680900000000, -0.0023541100000000, -0.0011328500000000 ] - [ -0.0006407100000000, 0.0004353200000000, -0.0002996200000000 ] - [ -0.0002288200000000, 0.0000253600000000, 0.0001086900000000 ] - [ 0.0002310000000000, 0.0002514000000000, -0.0007562900000000 ] - [ 0.0001925000000000, -0.0000673900000000, -0.0004174700000000 ] - [ -0.0001599400000000, 0.0003608600000000, 0.0005007600000000 ] - [ -0.0001009500000000, -0.0005889500000000, 0.0000803900000000 ] - [ 0.0010357200000000, 0.0000716200000000, 0.0012077200000000 ] - [ -0.0009256000000000, 0.0006017100000000, -0.0027636800000000 ] - [ -0.0015556600000000, 0.0023058900000000, -0.0013496200000000 ] - [ -0.0008296700000000, 0.0013415000000000, -0.0002240500000000 ] - [ -0.0003260700000000, -0.0003121200000000, 0.0008624200000000 ] - [ 0.0001936200000000, 0.0001066400000000, -0.0001682300000000 ] - [ 0.0058054900000000, 0.0005110200000000, 0.0015265700000000 ] - [ 0.0001201600000000, -0.0000884100000000, -0.0001830300000000 ] - [ -0.0000108600000000, 0.0006785700000000, 0.0002234400000000 ] - [ -0.0007958600000000, 0.0025094000000000, 0.0011639600000000 ] - [ 0.0017693200000000, 0.0068218200000000, 0.0010584100000000 ] - [ -0.0000955100000000, -0.0006429300000000, 0.0002027200000000 ] - [ 0.0001070100000000, -0.0001588100000000, 0.0001925600000000 ] - [ 0.0000683800000000, -0.0004021100000000, -0.0010029600000000 ] - [ -0.0001016800000000, -0.0000955400000000, -0.0017023500000000 ] - [ -0.0000842000000000, -0.0004832800000000, -0.0000038900000000 ] - [ 0.0004600700000000, -0.0011092800000000, 0.0045930000000000 ] - [ 0.0005666300000000, 0.0002549100000000, 0.0001702500000000 ] - [ -0.0008047100000000, -0.0007158900000000, 0.0002789500000000 ] - [ -0.0006069100000000, -0.0007313100000000, -0.0004504400000000 ] - [ 0.0028734600000000, 0.0022249400000000, 0.0051036400000000 ] - [ 0.0062563700000000, -0.0070322900000000, 0.0035100900000000 ] - [ 0.0001136100000000, 0.0002357100000000, -0.0004436700000000 ] - [ 0.0024761700000000, -0.0022901200000000, 0.0023026500000000 ] - [ 0.0001801200000000, 0.0007762900000000, 0.0004486200000000 ] - [ 0.0009136200000000, 0.0003070300000000, -0.0005235700000000 ] - [ -0.0001469400000000, -0.0007966000000000, 0.0011386500000000 ] - [ -0.0004095800000000, 0.0033730000000000, -0.0004587000000000 ] - [ -0.0008798900000000, -0.0006420000000000, -0.0003493600000000 ] - [ -0.0003500600000000, -0.0003079200000000, 0.0000514100000000 ] - [ -0.0002321400000000, 0.0003389900000000, -0.0006592400000000 ] - [ 0.0000596400000000, 0.0001444300000000, -0.0003572300000000 ] - [ 0.0001296800000000, -0.0000913200000000, 0.0008863100000000 ] - [ -0.0001775800000000, -0.0007015100000000, -0.0001666100000000 ] - [ 0.0001206800000000, -0.0000870300000000, 0.0001156700000000 ] - [ 0.0003759100000000, 0.0011903400000000, -0.0006954200000000 ] - [ -0.0033824600000000, 0.0032323500000000, -0.0014289300000000 ] - [ -0.0089902700000000, -0.0056122800000000, 0.0010919900000000 ] - [ 0.0007485200000000, 0.0009702100000000, 0.0010319900000000 ] - [ 0.0001799000000000, 0.0002011900000000, 0.0008016000000000 ] - [ 0.0001195100000000, 0.0001177100000000, -0.0005658700000000 ] - [ 0.0000338600000000, -0.0002725800000000, 0.0003154200000000 ] - [ 0.0012061900000000, 0.0001438500000000, 0.0006137800000000 ] - [ -0.0006803500000000, -0.0003123200000000, 0.0008282400000000 ] - [ -0.0002214100000000, 0.0003918000000000, 0.0003030100000000 ] - [ -0.0027678100000000, -0.0012109800000000, -0.0000543700000000 ] - [ 0.0000862400000000, -0.0001062600000000, 0.0015121700000000 ] - [ 0.0005577700000000, -0.0001836300000000, 0.0009814600000000 ] - [ -0.0001290400000000, -0.0007287100000000, -0.0003485500000000 ] - [ 0.0002416900000000, -0.0009221100000000, 0.0062557400000000 ] - [ 0.0004373400000000, 0.0014433900000000, -0.0001080400000000 ] - [ -0.0010269200000000, 0.0008522000000000, 0.0010434000000000 ] - [ 0.0266360800000000, 0.0097957000000000, 0.0618614800000000 ] - [ 0.0126226000000000, -0.0031267700000000, -0.0160884700000000 ] - [ 0.0000156500000000, 0.0006860700000000, 0.0019037400000000 ] - [ -0.0003702800000000, 0.0002026400000000, 0.0013236000000000 ] - [ -0.0004616800000000, -0.0016099900000000, 0.0012236900000000 ] - [ 0.0000486800000000, 0.0001010400000000, -0.0001130200000000 ] - [ 0.0006369100000000, -0.0009123200000000, -0.0001057100000000 ] - [ -0.0004819600000000, 0.0005974800000000, 0.0002584400000000 ] - [ 0.0004502200000000, -0.0001525200000000, 0.0000743900000000 ] - [ -0.0002127500000000, 0.0001854100000000, -0.0002367500000000 ] - [ -0.0005377400000000, -0.0004035200000000, -0.0016955100000000 ] - [ 0.0005816000000000, -0.0009836100000000, -0.0000306700000000 ] - [ 0.0001793000000000, -0.0006048400000000, -0.0007432500000000 ]- atom: 86 displacement: [ 0.0035230240541542, 0.0000000000000000, -0.0093588621911988 ] forces: - [ 0.0023377500000000, 0.0004618900000000, 0.0000241800000000 ] - [ -0.0000057300000000, 0.0003253100000000, 0.0001143100000000 ] - [ 0.0002601200000000, -0.0001289900000000, 0.0000601800000000 ] - [ -0.0000027200000000, -0.0015005300000000, 0.0012669000000000 ] - [ -0.0000406800000000, -0.0004284000000000, -0.0005697600000000 ] - [ -0.0000576800000000, -0.0000919800000000, 0.0000845400000000 ] - [ -0.0001234100000000, 0.0000179200000000, -0.0004310600000000 ] - [ 0.0005423800000000, 0.0005425000000000, -0.0000635400000000 ] - [ 0.0010703900000000, 0.0014095600000000, -0.0038940400000000 ] - [ -0.0000275900000000, -0.0000442100000000, -0.0000803800000000 ] - [ -0.0021326200000000, 0.0016809400000000, -0.0015586400000000 ] - [ 0.0008794000000000, -0.0004844400000000, 0.0014088200000000 ] - [ -0.0007304000000000, 0.0005191300000000, 0.0006851100000000 ] - [ -0.0009697300000000, -0.0002098100000000, 0.0014852200000000 ] - [ -0.0001019900000000, 0.0001842300000000, 0.0003325900000000 ] - [ 0.0012342100000000, 0.0004526700000000, -0.0030001600000000 ] - [ -0.0000685600000000, -0.0002832800000000, -0.0001251300000000 ] - [ -0.0004233200000000, -0.0001340900000000, -0.0003916800000000 ] - [ -0.0005046800000000, 0.0006027000000000, 0.0009055000000000 ] - [ -0.0001576000000000, 0.0002790500000000, -0.0008390100000000 ] - [ 0.0010423800000000, -0.0027446000000000, 0.0006091100000000 ] - [ -0.0000897700000000, 0.0003539700000000, 0.0000514400000000 ] - [ -0.0003448600000000, -0.0000222300000000, 0.0003944800000000 ] - [ 0.0001926400000000, -0.0001856300000000, 0.0006105300000000 ] - [ -0.0005557400000000, -0.0008469800000000, 0.0175579800000000 ] - [ -0.0017154900000000, -0.0002261600000000, 0.0042619700000000 ] - [ -0.0002047400000000, 0.0000579200000000, 0.0014373500000000 ] - [ -0.0002817400000000, -0.0002041200000000, -0.0001663300000000 ] - [ -0.0014441400000000, 0.0016215100000000, -0.0008149600000000 ] - [ -0.0007816100000000, 0.0018284700000000, 0.0007384600000000 ] - [ -0.0005258200000000, -0.0012151200000000, 0.0014477800000000 ] - [ 0.0003087900000000, -0.0005004900000000, 0.0006368800000000 ] - [ 0.0007674800000000, -0.0009129600000000, -0.0053581700000000 ] - [ 0.0011351400000000, 0.0020541000000000, -0.0015347500000000 ] - [ 0.0011397100000000, 0.0005509300000000, -0.0016121400000000 ] - [ 0.0052995900000000, -0.0027955500000000, -0.0356558600000000 ] - [ 0.0000869500000000, 0.0000224900000000, -0.0008608600000000 ] - [ -0.0002620400000000, -0.0016463400000000, -0.0003726500000000 ] - [ -0.0000163100000000, -0.0002944100000000, -0.0000577400000000 ] - [ 0.0006898700000000, -0.0014729700000000, 0.0026600000000000 ] - [ 0.0011962800000000, 0.0016740800000000, 0.0007486400000000 ] - [ -0.0007745800000000, -0.0033523600000000, 0.0001115600000000 ] - [ 0.0000926800000000, -0.0001495300000000, -0.0001288200000000 ] - [ 0.0040076000000000, 0.0028660500000000, 0.0018661900000000 ] - [ -0.0003439100000000, 0.0004815900000000, -0.0001888700000000 ] - [ 0.0003852600000000, 0.0000289900000000, 0.0000868100000000 ] - [ 0.0011726900000000, -0.0037493300000000, -0.0018322000000000 ] - [ -0.0001177600000000, -0.0002804000000000, 0.0001535500000000 ] - [ -0.0060181400000000, 0.0022993100000000, -0.0006448200000000 ] - [ -0.0014976800000000, -0.0018177800000000, 0.0007007100000000 ] - [ -0.0000070500000000, -0.0004576400000000, 0.0011926000000000 ] - [ 0.0001353600000000, -0.0001095500000000, -0.0001365500000000 ] - [ 0.0001991800000000, 0.0007056000000000, 0.0001021600000000 ] - [ 0.0021259000000000, -0.0015905600000000, 0.0006248400000000 ] - [ 0.0002686000000000, -0.0000872300000000, 0.0000058800000000 ] - [ 0.0017495300000000, 0.0003349700000000, 0.0024622000000000 ] - [ -0.0000757100000000, 0.0004377900000000, -0.0001150200000000 ] - [ 0.0005227800000000, 0.0003422000000000, -0.0006817700000000 ] - [ -0.0000810300000000, 0.0003795200000000, -0.0000501400000000 ] - [ -0.0007555200000000, 0.0004345000000000, 0.0001988800000000 ] - [ -0.0010804100000000, 0.0006179100000000, -0.0019634800000000 ] - [ -0.0001375200000000, -0.0001202400000000, 0.0013157800000000 ] - [ 0.0061156400000000, -0.0006748200000000, -0.0004401000000000 ] - [ -0.0001618800000000, -0.0008222200000000, -0.0001456500000000 ] - [ 0.0024384900000000, 0.0000036700000000, 0.0070798300000000 ] - [ 0.0004956900000000, -0.0001635200000000, 0.0012239000000000 ] - [ -0.0000431600000000, 0.0001299600000000, 0.0004495200000000 ] - [ 0.0001012000000000, 0.0012707100000000, -0.0018106700000000 ] - [ 0.0003601200000000, 0.0007650500000000, 0.0014238900000000 ] - [ -0.0006020900000000, 0.0000952800000000, -0.0018084700000000 ] - [ -0.0002609600000000, -0.0001550200000000, 0.0007347300000000 ] - [ 0.0001424400000000, -0.0000592000000000, 0.0001024000000000 ] - [ -0.0001797600000000, -0.0002517400000000, -0.0000768200000000 ] - [ 0.0000005500000000, -0.0007994000000000, -0.0009468900000000 ] - [ -0.0390479400000000, 0.0140513800000000, -0.1192258900000000 ] - [ -0.0004134500000000, -0.0007747200000000, -0.0007650800000000 ] - [ -0.0019033500000000, 0.0037188300000000, -0.0003596600000000 ] - [ 0.0000189000000000, -0.0007812200000000, -0.0000721200000000 ] - [ -0.0000221700000000, -0.0012024600000000, 0.0000032600000000 ] - [ -0.0001090000000000, 0.0027096600000000, 0.0004032400000000 ] - [ 0.0003780200000000, 0.0006287000000000, -0.0000397700000000 ] - [ -0.0000890200000000, 0.0000123800000000, 0.0007714000000000 ] - [ 0.0000530800000000, 0.0002720600000000, 0.0012298100000000 ] - [ -0.0001205200000000, 0.0005928800000000, -0.0002151700000000 ] - [ -0.0003259900000000, -0.0019385700000000, -0.0001016500000000 ] - [ 0.0642763600000000, -0.0070473400000000, 0.2198209300000000 ] - [ 0.0001088300000000, 0.0007999600000000, 0.0002681100000000 ] - [ -0.0020097200000000, 0.0002247200000000, -0.0018422200000000 ] - [ -0.0004877400000000, 0.0002517200000000, 0.0017763200000000 ] - [ 0.0002556600000000, -0.0006888500000000, 0.0000441300000000 ] - [ 0.0002012500000000, -0.0000522200000000, 0.0003420700000000 ] - [ -0.0002066400000000, 0.0007957500000000, 0.0001203900000000 ] - [ 0.0052008400000000, 0.0014628700000000, -0.0115407800000000 ] - [ -0.0000816300000000, 0.0007437300000000, -0.0007677300000000 ] - [ -0.0001353400000000, -0.0011847700000000, 0.0001575600000000 ] - [ 0.0001378300000000, -0.0006954100000000, -0.0002198100000000 ] - [ -0.0011735200000000, -0.0022887700000000, -0.0016207600000000 ] - [ -0.0004470800000000, 0.0009918100000000, -0.0009563700000000 ] - [ -0.0001294600000000, 0.0000767900000000, -0.0002773400000000 ] - [ -0.0001454800000000, 0.0003158500000000, -0.0001983300000000 ] - [ 0.0000842100000000, -0.0001894200000000, 0.0019736000000000 ] - [ -0.0003228900000000, -0.0000201600000000, -0.0006976100000000 ] - [ 0.0017518000000000, 0.0003909600000000, 0.0004671000000000 ] - [ 0.0028212200000000, 0.0007686600000000, -0.0018312900000000 ] - [ -0.0028827000000000, 0.0012639400000000, 0.0007668800000000 ] - [ 0.0003669900000000, -0.0003180900000000, 0.0005064000000000 ] - [ -0.0002393700000000, 0.0000471000000000, -0.0002977900000000 ] - [ 0.0002488600000000, 0.0002529200000000, -0.0000876500000000 ] - [ 0.0000751500000000, -0.0000458200000000, 0.0002109800000000 ] - [ -0.0001682300000000, 0.0001880300000000, 0.0000907100000000 ] - [ -0.0002314800000000, 0.0000251900000000, 0.0005215800000000 ] - [ -0.0004892700000000, -0.0001443100000000, -0.0009933900000000 ] - [ 0.0012414500000000, -0.0000456500000000, 0.0021577900000000 ] - [ 0.0016341500000000, -0.0021965900000000, 0.0019697100000000 ] - [ 0.0003400200000000, -0.0018366900000000, 0.0010734200000000 ] - [ 0.0005921900000000, 0.0004276600000000, -0.0010610500000000 ] - [ 0.0003468400000000, -0.0000275900000000, 0.0003730700000000 ] - [ -0.0054053500000000, -0.0004177500000000, -0.0011864900000000 ] - [ -0.0004133200000000, -0.0006620000000000, -0.0000610000000000 ] - [ 0.0003265900000000, -0.0007772200000000, 0.0001121800000000 ] - [ 0.0002722000000000, -0.0017248700000000, -0.0012173200000000 ] - [ -0.0020412300000000, -0.0069483600000000, -0.0007452300000000 ] - [ -0.0002207600000000, 0.0005419100000000, -0.0005278900000000 ] - [ 0.0000932800000000, 0.0004845400000000, -0.0000710300000000 ] - [ -0.0004596800000000, -0.0004833500000000, 0.0009279900000000 ] - [ -0.0001380600000000, -0.0000344400000000, 0.0013930900000000 ] - [ 0.0000051700000000, 0.0004033100000000, -0.0006491600000000 ] - [ -0.0007101100000000, 0.0012486800000000, -0.0048755700000000 ] - [ 0.0003889700000000, -0.0000986800000000, -0.0000424000000000 ] - [ 0.0017403400000000, 0.0012847900000000, -0.0003985800000000 ] - [ 0.0001330800000000, 0.0006511600000000, 0.0002636900000000 ] - [ -0.0030890500000000, -0.0022961600000000, -0.0048164300000000 ] - [ -0.0063636900000000, 0.0065841900000000, -0.0036091800000000 ] - [ 0.0000388000000000, 0.0009552600000000, 0.0001083700000000 ] - [ -0.0034313800000000, 0.0024477500000000, -0.0024113800000000 ] - [ 0.0000760000000000, 0.0002956000000000, -0.0007881800000000 ] - [ 0.0000535500000000, -0.0004589700000000, 0.0006395500000000 ] - [ 0.0005288300000000, 0.0007103800000000, -0.0015147800000000 ] - [ 0.0006249400000000, -0.0022394100000000, 0.0000873500000000 ] - [ -0.0000754200000000, 0.0004834500000000, 0.0002186700000000 ] - [ 0.0000983500000000, -0.0007640800000000, 0.0002950000000000 ] - [ -0.0003042500000000, -0.0004128300000000, 0.0004513800000000 ] - [ -0.0001386400000000, -0.0000688000000000, -0.0003058100000000 ] - [ -0.0006952500000000, 0.0002870700000000, -0.0004221000000000 ] - [ -0.0000502600000000, 0.0017983700000000, 0.0005254500000000 ] - [ 0.0003336500000000, 0.0001702400000000, -0.0003592400000000 ] - [ -0.0006023000000000, -0.0013291800000000, 0.0011379300000000 ] - [ 0.0023980500000000, -0.0037532100000000, 0.0015125600000000 ] - [ 0.0083768200000000, 0.0047562900000000, -0.0011819800000000 ] - [ -0.0004948000000000, -0.0010922600000000, -0.0007327400000000 ] - [ 0.0000542800000000, -0.0003471500000000, -0.0012269600000000 ] - [ 0.0001148000000000, 0.0000316000000000, 0.0001262100000000 ] - [ 0.0004442700000000, -0.0002301100000000, -0.0011515500000000 ] - [ -0.0007930000000000, 0.0007364700000000, -0.0005477300000000 ] - [ 0.0002205900000000, 0.0002225000000000, -0.0005791500000000 ] - [ -0.0000716700000000, -0.0001716200000000, 0.0000316700000000 ] - [ 0.0030436700000000, 0.0004587000000000, 0.0002928900000000 ] - [ 0.0003819500000000, 0.0000297000000000, -0.0013124500000000 ] - [ -0.0002258300000000, -0.0003695400000000, -0.0015640000000000 ] - [ 0.0004203300000000, 0.0005043400000000, 0.0000133700000000 ] - [ -0.0001071700000000, 0.0008938400000000, -0.0070304800000000 ] - [ -0.0005770300000000, -0.0002369300000000, 0.0004288000000000 ] - [ 0.0008238300000000, -0.0005250900000000, -0.0011568300000000 ] - [ -0.0267918200000000, -0.0098965800000000, -0.0628987400000000 ] - [ -0.0124836500000000, 0.0029162100000000, 0.0165199200000000 ] - [ -0.0002495100000000, -0.0005332600000000, -0.0014656700000000 ] - [ 0.0002366600000000, -0.0001823100000000, -0.0004702400000000 ] - [ 0.0007475000000000, 0.0018324700000000, -0.0015442300000000 ] - [ 0.0001512500000000, -0.0004288600000000, 0.0002297100000000 ] - [ 0.0002981100000000, 0.0003418000000000, -0.0000243100000000 ] - [ -0.0004530200000000, -0.0000317700000000, -0.0001274600000000 ] - [ 0.0001202800000000, -0.0000493900000000, -0.0005337300000000 ] - [ -0.0001025900000000, -0.0000887300000000, -0.0000977500000000 ] - [ -0.0000398500000000, 0.0003539500000000, 0.0010856500000000 ] - [ -0.0001686300000000, 0.0001002700000000, 0.0000776900000000 ] - [ 0.0004088700000000, 0.0007745700000000, 0.0002913700000000 ]- atom: 87 displacement: [ 0.0099999639143206, 0.0000000000000000, -0.0000268647033593 ] forces: - [ -0.0007949800000000, 0.0008207000000000, -0.0000231200000000 ] - [ 0.0000955200000000, 0.0000181400000000, -0.0001586100000000 ] - [ 0.0002889500000000, 0.0002063300000000, -0.0000527400000000 ] - [ 0.0000364200000000, -0.0001515300000000, 0.0002593400000000 ] - [ -0.0037994900000000, 0.0009636100000000, 0.0009363100000000 ] - [ -0.0002765800000000, -0.0001577600000000, 0.0001074000000000 ] - [ 0.0048661200000000, 0.0011822800000000, 0.0009200300000000 ] - [ 0.0003791900000000, 0.0005506900000000, 0.0000265500000000 ] - [ 0.0000000200000000, 0.0001029100000000, -0.0001392600000000 ] - [ 0.0017299000000000, 0.0029284000000000, -0.0005636600000000 ] - [ 0.0008012600000000, 0.0005425900000000, 0.0000380400000000 ] - [ -0.0001497600000000, 0.0001927700000000, 0.0005643100000000 ] - [ 0.0003507100000000, -0.0004661200000000, -0.0000830600000000 ] - [ 0.0001184200000000, 0.0001522000000000, 0.0000355000000000 ] - [ -0.0001062000000000, -0.0000660800000000, 0.0005701900000000 ] - [ 0.0032784300000000, -0.0004641800000000, -0.0017501000000000 ] - [ -0.0006720600000000, -0.0005202300000000, -0.0001882700000000 ] - [ -0.0002156400000000, 0.0003322600000000, -0.0001166400000000 ] - [ -0.0000342500000000, -0.0001642000000000, 0.0013724800000000 ] - [ 0.0000524300000000, 0.0008036300000000, -0.0000929600000000 ] - [ -0.0036805800000000, -0.0024822300000000, -0.0002713600000000 ] - [ 0.0001219900000000, 0.0004845900000000, -0.0003019500000000 ] - [ -0.0003147300000000, 0.0002239200000000, 0.0001578200000000 ] - [ 0.0001036000000000, 0.0003163100000000, 0.0000750900000000 ] - [ -0.0006028100000000, -0.0002825100000000, 0.0004216800000000 ] - [ 0.0028565800000000, 0.0026015300000000, 0.0036404700000000 ] - [ -0.0002587200000000, 0.0003086900000000, 0.0004183400000000 ] - [ 0.0010157000000000, -0.0007988600000000, -0.0004656500000000 ] - [ -0.0024854500000000, -0.0006792400000000, -0.0016371500000000 ] - [ 0.0004136900000000, 0.0012128800000000, -0.0003445500000000 ] - [ 0.0067149400000000, -0.0022523400000000, -0.0158827600000000 ] - [ -0.0052452400000000, -0.0026975300000000, 0.0023097900000000 ] - [ -0.0057599900000000, 0.0009623400000000, -0.0039995800000000 ] - [ 0.0005470500000000, -0.0009714300000000, 0.0141029700000000 ] - [ 0.0005243200000000, 0.0001856000000000, -0.0024235000000000 ] - [ -0.0005886800000000, -0.0012754600000000, -0.0000629100000000 ] - [ -0.0002385100000000, 0.0009083100000000, -0.0000783100000000 ] - [ 0.0425079300000000, -0.0215009000000000, -0.0202152600000000 ] - [ -0.0007070700000000, 0.0015476900000000, -0.0010876500000000 ] - [ -0.0019239900000000, -0.0021091100000000, 0.0001050400000000 ] - [ -0.0004716700000000, 0.0012260900000000, 0.0000949500000000 ] - [ 0.0000289200000000, 0.0009494100000000, 0.0003929800000000 ] - [ 0.0011602600000000, 0.0000631100000000, -0.0005144700000000 ] - [ 0.0005131900000000, -0.0014439300000000, 0.0010527900000000 ] - [ -0.0001123100000000, 0.0007591000000000, -0.0001093900000000 ] - [ 0.0002035100000000, 0.0014741700000000, 0.0000449400000000 ] - [ 0.0002214800000000, 0.0008521100000000, 0.0000006300000000 ] - [ -0.0010700700000000, 0.0010539200000000, 0.0012089000000000 ] - [ -0.0007357700000000, 0.0006948300000000, -0.0000954800000000 ] - [ 0.0040656900000000, -0.0009068200000000, -0.0005864200000000 ] - [ 0.0005007700000000, 0.0002388000000000, -0.0003127200000000 ] - [ -0.0010102600000000, 0.0007268400000000, 0.0003066200000000 ] - [ -0.0001962500000000, 0.0007145400000000, 0.0001024100000000 ] - [ -0.0068825600000000, -0.0023182400000000, 0.0020670200000000 ] - [ 0.0009263600000000, 0.0013284900000000, 0.0004315400000000 ] - [ 0.0002163200000000, -0.0005627500000000, -0.0003346200000000 ] - [ -0.0011373600000000, 0.0000286000000000, 0.0000038800000000 ] - [ 0.0028998400000000, -0.0013172800000000, -0.0013818600000000 ] - [ 0.0001817900000000, 0.0009926500000000, -0.0000855200000000 ] - [ 0.0001599900000000, 0.0008433700000000, 0.0001489100000000 ] - [ -0.0002647900000000, 0.0002752100000000, -0.0003034600000000 ] - [ -0.0000999800000000, -0.0000154000000000, -0.0003916400000000 ] - [ 0.0002155800000000, -0.0000413800000000, -0.0000310400000000 ] - [ -0.0001105500000000, 0.0001591200000000, 0.0002330800000000 ] - [ -0.0003670200000000, -0.0004333300000000, 0.0009870800000000 ] - [ -0.0000473200000000, 0.0003747100000000, 0.0002291800000000 ] - [ -0.0003175500000000, 0.0004276500000000, 0.0000206800000000 ] - [ 0.0002511900000000, 0.0008583400000000, -0.0006653000000000 ] - [ 0.0006705400000000, 0.0008538300000000, 0.0018450700000000 ] - [ 0.0030871300000000, 0.0052005900000000, -0.0021881900000000 ] - [ -0.0000581500000000, 0.0000418500000000, 0.0008081300000000 ] - [ 0.0043750900000000, -0.0083508000000000, 0.0015641900000000 ] - [ 0.0000914200000000, -0.0003457200000000, 0.0003364500000000 ] - [ 0.1751863000000000, -0.0746239700000000, -0.0169430800000000 ] - [ -0.0010585400000000, 0.0001493500000000, -0.0006738400000000 ] - [ -0.0057583100000000, -0.0070008000000000, -0.0018149500000000 ] - [ -0.0019046600000000, -0.0024374200000000, 0.0002479000000000 ] - [ -0.0028305600000000, 0.0000574700000000, -0.0008802600000000 ] - [ -0.0000224500000000, 0.0003854300000000, 0.0000965100000000 ] - [ -0.0002166700000000, 0.0007864400000000, 0.0000131700000000 ] - [ -0.0045223000000000, 0.0017157100000000, 0.0003247900000000 ] - [ 0.0004973100000000, -0.0009262300000000, 0.0006873700000000 ] - [ 0.0033516700000000, -0.0073896200000000, 0.0049036700000000 ] - [ -0.0004480800000000, 0.0034320200000000, -0.0004933700000000 ] - [ 0.0001016200000000, -0.0006581400000000, 0.0002005100000000 ] - [ 0.0010505300000000, 0.0004876100000000, 0.0005260900000000 ] - [ -0.2995212700000000, 0.1620301300000000, 0.0551967500000000 ] - [ -0.0002880200000000, 0.0004659100000000, -0.0003776200000000 ] - [ 0.0162387800000000, -0.0290362300000000, -0.0380995100000000 ] - [ 0.0002147600000000, -0.0019435800000000, -0.0008900700000000 ] - [ -0.0005486500000000, -0.0003051300000000, 0.0003863800000000 ] - [ 0.0017337500000000, 0.0005711300000000, -0.0000146000000000 ] - [ -0.0002505400000000, 0.0003489400000000, -0.0001508400000000 ] - [ 0.0003112700000000, -0.0003634800000000, 0.0001368100000000 ] - [ 0.0000518600000000, -0.0011375300000000, 0.0001646700000000 ] - [ -0.0004267800000000, -0.0012764500000000, 0.0000907900000000 ] - [ 0.0003969400000000, -0.0000842200000000, 0.0000412500000000 ] - [ 0.0022615100000000, 0.0012734800000000, -0.0016352500000000 ] - [ -0.0003288200000000, 0.0000814600000000, -0.0002522100000000 ] - [ 0.0003061200000000, 0.0000166000000000, 0.0000051700000000 ] - [ -0.0000119300000000, -0.0002854400000000, -0.0002998500000000 ] - [ -0.0001716400000000, -0.0004300200000000, -0.0000420600000000 ] - [ -0.0020898900000000, -0.0052558500000000, 0.0004324300000000 ] - [ -0.0017392000000000, 0.0000627300000000, -0.0000820100000000 ] - [ -0.0002607400000000, -0.0006989800000000, 0.0000913700000000 ] - [ -0.0000636700000000, -0.0003302500000000, 0.0001361500000000 ] - [ -0.0002285000000000, -0.0001878600000000, -0.0005706200000000 ] - [ 0.0009484400000000, -0.0010822000000000, -0.0006329900000000 ] - [ 0.0011666500000000, -0.0007345200000000, -0.0003276600000000 ] - [ -0.0002309100000000, 0.0000883400000000, 0.0002679600000000 ] - [ 0.0030990700000000, 0.0025302900000000, -0.0004008100000000 ] - [ -0.0000068800000000, 0.0004025100000000, -0.0004421700000000 ] - [ -0.0014852600000000, -0.0024907600000000, 0.0025412900000000 ] - [ 0.0006153100000000, -0.0009399700000000, 0.0013498000000000 ] - [ -0.0002786800000000, -0.0005664600000000, 0.0004876600000000 ] - [ 0.0006769600000000, 0.0008368500000000, 0.0007230100000000 ] - [ 0.0002020400000000, -0.0002180500000000, 0.0001487200000000 ] - [ -0.0002238500000000, 0.0007361000000000, 0.0000436200000000 ] - [ -0.0018361600000000, -0.0018010400000000, -0.0008588800000000 ] - [ 0.0002078900000000, -0.0010807700000000, 0.0002318200000000 ] - [ -0.0002229900000000, 0.0000937000000000, -0.0000871700000000 ] - [ 0.0006375900000000, 0.0014930100000000, -0.0009873700000000 ] - [ 0.0025946700000000, 0.0006291200000000, 0.0012818400000000 ] - [ 0.0018214000000000, -0.0011504100000000, 0.0022238200000000 ] - [ -0.0005478300000000, 0.0000483000000000, 0.0018601600000000 ] - [ -0.0000523000000000, -0.0004667600000000, 0.0000344400000000 ] - [ 0.0023250400000000, 0.0085738800000000, -0.0091701000000000 ] - [ 0.0000457700000000, 0.0004429400000000, -0.0002117400000000 ] - [ 0.0005181000000000, 0.0000674600000000, -0.0000055800000000 ] - [ -0.0060078800000000, 0.0010209200000000, -0.0017526500000000 ] - [ 0.0461042100000000, -0.0295663900000000, 0.0306864900000000 ] - [ 0.0002900600000000, 0.0004758300000000, -0.0007294200000000 ] - [ -0.0001968000000000, -0.0001252700000000, -0.0000941600000000 ] - [ 0.0000124400000000, 0.0000756500000000, -0.0001546800000000 ] - [ 0.0031639600000000, -0.0000981800000000, -0.0002479000000000 ] - [ 0.0001362800000000, -0.0007946500000000, -0.0003681000000000 ] - [ -0.0030799400000000, 0.0017416900000000, -0.0003769200000000 ] - [ 0.0001565400000000, -0.0002445100000000, -0.0001775100000000 ] - [ 0.0027434800000000, 0.0020765700000000, -0.0013892600000000 ] - [ -0.0006128500000000, -0.0004940900000000, -0.0000769800000000 ] - [ 0.0007684300000000, 0.0002845800000000, 0.0008089100000000 ] - [ -0.0003221700000000, -0.0004822700000000, -0.0000116000000000 ] - [ -0.0005040000000000, -0.0012071400000000, -0.0005168000000000 ] - [ -0.0001295600000000, -0.0003301300000000, 0.0001181900000000 ] - [ -0.0000505200000000, 0.0000917500000000, 0.0001961900000000 ] - [ 0.0001742700000000, -0.0002011200000000, -0.0002998000000000 ] - [ -0.0000437700000000, -0.0006636100000000, 0.0004704000000000 ] - [ 0.0014814400000000, 0.0009164600000000, 0.0008317900000000 ] - [ 0.0002785500000000, -0.0007191000000000, -0.0000018600000000 ] - [ -0.0003087200000000, 0.0010675400000000, -0.0026976200000000 ] - [ 0.0004042800000000, -0.0000111500000000, -0.0017874200000000 ] - [ -0.0007128300000000, 0.0006212400000000, -0.0000508100000000 ] - [ -0.0012776500000000, -0.0000958600000000, 0.0012601000000000 ] - [ 0.0070793000000000, -0.0049810600000000, -0.0086211400000000 ] - [ -0.0004666600000000, -0.0003895400000000, 0.0001731600000000 ] - [ -0.0004383000000000, -0.0003830200000000, 0.0001169000000000 ] - [ 0.0003875200000000, -0.0010028000000000, 0.0003375400000000 ] - [ 0.0001409000000000, -0.0002707300000000, -0.0000590400000000 ] - [ 0.0002652800000000, -0.0007402200000000, -0.0006285500000000 ] - [ 0.0002136400000000, -0.0006356100000000, -0.0002379000000000 ] - [ -0.0000874400000000, -0.0000183800000000, -0.0021695400000000 ] - [ -0.0008691900000000, 0.0015633200000000, 0.0006452000000000 ] - [ -0.0004728100000000, -0.0009353100000000, -0.0002176200000000 ] - [ 0.0006339300000000, 0.0002942600000000, -0.0000336600000000 ] - [ 0.0018748800000000, -0.0002898600000000, -0.0002020400000000 ] - [ -0.0001662200000000, 0.0000694600000000, 0.0006058500000000 ] - [ 0.0001690800000000, 0.0000635200000000, 0.0011400800000000 ] - [ -0.0013518800000000, 0.0030210800000000, 0.0014227100000000 ] - [ 0.0012583300000000, -0.0002050000000000, -0.0004205100000000 ] - [ 0.0005433400000000, -0.0008265200000000, -0.0001378300000000 ] - [ -0.0005462100000000, -0.0002604500000000, 0.0001283900000000 ] - [ 0.0003644700000000, -0.0004477700000000, -0.0002857300000000 ] - [ 0.0001143200000000, 0.0000214300000000, -0.0001704000000000 ] - [ 0.0026746300000000, 0.0021168100000000, 0.0026468800000000 ] - [ 0.0002085700000000, -0.0007857400000000, 0.0000564800000000 ] - [ 0.0111820800000000, 0.0038682400000000, 0.0027392700000000 ]- atom: 87 displacement: [ -0.0099999639143206, 0.0000000000000000, 0.0000268647033593 ] forces: - [ 0.0009824900000000, -0.0010284700000000, 0.0002046200000000 ] - [ -0.0002217400000000, 0.0004209800000000, 0.0001039600000000 ] - [ 0.0003273300000000, -0.0002162700000000, -0.0000925400000000 ] - [ 0.0000557400000000, -0.0005133100000000, 0.0000208800000000 ] - [ 0.0037102000000000, -0.0016317800000000, -0.0012227900000000 ] - [ 0.0000873400000000, -0.0000564900000000, -0.0002911500000000 ] - [ -0.0049941300000000, -0.0008687900000000, -0.0010034400000000 ] - [ 0.0004866500000000, -0.0002151400000000, 0.0001901300000000 ] - [ 0.0000576000000000, -0.0002076200000000, 0.0000246900000000 ] - [ -0.0018027200000000, -0.0028144100000000, 0.0006753000000000 ] - [ -0.0007091100000000, 0.0001162800000000, 0.0002402400000000 ] - [ 0.0002760500000000, -0.0006283400000000, -0.0005031400000000 ] - [ 0.0005152800000000, 0.0001298000000000, 0.0003003000000000 ] - [ -0.0000603300000000, -0.0000492000000000, -0.0001497500000000 ] - [ 0.0000477900000000, -0.0000380100000000, -0.0004564200000000 ] - [ -0.0038976800000000, 0.0004234900000000, 0.0019274800000000 ] - [ 0.0005477200000000, 0.0000793900000000, 0.0001301700000000 ] - [ -0.0006516000000000, -0.0006689100000000, -0.0001003400000000 ] - [ -0.0008264000000000, 0.0005000200000000, -0.0015862500000000 ] - [ 0.0000743800000000, -0.0003660400000000, 0.0001503600000000 ] - [ 0.0042940300000000, 0.0025006600000000, 0.0001250400000000 ] - [ -0.0002163600000000, 0.0001790700000000, 0.0000229700000000 ] - [ -0.0003023300000000, -0.0002140400000000, -0.0000124600000000 ] - [ 0.0000863900000000, -0.0001033800000000, 0.0001092700000000 ] - [ 0.0011125100000000, -0.0000358400000000, 0.0004957100000000 ] - [ -0.0027545100000000, -0.0030705500000000, -0.0033449200000000 ] - [ -0.0001138100000000, -0.0013356900000000, 0.0002466100000000 ] - [ -0.0015364100000000, 0.0004877200000000, -0.0004565600000000 ] - [ 0.0024187700000000, 0.0011530400000000, 0.0013410700000000 ] - [ -0.0002278000000000, -0.0008989600000000, -0.0005277200000000 ] - [ -0.0069892600000000, 0.0026091200000000, 0.0167456700000000 ] - [ 0.0053680500000000, 0.0030592400000000, -0.0022122100000000 ] - [ 0.0053775300000000, 0.0000734300000000, 0.0046382500000000 ] - [ -0.0010803000000000, 0.0013062300000000, -0.0150124600000000 ] - [ -0.0006334700000000, -0.0005637400000000, 0.0023341900000000 ] - [ 0.0007661700000000, 0.0009579400000000, -0.0008018500000000 ] - [ 0.0006368800000000, -0.0007244600000000, -0.0000088200000000 ] - [ -0.0406192900000000, 0.0191626300000000, 0.0182957200000000 ] - [ 0.0006362900000000, -0.0020327200000000, 0.0008017500000000 ] - [ 0.0023121800000000, 0.0019312200000000, -0.0001830000000000 ] - [ 0.0003545800000000, -0.0008498900000000, -0.0001822600000000 ] - [ 0.0004941600000000, -0.0006303800000000, 0.0005271600000000 ] - [ -0.0010441300000000, -0.0004356400000000, 0.0006055800000000 ] - [ -0.0009132400000000, 0.0016273000000000, -0.0009505600000000 ] - [ -0.0002839300000000, -0.0009413300000000, 0.0001953900000000 ] - [ 0.0001687700000000, -0.0004496700000000, -0.0007072300000000 ] - [ -0.0001525000000000, -0.0003814000000000, 0.0002882900000000 ] - [ 0.0008842300000000, -0.0013692100000000, -0.0003398700000000 ] - [ 0.0004169100000000, -0.0011683000000000, 0.0000416700000000 ] - [ -0.0040403300000000, 0.0012866100000000, 0.0007452800000000 ] - [ -0.0000502900000000, -0.0001693900000000, -0.0003803000000000 ] - [ 0.0013045800000000, -0.0008619500000000, 0.0002329900000000 ] - [ 0.0006179000000000, -0.0000530600000000, -0.0003417100000000 ] - [ 0.0064273500000000, 0.0029684000000000, -0.0018190600000000 ] - [ -0.0006124400000000, -0.0018054700000000, -0.0003786200000000 ] - [ 0.0000831000000000, -0.0002162200000000, -0.0001185200000000 ] - [ 0.0011742900000000, 0.0005845900000000, -0.0002214000000000 ] - [ -0.0024608700000000, 0.0006466100000000, 0.0011465600000000 ] - [ -0.0002543100000000, -0.0005978700000000, -0.0000827900000000 ] - [ -0.0001895800000000, -0.0014547500000000, 0.0000670000000000 ] - [ -0.0000292100000000, -0.0001422300000000, -0.0002408300000000 ] - [ 0.0003917600000000, 0.0001478700000000, 0.0009385500000000 ] - [ -0.0002496600000000, 0.0006451500000000, 0.0002468300000000 ] - [ -0.0003095100000000, -0.0008214300000000, 0.0000057600000000 ] - [ 0.0000739000000000, 0.0003003800000000, -0.0015296600000000 ] - [ 0.0003002700000000, -0.0006337400000000, -0.0003693800000000 ] - [ 0.0000642600000000, -0.0001673800000000, 0.0001242100000000 ] - [ 0.0000491300000000, -0.0000771500000000, 0.0002082300000000 ] - [ -0.0009711500000000, -0.0000713600000000, -0.0013837000000000 ] - [ -0.0028114400000000, -0.0049331900000000, 0.0020464300000000 ] - [ -0.0003912900000000, -0.0001107800000000, -0.0001147600000000 ] - [ -0.0040156700000000, 0.0088201600000000, -0.0015278600000000 ] - [ -0.0003890600000000, -0.0004302500000000, 0.0001148100000000 ] - [ -0.1862393600000000, 0.0827964700000000, 0.0197440900000000 ] - [ 0.0014943200000000, -0.0002135200000000, -0.0000290200000000 ] - [ 0.0054822900000000, 0.0067107500000000, 0.0019399800000000 ] - [ 0.0018231900000000, 0.0020467800000000, -0.0004176700000000 ] - [ 0.0028721000000000, -0.0006741800000000, 0.0006721100000000 ] - [ 0.0000930100000000, -0.0007821100000000, 0.0000717300000000 ] - [ -0.0001029600000000, -0.0003100100000000, -0.0000667500000000 ] - [ 0.0049893900000000, -0.0009338200000000, -0.0002289300000000 ] - [ -0.0006287200000000, 0.0009113500000000, 0.0001479600000000 ] - [ -0.0039047100000000, 0.0071720000000000, -0.0043953500000000 ] - [ 0.0001655500000000, -0.0026497800000000, 0.0002518100000000 ] - [ -0.0000333400000000, 0.0005364300000000, 0.0004631400000000 ] - [ -0.0005499600000000, -0.0004106600000000, -0.0003078200000000 ] - [ 0.3096410100000000, -0.1698201700000000, -0.0561649700000000 ] - [ -0.0002729000000000, -0.0003801700000000, 0.0001663000000000 ] - [ -0.0165646500000000, 0.0292404400000000, 0.0387549800000000 ] - [ 0.0002606400000000, 0.0011422400000000, 0.0009564400000000 ] - [ 0.0007775000000000, 0.0004407500000000, -0.0001051800000000 ] - [ -0.0020144300000000, 0.0005191000000000, 0.0003610300000000 ] - [ -0.0002308200000000, 0.0001622400000000, 0.0009838200000000 ] - [ 0.0002583100000000, 0.0003367300000000, 0.0004347800000000 ] - [ -0.0002041100000000, -0.0000430900000000, 0.0001735000000000 ] - [ 0.0006491700000000, 0.0001521800000000, -0.0004587800000000 ] - [ -0.0001258900000000, 0.0008609300000000, 0.0002020700000000 ] - [ -0.0021035100000000, -0.0024438200000000, 0.0012884000000000 ] - [ -0.0000632100000000, -0.0000136200000000, 0.0006668400000000 ] - [ -0.0006962000000000, 0.0008515900000000, -0.0000641400000000 ] - [ 0.0001427800000000, 0.0003047200000000, -0.0005319800000000 ] - [ -0.0003994900000000, 0.0004594800000000, -0.0005338600000000 ] - [ 0.0026159500000000, 0.0052766000000000, 0.0001582400000000 ] - [ 0.0015272700000000, -0.0011753500000000, 0.0004492800000000 ] - [ 0.0005331900000000, -0.0003813700000000, -0.0004384100000000 ] - [ -0.0001763200000000, 0.0004214300000000, 0.0000591000000000 ] - [ -0.0002560600000000, 0.0002592700000000, 0.0003570300000000 ] - [ -0.0004663900000000, 0.0015937700000000, -0.0002005300000000 ] - [ -0.0009306300000000, 0.0006456400000000, 0.0001352000000000 ] - [ -0.0001021300000000, 0.0004538300000000, 0.0003165300000000 ] - [ -0.0034308700000000, -0.0030608500000000, 0.0009858300000000 ] - [ 0.0005725900000000, -0.0004927200000000, 0.0006434000000000 ] - [ 0.0018071000000000, 0.0030253400000000, -0.0031195800000000 ] - [ -0.0005474300000000, 0.0010594700000000, -0.0006821200000000 ] - [ -0.0002013300000000, 0.0000557600000000, 0.0003498100000000 ] - [ -0.0004379400000000, -0.0007488800000000, -0.0009208200000000 ] - [ 0.0003602300000000, 0.0003059200000000, 0.0000585700000000 ] - [ 0.0005479600000000, -0.0005902700000000, 0.0002812200000000 ] - [ 0.0015674600000000, 0.0010235800000000, 0.0006164500000000 ] - [ 0.0001168200000000, 0.0009393600000000, 0.0001002500000000 ] - [ -0.0002502500000000, 0.0007087600000000, 0.0000219300000000 ] - [ -0.0009023200000000, -0.0017381900000000, 0.0013105900000000 ] - [ -0.0029249200000000, -0.0007720700000000, -0.0016229300000000 ] - [ -0.0016045100000000, 0.0014906400000000, -0.0021227900000000 ] - [ 0.0001499800000000, -0.0009122200000000, -0.0019163400000000 ] - [ -0.0001798700000000, 0.0003297200000000, -0.0003174700000000 ] - [ -0.0024272400000000, -0.0086527200000000, 0.0084712600000000 ] - [ -0.0002749700000000, -0.0003070400000000, -0.0000724500000000 ] - [ 0.0004227700000000, 0.0000756100000000, 0.0001288300000000 ] - [ 0.0069599600000000, -0.0003854100000000, 0.0016837400000000 ] - [ -0.0471855000000000, 0.0300511400000000, -0.0313822700000000 ] - [ -0.0005264800000000, -0.0005649600000000, 0.0009193400000000 ] - [ -0.0000170800000000, -0.0002021400000000, -0.0000234800000000 ] - [ 0.0001387200000000, 0.0011019200000000, -0.0001842400000000 ] - [ -0.0040830300000000, 0.0002351500000000, 0.0001237500000000 ] - [ 0.0001380000000000, 0.0018778200000000, 0.0000201000000000 ] - [ 0.0040195700000000, -0.0018867300000000, 0.0004795700000000 ] - [ 0.0002360800000000, 0.0001777100000000, -0.0002379900000000 ] - [ -0.0025203900000000, -0.0009521200000000, 0.0010204900000000 ] - [ -0.0003270800000000, 0.0003533900000000, -0.0000458000000000 ] - [ -0.0010505200000000, -0.0013735100000000, -0.0004636500000000 ] - [ -0.0002427800000000, 0.0003939700000000, -0.0001954600000000 ] - [ 0.0004362500000000, 0.0013301900000000, -0.0001470900000000 ] - [ -0.0004246700000000, 0.0005029800000000, 0.0003543900000000 ] - [ -0.0001683500000000, 0.0010327700000000, 0.0001717600000000 ] - [ 0.0003117100000000, 0.0003064600000000, 0.0000480400000000 ] - [ -0.0001897000000000, 0.0005277900000000, -0.0000431400000000 ] - [ -0.0024396600000000, -0.0015040000000000, -0.0006965400000000 ] - [ -0.0007502900000000, -0.0000830500000000, -0.0000636100000000 ] - [ 0.0005366600000000, -0.0012082200000000, 0.0029762200000000 ] - [ -0.0001731300000000, -0.0001208900000000, 0.0013575300000000 ] - [ 0.0009446500000000, -0.0004960100000000, -0.0003750900000000 ] - [ 0.0017654000000000, -0.0004137300000000, -0.0020973900000000 ] - [ -0.0066349300000000, 0.0057861200000000, 0.0086069000000000 ] - [ -0.0000201800000000, 0.0002840400000000, 0.0000788600000000 ] - [ 0.0001618000000000, 0.0006216900000000, 0.0002145400000000 ] - [ -0.0001182200000000, 0.0002249700000000, -0.0000945800000000 ] - [ 0.0003470700000000, 0.0002005200000000, 0.0002758800000000 ] - [ 0.0000665000000000, 0.0001981800000000, 0.0000423700000000 ] - [ 0.0000634400000000, 0.0003972300000000, -0.0000930500000000 ] - [ 0.0002145800000000, 0.0000013000000000, 0.0013340400000000 ] - [ 0.0007137100000000, -0.0003787200000000, -0.0003094800000000 ] - [ 0.0002539800000000, 0.0012661700000000, 0.0001012300000000 ] - [ -0.0002362700000000, -0.0002276900000000, -0.0003774200000000 ] - [ -0.0023505200000000, 0.0003865000000000, 0.0004565500000000 ] - [ -0.0000677600000000, 0.0000654600000000, -0.0001805900000000 ] - [ -0.0003007200000000, -0.0000446300000000, -0.0003102600000000 ] - [ 0.0016436200000000, -0.0027904300000000, -0.0017513000000000 ] - [ -0.0010430000000000, -0.0001265100000000, 0.0005393500000000 ] - [ 0.0004192200000000, 0.0002408400000000, 0.0000055800000000 ] - [ -0.0004150300000000, 0.0008469700000000, 0.0000037400000000 ] - [ 0.0001879200000000, 0.0002759000000000, -0.0001879000000000 ] - [ -0.0004407900000000, 0.0001159900000000, -0.0001616100000000 ] - [ -0.0032401800000000, -0.0021382300000000, -0.0032010700000000 ] - [ 0.0001783900000000, -0.0000802400000000, 0.0000022500000000 ] - [ -0.0105707800000000, -0.0036913900000000, -0.0032026200000000 ]- atom: 87 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0008526500000000, -0.0007993300000000, 0.0000202600000000 ] - [ -0.0002027900000000, 0.0006107600000000, -0.0003104200000000 ] - [ 0.0003314300000000, -0.0003675600000000, -0.0001458600000000 ] - [ 0.0000496000000000, -0.0006574700000000, 0.0000727000000000 ] - [ 0.0021858600000000, -0.0010573600000000, -0.0004622300000000 ] - [ -0.0001089000000000, -0.0002151300000000, -0.0001337100000000 ] - [ -0.0002792400000000, 0.0046328100000000, 0.0019250200000000 ] - [ 0.0004360800000000, -0.0003264900000000, 0.0001785800000000 ] - [ -0.0000703300000000, -0.0005381300000000, 0.0000206900000000 ] - [ 0.0004588300000000, -0.0033094100000000, 0.0006978100000000 ] - [ -0.0006794200000000, -0.0009070200000000, 0.0000425300000000 ] - [ 0.0002563600000000, -0.0005176000000000, -0.0003096500000000 ] - [ 0.0004424800000000, 0.0002991000000000, 0.0001388700000000 ] - [ -0.0000609100000000, -0.0002102800000000, -0.0002588100000000 ] - [ 0.0000718800000000, 0.0000778000000000, -0.0002246700000000 ] - [ -0.0002653200000000, 0.0066663700000000, -0.0022531200000000 ] - [ -0.0000658100000000, -0.0003747000000000, 0.0001768700000000 ] - [ -0.0004582600000000, -0.0008614800000000, -0.0001327500000000 ] - [ -0.0003368700000000, 0.0011222000000000, -0.0009226200000000 ] - [ 0.0001645000000000, -0.0006444500000000, 0.0001348400000000 ] - [ 0.0012460000000000, 0.0019880400000000, -0.0000666100000000 ] - [ -0.0000161400000000, 0.0002680700000000, -0.0000026400000000 ] - [ -0.0002879400000000, -0.0004020100000000, 0.0000178000000000 ] - [ 0.0001177700000000, -0.0002633400000000, 0.0001385800000000 ] - [ -0.0002858500000000, -0.0006592100000000, -0.0003067700000000 ] - [ -0.0003873500000000, -0.0034888000000000, -0.0040006100000000 ] - [ -0.0002002200000000, -0.0017047500000000, 0.0002360500000000 ] - [ -0.0009871300000000, -0.0016584400000000, 0.0002806400000000 ] - [ 0.0006240100000000, 0.0018640200000000, 0.0000164500000000 ] - [ -0.0001364400000000, -0.0015041700000000, -0.0005878800000000 ] - [ -0.0019475700000000, 0.0054408000000000, 0.0086756500000000 ] - [ 0.0007602700000000, 0.0025105000000000, -0.0002200700000000 ] - [ 0.0036445700000000, 0.0028773100000000, 0.0033003300000000 ] - [ -0.0000847700000000, 0.0024735500000000, -0.0120214100000000 ] - [ 0.0004210400000000, -0.0005748600000000, 0.0028131200000000 ] - [ -0.0003744700000000, 0.0005816000000000, 0.0004916200000000 ] - [ 0.0002200800000000, -0.0014612200000000, -0.0001447700000000 ] - [ -0.0198970900000000, 0.0266541000000000, 0.0132027200000000 ] - [ 0.0003614400000000, -0.0012788300000000, 0.0006103300000000 ] - [ 0.0006736000000000, 0.0021940600000000, -0.0006748600000000 ] - [ 0.0002986800000000, -0.0012856400000000, -0.0001296300000000 ] - [ 0.0003832400000000, -0.0011377400000000, 0.0005066700000000 ] - [ -0.0007141200000000, -0.0018065200000000, -0.0008417300000000 ] - [ -0.0002778800000000, 0.0025207100000000, 0.0003091500000000 ] - [ -0.0001747200000000, -0.0019318100000000, 0.0003123900000000 ] - [ 0.0001912600000000, -0.0009047300000000, -0.0007068900000000 ] - [ -0.0001473000000000, -0.0011239600000000, 0.0003674800000000 ] - [ 0.0004680200000000, -0.0015716200000000, -0.0001320400000000 ] - [ 0.0001513900000000, -0.0009727700000000, 0.0000708500000000 ] - [ -0.0049919900000000, -0.0006423400000000, -0.0009664600000000 ] - [ -0.0001846500000000, -0.0002937700000000, -0.0003360100000000 ] - [ 0.0010028500000000, -0.0006884700000000, 0.0003797900000000 ] - [ 0.0001535000000000, -0.0004710500000000, -0.0003500600000000 ] - [ 0.0040183900000000, 0.0030512000000000, -0.0015391400000000 ] - [ 0.0001926900000000, -0.0019036700000000, -0.0002694500000000 ] - [ -0.0001409300000000, -0.0001166100000000, -0.0002615400000000 ] - [ -0.0001393100000000, -0.0003607700000000, 0.0000001100000000 ] - [ -0.0007528200000000, 0.0021067600000000, 0.0001253500000000 ] - [ -0.0000533800000000, -0.0008960300000000, -0.0000537300000000 ] - [ 0.0000554400000000, -0.0018605900000000, 0.0000293100000000 ] - [ 0.0002519000000000, -0.0003813300000000, -0.0003843600000000 ] - [ 0.0007309300000000, 0.0005025500000000, 0.0002238700000000 ] - [ -0.0003385100000000, -0.0005941000000000, 0.0001916500000000 ] - [ -0.0002143900000000, -0.0013717700000000, -0.0002101900000000 ] - [ 0.0001032700000000, 0.0003317200000000, -0.0014852800000000 ] - [ 0.0004077400000000, -0.0008560900000000, -0.0003315600000000 ] - [ 0.0000915500000000, -0.0004303200000000, -0.0001495900000000 ] - [ -0.0001798000000000, -0.0003481900000000, 0.0002840000000000 ] - [ -0.0010974100000000, 0.0007005100000000, -0.0004671100000000 ] - [ -0.0004459700000000, -0.0043075500000000, 0.0030778400000000 ] - [ -0.0005110600000000, -0.0003191800000000, 0.0003362200000000 ] - [ -0.0038242600000000, 0.0026148400000000, 0.0013828900000000 ] - [ -0.0009720200000000, -0.0017043100000000, 0.0012101900000000 ] - [ -0.0807389500000000, 0.1023644300000000, 0.0124506300000000 ] - [ -0.0004018300000000, 0.0002411200000000, -0.0006781600000000 ] - [ 0.0023605700000000, 0.0045821100000000, 0.0007169600000000 ] - [ 0.0002053000000000, 0.0030999100000000, -0.0004405900000000 ] - [ 0.0011138700000000, -0.0000872900000000, 0.0002947600000000 ] - [ 0.0000206300000000, -0.0011259500000000, 0.0000739900000000 ] - [ -0.0002886700000000, -0.0006345100000000, -0.0000858200000000 ] - [ 0.0024827900000000, 0.0008976800000000, -0.0026876100000000 ] - [ -0.0004332200000000, 0.0006227700000000, 0.0000867900000000 ] - [ -0.0061397800000000, 0.0045123200000000, -0.0033423600000000 ] - [ 0.0009208100000000, -0.0004747100000000, -0.0002453900000000 ] - [ 0.0000601200000000, 0.0009107500000000, 0.0005066300000000 ] - [ 0.0014595700000000, 0.0005352600000000, -0.0003443700000000 ] - [ 0.1678218300000000, -0.1495635800000000, -0.0479302600000000 ] - [ -0.0000986900000000, -0.0005447900000000, 0.0000780300000000 ] - [ -0.0297124800000000, 0.0086930500000000, 0.0347550300000000 ] - [ -0.0000576700000000, 0.0007716800000000, 0.0006636100000000 ] - [ 0.0005165700000000, 0.0011086400000000, -0.0003681800000000 ] - [ -0.0006710500000000, 0.0004384700000000, 0.0001541600000000 ] - [ -0.0001133800000000, 0.0001653400000000, 0.0007985000000000 ] - [ 0.0002214900000000, 0.0005740800000000, 0.0003515900000000 ] - [ -0.0000640500000000, 0.0004102900000000, 0.0001759300000000 ] - [ 0.0000746400000000, 0.0003987800000000, -0.0004460500000000 ] - [ 0.0001338900000000, 0.0011163800000000, 0.0002724700000000 ] - [ -0.0009412100000000, -0.0030880900000000, 0.0006271400000000 ] - [ -0.0000618200000000, 0.0002751500000000, -0.0000562600000000 ] - [ -0.0004086400000000, 0.0009501800000000, -0.0000904600000000 ] - [ 0.0000899200000000, 0.0005811700000000, -0.0004586900000000 ] - [ -0.0003758400000000, 0.0004734900000000, -0.0003218000000000 ] - [ -0.0012035800000000, 0.0055454400000000, 0.0010230500000000 ] - [ 0.0014784000000000, -0.0000913900000000, 0.0006854700000000 ] - [ 0.0003056600000000, 0.0002430200000000, -0.0004065900000000 ] - [ -0.0005010300000000, 0.0007978500000000, 0.0001674500000000 ] - [ -0.0002428600000000, 0.0003109900000000, 0.0001837800000000 ] - [ -0.0003563400000000, 0.0012580000000000, -0.0003151400000000 ] - [ -0.0005414000000000, 0.0006463500000000, 0.0000213300000000 ] - [ -0.0001362600000000, 0.0006215300000000, 0.0007733300000000 ] - [ -0.0015019100000000, -0.0024639600000000, 0.0007146700000000 ] - [ 0.0008104500000000, -0.0009946700000000, 0.0004953800000000 ] - [ 0.0007323800000000, 0.0029720500000000, -0.0030958300000000 ] - [ -0.0005356900000000, 0.0005194400000000, -0.0004896000000000 ] - [ -0.0002976500000000, 0.0003401800000000, 0.0003957000000000 ] - [ -0.0004902700000000, -0.0010203000000000, -0.0002251300000000 ] - [ 0.0008874600000000, 0.0010685600000000, -0.0000710100000000 ] - [ 0.0003690400000000, 0.0005534900000000, -0.0010399100000000 ] - [ 0.0003202400000000, 0.0011046000000000, 0.0010504700000000 ] - [ 0.0000002000000000, 0.0014053400000000, 0.0000454400000000 ] - [ -0.0002052200000000, 0.0010210600000000, 0.0000794600000000 ] - [ 0.0006618200000000, -0.0025588800000000, -0.0001073700000000 ] - [ -0.0013014800000000, -0.0010662600000000, -0.0011027200000000 ] - [ -0.0006683800000000, 0.0003063900000000, -0.0007794300000000 ] - [ 0.0000737400000000, -0.0021777700000000, -0.0004614600000000 ] - [ -0.0000604400000000, 0.0005935000000000, -0.0003134600000000 ] - [ 0.0020263600000000, -0.0059972800000000, -0.0001935100000000 ] - [ 0.0000146800000000, -0.0002949800000000, 0.0002276400000000 ] - [ 0.0008978600000000, 0.0007026300000000, 0.0000722600000000 ] - [ 0.0039815400000000, 0.0008855600000000, 0.0063421100000000 ] - [ -0.0299915900000000, -0.0039716500000000, -0.0145163800000000 ] - [ -0.0005936600000000, -0.0007546600000000, 0.0005810000000000 ] - [ 0.0001593900000000, 0.0003591000000000, -0.0001174100000000 ] - [ 0.0001374000000000, 0.0017677400000000, -0.0000006700000000 ] - [ -0.0022642600000000, -0.0003305900000000, 0.0002957500000000 ] - [ -0.0001592300000000, 0.0020733100000000, 0.0000869200000000 ] - [ 0.0022726900000000, -0.0030646400000000, 0.0007218400000000 ] - [ 0.0002625600000000, 0.0003194900000000, -0.0002485400000000 ] - [ -0.0018244000000000, -0.0017190200000000, 0.0010994500000000 ] - [ -0.0001992700000000, 0.0006967700000000, 0.0000213000000000 ] - [ 0.0007396500000000, -0.0002215500000000, 0.0008164800000000 ] - [ -0.0000870100000000, 0.0007910900000000, -0.0001434400000000 ] - [ 0.0000891300000000, 0.0014458100000000, -0.0000122700000000 ] - [ -0.0004905900000000, 0.0007483900000000, 0.0003276900000000 ] - [ -0.0001038000000000, 0.0013319600000000, 0.0001520500000000 ] - [ 0.0004685200000000, 0.0005226100000000, -0.0001093600000000 ] - [ -0.0000909600000000, 0.0007315000000000, -0.0001023700000000 ] - [ -0.0013613800000000, -0.0018556000000000, -0.0004897100000000 ] - [ -0.0004650200000000, 0.0001250300000000, -0.0001433600000000 ] - [ 0.0003678100000000, -0.0015609000000000, 0.0021790600000000 ] - [ 0.0002345000000000, -0.0004454400000000, 0.0000917400000000 ] - [ 0.0007364400000000, 0.0018547200000000, -0.0003574500000000 ] - [ 0.0007171300000000, -0.0009652600000000, -0.0013723400000000 ] - [ -0.0044514100000000, 0.0032500800000000, 0.0052908500000000 ] - [ 0.0001211400000000, 0.0004990000000000, 0.0000355700000000 ] - [ -0.0000360300000000, 0.0009698700000000, 0.0001856300000000 ] - [ -0.0001473500000000, 0.0003832900000000, -0.0001297600000000 ] - [ 0.0003328800000000, 0.0003603000000000, 0.0002724900000000 ] - [ 0.0000286900000000, 0.0003430300000000, 0.0000632100000000 ] - [ 0.0002213700000000, 0.0006843200000000, -0.0000614300000000 ] - [ -0.0001181700000000, 0.0000430000000000, 0.0014140800000000 ] - [ 0.0000853800000000, -0.0013870600000000, -0.0002819800000000 ] - [ 0.0000954800000000, 0.0016594200000000, 0.0002090700000000 ] - [ 0.0004968400000000, 0.0001490500000000, 0.0000863100000000 ] - [ -0.0005536100000000, -0.0005899600000000, 0.0002036000000000 ] - [ -0.0000851100000000, 0.0001012400000000, -0.0002111100000000 ] - [ -0.0002902600000000, -0.0003478700000000, 0.0005217000000000 ] - [ 0.0023991200000000, -0.0023104000000000, -0.0002224000000000 ] - [ -0.0001002500000000, -0.0000538400000000, 0.0003265300000000 ] - [ 0.0003739300000000, 0.0005073500000000, -0.0000296900000000 ] - [ -0.0005499500000000, 0.0010530800000000, 0.0000077100000000 ] - [ 0.0001738000000000, 0.0004389200000000, -0.0000911700000000 ] - [ -0.0001048400000000, 0.0007530400000000, -0.0001971100000000 ] - [ -0.0017181900000000, -0.0021972200000000, -0.0018489000000000 ] - [ 0.0000005800000000, 0.0002389600000000, 0.0000185300000000 ] - [ -0.0057460000000000, -0.0048868700000000, -0.0027132900000000 ]- atom: 87 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006656600000000, 0.0005830200000000, 0.0001674100000000 ] - [ 0.0000712500000000, -0.0001669200000000, 0.0002558600000000 ] - [ 0.0002847800000000, 0.0003585600000000, -0.0000000600000000 ] - [ 0.0000425200000000, -0.0000090700000000, 0.0002045700000000 ] - [ -0.0022838700000000, 0.0003913400000000, 0.0001907800000000 ] - [ -0.0000815500000000, -0.0000014600000000, -0.0000540900000000 ] - [ 0.0001971100000000, -0.0043127300000000, -0.0019887500000000 ] - [ 0.0004339100000000, 0.0006669300000000, 0.0000417000000000 ] - [ 0.0001306100000000, 0.0004297900000000, -0.0001377800000000 ] - [ -0.0005036800000000, 0.0034058200000000, -0.0005804100000000 ] - [ 0.0007742300000000, 0.0015795100000000, 0.0002359700000000 ] - [ -0.0001253900000000, 0.0000738700000000, 0.0003644100000000 ] - [ 0.0004278900000000, -0.0006401700000000, 0.0000808100000000 ] - [ 0.0001211300000000, 0.0003196600000000, 0.0001421100000000 ] - [ -0.0001314900000000, -0.0001874900000000, 0.0003407500000000 ] - [ -0.0004597600000000, -0.0068613200000000, 0.0026065800000000 ] - [ -0.0000672400000000, -0.0000676600000000, -0.0002308900000000 ] - [ -0.0004114000000000, 0.0005235500000000, -0.0000878300000000 ] - [ -0.0005324200000000, -0.0007862900000000, 0.0007019700000000 ] - [ -0.0000332100000000, 0.0010905000000000, -0.0000811800000000 ] - [ -0.0006374000000000, -0.0019895100000000, -0.0000785900000000 ] - [ -0.0000751900000000, 0.0003993100000000, -0.0002755000000000 ] - [ -0.0003283300000000, 0.0004126600000000, 0.0001281200000000 ] - [ 0.0000721600000000, 0.0004812900000000, 0.0000479000000000 ] - [ 0.0007946900000000, 0.0003309300000000, 0.0012146400000000 ] - [ 0.0004759600000000, 0.0030149300000000, 0.0043056600000000 ] - [ -0.0001904600000000, 0.0006824000000000, 0.0004314400000000 ] - [ 0.0004782300000000, 0.0013347400000000, -0.0011837800000000 ] - [ -0.0007082500000000, -0.0013881400000000, -0.0002987400000000 ] - [ 0.0003197500000000, 0.0018275000000000, -0.0002689700000000 ] - [ 0.0017663100000000, -0.0051201300000000, -0.0078792400000000 ] - [ -0.0006458900000000, -0.0021440500000000, 0.0002927800000000 ] - [ -0.0040404800000000, -0.0018649900000000, -0.0026356500000000 ] - [ -0.0004322500000000, -0.0021521900000000, 0.0111458700000000 ] - [ -0.0005368400000000, 0.0002037900000000, -0.0028986900000000 ] - [ 0.0005599700000000, -0.0009012600000000, -0.0013532400000000 ] - [ 0.0001529800000000, 0.0016499600000000, 0.0000436700000000 ] - [ 0.0210614300000000, -0.0279140400000000, -0.0144331100000000 ] - [ -0.0004474400000000, 0.0008093900000000, -0.0008937900000000 ] - [ -0.0003020500000000, -0.0023868600000000, 0.0005723600000000 ] - [ -0.0004131200000000, 0.0016589100000000, 0.0000545800000000 ] - [ 0.0001246300000000, 0.0014657600000000, 0.0003976300000000 ] - [ 0.0008280700000000, 0.0014376100000000, 0.0009149800000000 ] - [ -0.0001014400000000, -0.0023439700000000, -0.0002111100000000 ] - [ -0.0001997500000000, 0.0017497400000000, -0.0002105100000000 ] - [ 0.0001994900000000, 0.0019334300000000, 0.0000394100000000 ] - [ 0.0002328100000000, 0.0016048100000000, -0.0000861600000000 ] - [ -0.0006517500000000, 0.0012555500000000, 0.0009907300000000 ] - [ -0.0004833100000000, 0.0004949400000000, -0.0001190900000000 ] - [ 0.0050540700000000, 0.0010118400000000, 0.0011339900000000 ] - [ 0.0006234400000000, 0.0003732300000000, -0.0003627800000000 ] - [ -0.0007129200000000, 0.0005472800000000, 0.0001664500000000 ] - [ 0.0002590200000000, 0.0011470600000000, 0.0001221300000000 ] - [ -0.0044395000000000, -0.0023821000000000, 0.0017720000000000 ] - [ 0.0001402400000000, 0.0014265600000000, 0.0003179600000000 ] - [ 0.0004323900000000, -0.0006549000000000, -0.0001987700000000 ] - [ 0.0001648900000000, 0.0009659400000000, -0.0002144000000000 ] - [ 0.0011742000000000, -0.0027925900000000, -0.0003500600000000 ] - [ -0.0000094900000000, 0.0012796400000000, -0.0001086700000000 ] - [ -0.0000834700000000, 0.0012593400000000, 0.0001853400000000 ] - [ -0.0005453400000000, 0.0005254700000000, -0.0001596700000000 ] - [ -0.0004401500000000, -0.0003605800000000, 0.0003170100000000 ] - [ 0.0003109700000000, 0.0012022200000000, 0.0000226900000000 ] - [ -0.0001987900000000, 0.0006994900000000, 0.0004393500000000 ] - [ -0.0003958900000000, -0.0004756900000000, 0.0009413300000000 ] - [ -0.0001526600000000, 0.0005968800000000, 0.0001931500000000 ] - [ -0.0003487800000000, 0.0006931800000000, 0.0002875900000000 ] - [ 0.0004710400000000, 0.0011191500000000, -0.0007443200000000 ] - [ 0.0008069800000000, 0.0000673600000000, 0.0009245200000000 ] - [ 0.0006936000000000, 0.0045782200000000, -0.0032395000000000 ] - [ 0.0000753700000000, 0.0002415800000000, 0.0003623300000000 ] - [ 0.0041451500000000, -0.0021196500000000, -0.0013312500000000 ] - [ 0.0006813000000000, 0.0009339200000000, -0.0007509300000000 ] - [ 0.0760172600000000, -0.1010655300000000, -0.0110807000000000 ] - [ 0.0008434100000000, -0.0003207800000000, -0.0000187200000000 ] - [ -0.0026142000000000, -0.0048460800000000, -0.0005731800000000 ] - [ -0.0002651100000000, -0.0034858400000000, 0.0002776800000000 ] - [ -0.0010928400000000, -0.0005177600000000, -0.0005115100000000 ] - [ 0.0000428100000000, 0.0007475000000000, 0.0000884900000000 ] - [ -0.0000427100000000, 0.0011149700000000, 0.0000378600000000 ] - [ -0.0019667800000000, -0.0001075800000000, 0.0027313300000000 ] - [ 0.0003006600000000, -0.0006445400000000, 0.0007650000000000 ] - [ 0.0056188000000000, -0.0047254100000000, 0.0038301900000000 ] - [ -0.0012140800000000, 0.0012253000000000, 0.0000018600000000 ] - [ 0.0000184400000000, -0.0009917900000000, 0.0001555500000000 ] - [ -0.0009967400000000, -0.0004663500000000, 0.0005361600000000 ] - [ -0.1635888900000000, 0.1490415400000000, 0.0470257300000000 ] - [ -0.0004454900000000, 0.0006284800000000, -0.0002832300000000 ] - [ 0.0290824800000000, -0.0089182000000000, -0.0341453100000000 ] - [ 0.0005769200000000, -0.0015607700000000, -0.0006053000000000 ] - [ -0.0002712900000000, -0.0009729100000000, 0.0006588000000000 ] - [ 0.0004214400000000, 0.0006314500000000, 0.0001959000000000 ] - [ -0.0003692200000000, 0.0003385500000000, 0.0000403900000000 ] - [ 0.0003547400000000, -0.0006041800000000, 0.0002374900000000 ] - [ -0.0000863200000000, -0.0016036200000000, 0.0001585700000000 ] - [ 0.0001495500000000, -0.0015086700000000, 0.0000793100000000 ] - [ 0.0001586300000000, -0.0003616000000000, -0.0000292100000000 ] - [ 0.0010942600000000, 0.0019053100000000, -0.0009632700000000 ] - [ -0.0003216900000000, -0.0001989300000000, 0.0004374000000000 ] - [ 0.0000061800000000, -0.0000769400000000, 0.0000396800000000 ] - [ 0.0000430200000000, -0.0005649800000000, -0.0003937300000000 ] - [ -0.0002003600000000, -0.0004470500000000, -0.0002659000000000 ] - [ 0.0018071500000000, -0.0055571500000000, -0.0004447600000000 ] - [ -0.0017054400000000, -0.0010088600000000, -0.0003223300000000 ] - [ -0.0000547300000000, -0.0013171200000000, 0.0000574300000000 ] - [ 0.0002378300000000, -0.0006868600000000, 0.0000362200000000 ] - [ -0.0002257000000000, -0.0002408700000000, -0.0003758100000000 ] - [ 0.0008393200000000, -0.0007588600000000, -0.0005249200000000 ] - [ 0.0008074500000000, -0.0007614700000000, -0.0002265400000000 ] - [ -0.0001917200000000, -0.0000739400000000, -0.0001827700000000 ] - [ 0.0011779900000000, 0.0019174700000000, -0.0001261200000000 ] - [ -0.0002633300000000, 0.0009138000000000, -0.0002899800000000 ] - [ -0.0004042900000000, -0.0024318100000000, 0.0025171000000000 ] - [ 0.0006159900000000, -0.0004405700000000, 0.0011548900000000 ] - [ -0.0001837800000000, -0.0008457400000000, 0.0004434900000000 ] - [ 0.0007548000000000, 0.0011352200000000, 0.0000238300000000 ] - [ -0.0003409700000000, -0.0009868500000000, 0.0002757200000000 ] - [ -0.0000521900000000, -0.0004562800000000, 0.0013791800000000 ] - [ -0.0006144500000000, -0.0018594300000000, -0.0012955700000000 ] - [ 0.0003170800000000, -0.0015105300000000, 0.0002879200000000 ] - [ -0.0003154100000000, -0.0002344600000000, -0.0001403100000000 ] - [ -0.0009553300000000, 0.0023421200000000, 0.0004459000000000 ] - [ 0.0009878600000000, 0.0009672000000000, 0.0007723000000000 ] - [ 0.0008766300000000, 0.0000164700000000, 0.0009076500000000 ] - [ -0.0004806000000000, 0.0013041200000000, 0.0004090200000000 ] - [ -0.0001878900000000, -0.0007316900000000, 0.0000209100000000 ] - [ -0.0021232900000000, 0.0059164800000000, -0.0004495800000000 ] - [ -0.0002627600000000, 0.0004334700000000, -0.0005201900000000 ] - [ 0.0000535700000000, -0.0005517600000000, 0.0000539000000000 ] - [ -0.0030475600000000, -0.0002926000000000, -0.0064828400000000 ] - [ 0.0294808000000000, 0.0036465000000000, 0.0143315300000000 ] - [ 0.0003322200000000, 0.0006443200000000, -0.0003776700000000 ] - [ -0.0003619200000000, -0.0006889400000000, -0.0000029400000000 ] - [ 0.0000135900000000, -0.0005802000000000, -0.0003347100000000 ] - [ 0.0013168800000000, 0.0004848100000000, -0.0004234200000000 ] - [ 0.0004128400000000, -0.0010048500000000, -0.0004391400000000 ] - [ -0.0013243800000000, 0.0029166200000000, -0.0006093400000000 ] - [ 0.0001209500000000, -0.0003971600000000, -0.0001330100000000 ] - [ 0.0020478200000000, 0.0028327700000000, -0.0014663600000000 ] - [ -0.0007511200000000, -0.0008500400000000, -0.0001478100000000 ] - [ -0.0009892900000000, -0.0008495600000000, -0.0004642600000000 ] - [ -0.0004588400000000, -0.0008753000000000, -0.0000624300000000 ] - [ -0.0001686300000000, -0.0013686700000000, -0.0006506400000000 ] - [ -0.0000757500000000, -0.0005535300000000, 0.0001344500000000 ] - [ -0.0001216700000000, -0.0002277700000000, 0.0002151500000000 ] - [ -0.0000104000000000, -0.0004386200000000, -0.0001351400000000 ] - [ -0.0001419700000000, -0.0008832000000000, 0.0005368100000000 ] - [ 0.0004209200000000, 0.0012904000000000, 0.0006186500000000 ] - [ -0.0000548200000000, -0.0009141800000000, 0.0000832000000000 ] - [ -0.0001216100000000, 0.0014255000000000, -0.0018884100000000 ] - [ -0.0000023100000000, 0.0002976900000000, -0.0005228800000000 ] - [ -0.0005047700000000, -0.0017057400000000, -0.0000744100000000 ] - [ -0.0002375600000000, 0.0004613300000000, 0.0005402400000000 ] - [ 0.0048652300000000, -0.0023898800000000, -0.0052531200000000 ] - [ -0.0005814100000000, -0.0005866700000000, 0.0002097400000000 ] - [ -0.0002552400000000, -0.0007508100000000, 0.0001478600000000 ] - [ 0.0004407400000000, -0.0011407100000000, 0.0003741400000000 ] - [ 0.0001366600000000, -0.0004321900000000, -0.0000800200000000 ] - [ 0.0002996500000000, -0.0008925600000000, -0.0006534500000000 ] - [ 0.0000691600000000, -0.0009081800000000, -0.0002728200000000 ] - [ 0.0002517700000000, -0.0000601200000000, -0.0022711500000000 ] - [ -0.0002360800000000, 0.0025855200000000, 0.0006181100000000 ] - [ -0.0002979000000000, -0.0013353200000000, -0.0003312000000000 ] - [ -0.0001149500000000, -0.0000727400000000, -0.0004710900000000 ] - [ 0.0000939500000000, 0.0006784600000000, 0.0000401800000000 ] - [ -0.0001480300000000, 0.0000490300000000, 0.0006477900000000 ] - [ 0.0001567900000000, 0.0003660000000000, 0.0003334000000000 ] - [ -0.0021087900000000, 0.0025406600000000, -0.0001106200000000 ] - [ 0.0003056600000000, -0.0002758400000000, -0.0002083100000000 ] - [ 0.0005648200000000, -0.0010771900000000, -0.0000987000000000 ] - [ -0.0003885700000000, -0.0004886200000000, 0.0001204900000000 ] - [ 0.0003936900000000, -0.0006373100000000, -0.0003704600000000 ] - [ -0.0002108500000000, -0.0006528400000000, -0.0001363500000000 ] - [ 0.0011439200000000, 0.0021739000000000, 0.0012576400000000 ] - [ 0.0004035400000000, -0.0011163900000000, 0.0000327500000000 ] - [ 0.0063101600000000, 0.0051037200000000, 0.0022656500000000 ]- atom: 87 displacement: [ -0.0035230240541542, 0.0000000000000000, 0.0093588621911988 ] forces: - [ 0.0006661900000000, -0.0007903600000000, 0.0005369800000000 ] - [ -0.0004442400000000, 0.0002742800000000, -0.0007449700000000 ] - [ 0.0003178600000000, -0.0001857100000000, -0.0002394400000000 ] - [ 0.0000881200000000, -0.0004835900000000, -0.0001166200000000 ] - [ 0.0025096500000000, -0.0008944200000000, 0.0006013500000000 ] - [ 0.0000162000000000, 0.0000732000000000, -0.0005425300000000 ] - [ -0.0019952000000000, 0.0016034000000000, 0.0029633700000000 ] - [ 0.0004572300000000, -0.0000579800000000, 0.0002849100000000 ] - [ 0.0000543900000000, -0.0001076100000000, 0.0001482100000000 ] - [ -0.0007638900000000, -0.0013717600000000, 0.0018607600000000 ] - [ -0.0004378400000000, 0.0002025300000000, 0.0007269800000000 ] - [ 0.0002536400000000, -0.0006100500000000, -0.0005762700000000 ] - [ 0.0003560100000000, 0.0000736300000000, -0.0003288600000000 ] - [ -0.0000586700000000, -0.0001790000000000, -0.0004245800000000 ] - [ 0.0002573500000000, -0.0000204500000000, -0.0008937300000000 ] - [ -0.0030784400000000, -0.0016755700000000, 0.0049411900000000 ] - [ 0.0002292800000000, 0.0001278700000000, 0.0004812000000000 ] - [ -0.0005268700000000, -0.0006397700000000, 0.0000416400000000 ] - [ -0.0001662200000000, 0.0003459600000000, -0.0021202400000000 ] - [ 0.0000682800000000, -0.0000522600000000, 0.0002282100000000 ] - [ 0.0017483000000000, 0.0007426700000000, 0.0007654800000000 ] - [ -0.0001815300000000, 0.0004691900000000, -0.0004961900000000 ] - [ -0.0002789200000000, -0.0001169600000000, -0.0000839500000000 ] - [ 0.0000543800000000, 0.0000010700000000, -0.0000345600000000 ] - [ -0.0001429300000000, -0.0013128500000000, 0.0006506200000000 ] - [ -0.0005306600000000, -0.0046428400000000, -0.0019664100000000 ] - [ -0.0002185200000000, -0.0009932800000000, -0.0000776200000000 ] - [ -0.0008507000000000, 0.0018620200000000, -0.0004717800000000 ] - [ 0.0009581100000000, 0.0005809400000000, 0.0000671300000000 ] - [ -0.0001527200000000, -0.0007111000000000, -0.0003781500000000 ] - [ -0.0071663800000000, 0.0041444500000000, 0.0005474600000000 ] - [ 0.0043412200000000, 0.0024509100000000, -0.0017573700000000 ] - [ 0.0017033300000000, 0.0006785400000000, 0.0040584300000000 ] - [ 0.0011440200000000, 0.0001970600000000, -0.0166345000000000 ] - [ -0.0008805500000000, 0.0006684900000000, 0.0009806000000000 ] - [ 0.0011248000000000, 0.0013733900000000, -0.0013653900000000 ] - [ 0.0003206100000000, -0.0007413700000000, 0.0002462000000000 ] - [ -0.0325230800000000, 0.0191248700000000, 0.0286882900000000 ] - [ 0.0001469200000000, -0.0000613700000000, 0.0005517300000000 ] - [ 0.0005042500000000, 0.0008169100000000, -0.0020537500000000 ] - [ 0.0002675600000000, -0.0007110500000000, -0.0000671200000000 ] - [ 0.0003417900000000, -0.0002137800000000, 0.0003492600000000 ] - [ -0.0010858800000000, -0.0017765700000000, -0.0002553100000000 ] - [ -0.0001343000000000, 0.0021118800000000, -0.0030023200000000 ] - [ -0.0001816500000000, -0.0007112200000000, 0.0006374300000000 ] - [ 0.0002666700000000, -0.0004642100000000, -0.0011325400000000 ] - [ -0.0000046800000000, 0.0000620700000000, 0.0002445300000000 ] - [ 0.0008097100000000, -0.0016442100000000, -0.0001155200000000 ] - [ 0.0000740800000000, -0.0005114200000000, -0.0000260000000000 ] - [ -0.0065885400000000, -0.0025058300000000, 0.0003325500000000 ] - [ -0.0000081700000000, -0.0000524900000000, -0.0006717700000000 ] - [ 0.0010257700000000, -0.0004975100000000, 0.0011766100000000 ] - [ 0.0004839400000000, 0.0002841600000000, -0.0001800900000000 ] - [ 0.0048260900000000, 0.0020752100000000, -0.0012754000000000 ] - [ -0.0000594500000000, -0.0025348900000000, -0.0004248000000000 ] - [ -0.0002821400000000, -0.0004605800000000, -0.0010776200000000 ] - [ 0.0000738300000000, -0.0003017200000000, -0.0000384800000000 ] - [ -0.0035153200000000, 0.0022357900000000, -0.0007834600000000 ] - [ -0.0001432800000000, 0.0000705500000000, -0.0000580200000000 ] - [ -0.0000694300000000, -0.0013856600000000, 0.0000883700000000 ] - [ -0.0000311700000000, -0.0000346900000000, 0.0000938100000000 ] - [ -0.0000806100000000, 0.0003040500000000, -0.0013894400000000 ] - [ 0.0000008000000000, 0.0013260700000000, 0.0001899000000000 ] - [ -0.0002663400000000, -0.0008968800000000, -0.0000826700000000 ] - [ 0.0002211200000000, 0.0004647900000000, -0.0023774900000000 ] - [ 0.0002172000000000, -0.0005444800000000, -0.0005735700000000 ] - [ -0.0000885700000000, -0.0002561200000000, -0.0006154600000000 ] - [ 0.0000642000000000, -0.0000524200000000, 0.0003147100000000 ] - [ -0.0011604700000000, -0.0005413100000000, -0.0024430800000000 ] - [ -0.0003484500000000, -0.0015112700000000, 0.0040521800000000 ] - [ -0.0002575100000000, 0.0001007700000000, -0.0006869200000000 ] - [ -0.0012026800000000, 0.0084550600000000, -0.0013070900000000 ] - [ -0.0004030500000000, -0.0012398400000000, 0.0015613900000000 ] - [ -0.0770769000000000, 0.0367849800000000, 0.0560789800000000 ] - [ 0.0013787100000000, -0.0000548900000000, 0.0013703100000000 ] - [ 0.0032130700000000, 0.0041516200000000, 0.0028233100000000 ] - [ 0.0021648200000000, 0.0016104800000000, -0.0002922500000000 ] - [ 0.0007547300000000, 0.0001653000000000, -0.0000109300000000 ] - [ 0.0000869000000000, -0.0006101200000000, 0.0000680000000000 ] - [ -0.0002143100000000, -0.0003325900000000, -0.0000571600000000 ] - [ 0.0025523300000000, -0.0027557300000000, 0.0005920200000000 ] - [ -0.0003809200000000, 0.0002361300000000, -0.0005742300000000 ] - [ -0.0007172000000000, 0.0012957200000000, -0.0050150400000000 ] - [ -0.0008930000000000, -0.0030958200000000, 0.0001059200000000 ] - [ 0.0000547700000000, 0.0005739300000000, 0.0004639200000000 ] - [ -0.0013135200000000, -0.0008464400000000, -0.0009215800000000 ] - [ 0.1595725600000000, -0.1031265700000000, -0.1125407500000000 ] - [ 0.0001524100000000, -0.0003500400000000, 0.0009367700000000 ] - [ -0.0375805300000000, 0.0385307200000000, 0.0347399800000000 ] - [ -0.0001860100000000, 0.0016254700000000, 0.0011053100000000 ] - [ 0.0003457200000000, 0.0002813900000000, -0.0009576600000000 ] - [ -0.0008332900000000, -0.0002765600000000, 0.0002480200000000 ] - [ -0.0002460900000000, 0.0001094500000000, 0.0014894600000000 ] - [ 0.0002781000000000, 0.0002334900000000, 0.0006897200000000 ] - [ -0.0001464200000000, -0.0003360700000000, 0.0000318200000000 ] - [ 0.0004968700000000, -0.0005528100000000, -0.0003819500000000 ] - [ 0.0001343300000000, 0.0009909000000000, 0.0001830900000000 ] - [ -0.0016059700000000, -0.0016356900000000, 0.0011379700000000 ] - [ -0.0001927800000000, -0.0002609800000000, 0.0012052600000000 ] - [ -0.0004415000000000, 0.0004963300000000, 0.0000166400000000 ] - [ 0.0001074100000000, 0.0001453700000000, -0.0008228300000000 ] - [ -0.0002530400000000, 0.0001212800000000, 0.0001703600000000 ] - [ 0.0011886700000000, 0.0044997700000000, -0.0024256100000000 ] - [ 0.0018715700000000, 0.0015826700000000, -0.0000129200000000 ] - [ 0.0003965600000000, -0.0008479000000000, -0.0003255900000000 ] - [ -0.0001567300000000, 0.0003157200000000, -0.0001337600000000 ] - [ -0.0002433000000000, 0.0002231000000000, 0.0007727700000000 ] - [ -0.0004505100000000, 0.0013741500000000, -0.0008631300000000 ] - [ -0.0004769000000000, 0.0003840900000000, -0.0003176800000000 ] - [ -0.0000061100000000, 0.0006586500000000, 0.0009996800000000 ] - [ -0.0018848400000000, -0.0019728300000000, -0.0004462200000000 ] - [ 0.0009362000000000, -0.0003904600000000, 0.0016421900000000 ] - [ 0.0011396900000000, 0.0015058000000000, -0.0027719700000000 ] - [ -0.0001209400000000, 0.0003098400000000, -0.0002087300000000 ] - [ -0.0002466200000000, -0.0000101000000000, 0.0001271000000000 ] - [ 0.0000644000000000, -0.0004233300000000, 0.0006502600000000 ] - [ 0.0004964300000000, 0.0005297900000000, -0.0003570000000000 ] - [ 0.0002943500000000, -0.0012774300000000, 0.0008887900000000 ] - [ 0.0009432700000000, 0.0019305800000000, 0.0011711200000000 ] - [ 0.0000708900000000, 0.0009211500000000, 0.0000818500000000 ] - [ -0.0002470000000000, 0.0008902600000000, 0.0000466400000000 ] - [ -0.0016238900000000, -0.0015969400000000, 0.0018045000000000 ] - [ -0.0010461300000000, -0.0005661500000000, -0.0002643900000000 ] - [ -0.0001214400000000, -0.0003459200000000, -0.0004383200000000 ] - [ 0.0015987900000000, -0.0011758700000000, -0.0005776300000000 ] - [ -0.0001942600000000, 0.0002399300000000, -0.0004550100000000 ] - [ -0.0055446600000000, -0.0076393400000000, 0.0076664800000000 ] - [ 0.0001749100000000, 0.0001774600000000, 0.0007543600000000 ] - [ 0.0002760900000000, -0.0002097200000000, 0.0000106300000000 ] - [ 0.0057216500000000, 0.0056974200000000, 0.0075840700000000 ] - [ 0.0044473400000000, 0.0003398000000000, -0.0193513200000000 ] - [ -0.0009709300000000, -0.0007600100000000, 0.0015091500000000 ] - [ -0.0002243000000000, -0.0005525800000000, 0.0000432700000000 ] - [ 0.0001683900000000, 0.0013654100000000, -0.0002030200000000 ] - [ -0.0030135800000000, 0.0005519100000000, 0.0001672900000000 ] - [ -0.0001383800000000, 0.0018828300000000, -0.0001282800000000 ] - [ 0.0034154000000000, -0.0020431100000000, 0.0033058200000000 ] - [ 0.0002043100000000, 0.0000723900000000, 0.0001201400000000 ] - [ -0.0028311900000000, -0.0007345000000000, 0.0011183000000000 ] - [ -0.0003008000000000, 0.0002909100000000, -0.0000135000000000 ] - [ 0.0003730900000000, -0.0001845000000000, 0.0005029700000000 ] - [ -0.0002531800000000, 0.0003145100000000, -0.0003533700000000 ] - [ 0.0002984900000000, 0.0018601600000000, 0.0000125000000000 ] - [ -0.0003246100000000, 0.0004115100000000, 0.0005115100000000 ] - [ -0.0001775300000000, 0.0008769000000000, 0.0001911200000000 ] - [ 0.0000774400000000, 0.0001129800000000, 0.0003367600000000 ] - [ -0.0001544900000000, 0.0004076400000000, -0.0002226800000000 ] - [ -0.0022532000000000, -0.0014759100000000, -0.0004633800000000 ] - [ -0.0005791600000000, -0.0003929700000000, -0.0000347600000000 ] - [ 0.0004115700000000, -0.0010388300000000, 0.0042013500000000 ] - [ -0.0001425200000000, 0.0002021300000000, 0.0021863900000000 ] - [ 0.0006996200000000, 0.0012746000000000, -0.0011606200000000 ] - [ 0.0011895100000000, -0.0006028600000000, 0.0006006400000000 ] - [ -0.0051366000000000, 0.0045482700000000, 0.0060675400000000 ] - [ -0.0000926600000000, 0.0001625500000000, 0.0002516900000000 ] - [ -0.0000631200000000, 0.0002116600000000, 0.0001213800000000 ] - [ 0.0000907500000000, -0.0002443900000000, 0.0000398400000000 ] - [ 0.0003299000000000, 0.0001632200000000, 0.0004092100000000 ] - [ 0.0000794800000000, 0.0001615200000000, 0.0001431900000000 ] - [ 0.0000895400000000, 0.0003326900000000, -0.0001036800000000 ] - [ -0.0001466900000000, 0.0002470600000000, 0.0020005900000000 ] - [ 0.0007475400000000, -0.0015395400000000, 0.0006338600000000 ] - [ 0.0001699300000000, 0.0013648200000000, -0.0000863700000000 ] - [ 0.0001093500000000, -0.0000548900000000, -0.0015339700000000 ] - [ -0.0012683600000000, 0.0002340800000000, -0.0004570900000000 ] - [ -0.0000102100000000, 0.0001538600000000, 0.0007335000000000 ] - [ -0.0001711000000000, -0.0002419200000000, 0.0019846000000000 ] - [ 0.0030220800000000, -0.0009251500000000, -0.0003867600000000 ] - [ -0.0002694100000000, 0.0001427400000000, 0.0002134800000000 ] - [ 0.0003911700000000, 0.0001737200000000, 0.0000256900000000 ] - [ -0.0003318700000000, 0.0004159400000000, 0.0000596900000000 ] - [ 0.0003445600000000, 0.0001817000000000, 0.0001419700000000 ] - [ -0.0001529300000000, 0.0006822600000000, -0.0002122100000000 ] - [ -0.0020143500000000, -0.0015581700000000, -0.0036281600000000 ] - [ 0.0001486100000000, -0.0001569400000000, 0.0000928200000000 ] - [ -0.0074922100000000, -0.0033415100000000, -0.0043924500000000 ]- atom: 87 displacement: [ 0.0035230240541542, 0.0000000000000000, -0.0093588621911988 ] forces: - [ -0.0004805100000000, 0.0005771100000000, -0.0003547200000000 ] - [ 0.0003114700000000, 0.0001677400000000, 0.0006919300000000 ] - [ 0.0002990800000000, 0.0001772300000000, 0.0000952700000000 ] - [ 0.0000039000000000, -0.0001819600000000, 0.0003951200000000 ] - [ -0.0026165800000000, 0.0002370700000000, -0.0008648000000000 ] - [ -0.0002077300000000, -0.0002920600000000, 0.0003556400000000 ] - [ 0.0018515700000000, -0.0013475000000000, -0.0031289100000000 ] - [ 0.0004133400000000, 0.0003993900000000, -0.0000645900000000 ] - [ 0.0000059000000000, -0.0000008700000000, -0.0002659200000000 ] - [ 0.0007033100000000, 0.0015085400000000, -0.0017399500000000 ] - [ 0.0005322400000000, 0.0004666700000000, -0.0004506500000000 ] - [ -0.0001244300000000, 0.0001702100000000, 0.0006340800000000 ] - [ 0.0005154500000000, -0.0004150600000000, 0.0005508700000000 ] - [ 0.0001196800000000, 0.0002900700000000, 0.0003088800000000 ] - [ -0.0003154100000000, -0.0000906800000000, 0.0010112800000000 ] - [ 0.0023700900000000, 0.0014330500000000, -0.0046395100000000 ] - [ -0.0003619400000000, -0.0005713400000000, -0.0005375700000000 ] - [ -0.0003443000000000, 0.0003031400000000, -0.0002617500000000 ] - [ -0.0007031900000000, -0.0000097100000000, 0.0019125000000000 ] - [ 0.0000625900000000, 0.0004975400000000, -0.0001744000000000 ] - [ -0.0011550500000000, -0.0007515100000000, -0.0009111700000000 ] - [ 0.0000908400000000, 0.0001987000000000, 0.0002169900000000 ] - [ -0.0003380700000000, 0.0001283000000000, 0.0002285600000000 ] - [ 0.0001355800000000, 0.0002180400000000, 0.0002216300000000 ] - [ 0.0006501400000000, 0.0009884700000000, 0.0002518200000000 ] - [ 0.0006300500000000, 0.0041994900000000, 0.0022610600000000 ] - [ -0.0001722700000000, -0.0000266900000000, 0.0007450400000000 ] - [ 0.0003504300000000, -0.0021858400000000, -0.0004374900000000 ] - [ -0.0010354400000000, -0.0001087400000000, -0.0003480800000000 ] - [ 0.0003366200000000, 0.0010382400000000, -0.0004799000000000 ] - [ 0.0070540200000000, -0.0038653500000000, 0.0001958800000000 ] - [ -0.0042699800000000, -0.0021038800000000, 0.0018357300000000 ] - [ -0.0020904700000000, 0.0003456100000000, -0.0034015600000000 ] - [ -0.0016617200000000, 0.0001306600000000, 0.0157389200000000 ] - [ 0.0007650500000000, -0.0010400200000000, -0.0010588900000000 ] - [ -0.0009412800000000, -0.0016935900000000, 0.0005113400000000 ] - [ 0.0000542500000000, 0.0009332900000000, -0.0003467200000000 ] - [ 0.0345439600000000, -0.0214072400000000, -0.0302374500000000 ] - [ -0.0002367700000000, -0.0004039300000000, -0.0008381000000000 ] - [ -0.0001439700000000, -0.0010166600000000, 0.0019519800000000 ] - [ -0.0003832200000000, 0.0010892500000000, -0.0000097700000000 ] - [ 0.0001670500000000, 0.0005420500000000, 0.0005566100000000 ] - [ 0.0011972400000000, 0.0014130400000000, 0.0003388200000000 ] - [ -0.0002446800000000, -0.0019303000000000, 0.0031073100000000 ] - [ -0.0001924100000000, 0.0005336500000000, -0.0005382300000000 ] - [ 0.0001226000000000, 0.0014930200000000, 0.0004666000000000 ] - [ 0.0000894000000000, 0.0004193400000000, 0.0000374700000000 ] - [ -0.0009902000000000, 0.0013268500000000, 0.0009763400000000 ] - [ -0.0004050600000000, 0.0000321500000000, -0.0000216600000000 ] - [ 0.0067080800000000, 0.0028875100000000, -0.0001824700000000 ] - [ 0.0004476500000000, 0.0001324200000000, -0.0000263400000000 ] - [ -0.0007356300000000, 0.0003570600000000, -0.0006281400000000 ] - [ -0.0000719000000000, 0.0003924200000000, -0.0000478700000000 ] - [ -0.0052900800000000, -0.0014186400000000, 0.0015162700000000 ] - [ 0.0003842900000000, 0.0020560200000000, 0.0004719800000000 ] - [ 0.0005725100000000, -0.0003082800000000, 0.0006203000000000 ] - [ -0.0000413900000000, 0.0009105100000000, -0.0001776100000000 ] - [ 0.0039219600000000, -0.0029175900000000, 0.0005606600000000 ] - [ 0.0000799900000000, 0.0003155600000000, -0.0001046900000000 ] - [ 0.0000423200000000, 0.0007893800000000, 0.0001259100000000 ] - [ -0.0002633300000000, 0.0001795500000000, -0.0006378800000000 ] - [ 0.0003720700000000, -0.0001616400000000, 0.0019316900000000 ] - [ -0.0000295000000000, -0.0007193400000000, 0.0000245800000000 ] - [ -0.0001476200000000, 0.0002268900000000, 0.0003129000000000 ] - [ -0.0005130200000000, -0.0006092100000000, 0.0018431000000000 ] - [ 0.0000372400000000, 0.0002871200000000, 0.0004364700000000 ] - [ -0.0001693800000000, 0.0005201800000000, 0.0007538900000000 ] - [ 0.0002280100000000, 0.0008251800000000, -0.0007765700000000 ] - [ 0.0008676200000000, 0.0013119900000000, 0.0029048500000000 ] - [ 0.0005827700000000, 0.0017643500000000, -0.0042260900000000 ] - [ -0.0001775500000000, -0.0001782900000000, 0.0013861700000000 ] - [ 0.0015762900000000, -0.0080479600000000, 0.0013470200000000 ] - [ 0.0001170400000000, 0.0004778600000000, -0.0011096600000000 ] - [ 0.0745202700000000, -0.0351581200000000, -0.0560775400000000 ] - [ -0.0009398300000000, -0.0000274700000000, -0.0020698500000000 ] - [ -0.0034866200000000, -0.0044409800000000, -0.0026923100000000 ] - [ -0.0022279700000000, -0.0019944400000000, 0.0001312700000000 ] - [ -0.0007456500000000, -0.0007662600000000, -0.0002103600000000 ] - [ -0.0000226700000000, 0.0002325500000000, 0.0000946600000000 ] - [ -0.0001171300000000, 0.0008156500000000, 0.0000093100000000 ] - [ -0.0020647000000000, 0.0035557900000000, -0.0005172400000000 ] - [ 0.0002506400000000, -0.0002602200000000, 0.0014255000000000 ] - [ 0.0001184100000000, -0.0014375500000000, 0.0055090800000000 ] - [ 0.0005944400000000, 0.0038767800000000, -0.0003466200000000 ] - [ 0.0000243000000000, -0.0006556500000000, 0.0001982300000000 ] - [ 0.0017789900000000, 0.0009187000000000, 0.0011121800000000 ] - [ -0.1585289100000000, 0.1024882800000000, 0.1134809800000000 ] - [ -0.0006948900000000, 0.0004330900000000, -0.0011447800000000 ] - [ 0.0366946300000000, -0.0379686100000000, -0.0340891900000000 ] - [ 0.0007083500000000, -0.0024084500000000, -0.0010425800000000 ] - [ -0.0001021300000000, -0.0001498500000000, 0.0012540000000000 ] - [ 0.0005935100000000, 0.0013499600000000, 0.0001020100000000 ] - [ -0.0002386300000000, 0.0003938100000000, -0.0006560400000000 ] - [ 0.0002985700000000, -0.0002640200000000, -0.0001019600000000 ] - [ -0.0000038400000000, -0.0008586400000000, 0.0003036900000000 ] - [ -0.0002736700000000, -0.0005592200000000, 0.0000168400000000 ] - [ 0.0001595300000000, -0.0002397000000000, 0.0000606600000000 ] - [ 0.0017737500000000, 0.0004592100000000, -0.0014809000000000 ] - [ -0.0001916700000000, 0.0003379100000000, -0.0008234300000000 ] - [ 0.0000405400000000, 0.0003762400000000, -0.0000671300000000 ] - [ 0.0000256900000000, -0.0001287700000000, -0.0000294700000000 ] - [ -0.0003230800000000, -0.0000956000000000, -0.0007576800000000 ] - [ -0.0006285500000000, -0.0045027600000000, 0.0030464900000000 ] - [ -0.0021154700000000, -0.0026985200000000, 0.0003835200000000 ] - [ -0.0001451700000000, -0.0002257100000000, -0.0000245500000000 ] - [ -0.0001058900000000, -0.0002058500000000, 0.0003379800000000 ] - [ -0.0002258100000000, -0.0001523300000000, -0.0009657600000000 ] - [ 0.0009344700000000, -0.0008734800000000, 0.0000195500000000 ] - [ 0.0007426700000000, -0.0004995300000000, 0.0001118800000000 ] - [ -0.0003211400000000, -0.0001117700000000, -0.0004118300000000 ] - [ 0.0015722500000000, 0.0014359000000000, 0.0010368800000000 ] - [ -0.0003867600000000, 0.0003093600000000, -0.0014382300000000 ] - [ -0.0008054500000000, -0.0009601100000000, 0.0021918300000000 ] - [ 0.0002003800000000, -0.0002321300000000, 0.0008710400000000 ] - [ -0.0002354700000000, -0.0004954200000000, 0.0007133400000000 ] - [ 0.0002020600000000, 0.0005413300000000, -0.0008497100000000 ] - [ 0.0000457200000000, -0.0004520200000000, 0.0005637400000000 ] - [ 0.0000229700000000, 0.0013774600000000, -0.0005532800000000 ] - [ -0.0012297000000000, -0.0026859400000000, -0.0014193300000000 ] - [ 0.0002463900000000, -0.0010305500000000, 0.0002524000000000 ] - [ -0.0002745500000000, -0.0001060500000000, -0.0001073000000000 ] - [ 0.0013332100000000, 0.0013774000000000, -0.0014727100000000 ] - [ 0.0007493400000000, 0.0004695600000000, -0.0000554200000000 ] - [ 0.0003344300000000, 0.0006670600000000, 0.0005743000000000 ] - [ -0.0020038800000000, 0.0003077100000000, 0.0005194000000000 ] - [ -0.0000543400000000, -0.0003786400000000, 0.0001630100000000 ] - [ 0.0055412600000000, 0.0076569700000000, -0.0084265800000000 ] - [ -0.0004225100000000, -0.0000396200000000, -0.0010488600000000 ] - [ 0.0006744000000000, 0.0003614000000000, 0.0001161700000000 ] - [ -0.0048431200000000, -0.0051854700000000, -0.0077934600000000 ] - [ -0.0045279900000000, -0.0005875500000000, 0.0193298000000000 ] - [ 0.0007103600000000, 0.0006494500000000, -0.0013113700000000 ] - [ 0.0000224400000000, 0.0002231200000000, -0.0001647500000000 ] - [ -0.0000176700000000, -0.0001800500000000, -0.0001335400000000 ] - [ 0.0020895000000000, -0.0004017900000000, -0.0002931700000000 ] - [ 0.0003921500000000, -0.0008208900000000, -0.0002220300000000 ] - [ -0.0024603700000000, 0.0018976000000000, -0.0031832200000000 ] - [ 0.0001787500000000, -0.0001503100000000, -0.0005031700000000 ] - [ 0.0030530900000000, 0.0018446900000000, -0.0014869000000000 ] - [ -0.0006504600000000, -0.0004450900000000, -0.0001134200000000 ] - [ -0.0006336500000000, -0.0008928400000000, -0.0001578500000000 ] - [ -0.0002933000000000, -0.0003999600000000, 0.0001479300000000 ] - [ -0.0003756600000000, -0.0017834900000000, -0.0006766800000000 ] - [ -0.0002410500000000, -0.0002178800000000, -0.0000496300000000 ] - [ -0.0000483300000000, 0.0002270600000000, 0.0001756600000000 ] - [ 0.0003806500000000, -0.0000285000000000, -0.0005816500000000 ] - [ -0.0000783100000000, -0.0005605600000000, 0.0006591000000000 ] - [ 0.0013122200000000, 0.0009105800000000, 0.0005908500000000 ] - [ 0.0000576500000000, -0.0003953600000000, -0.0000260700000000 ] - [ -0.0001663700000000, 0.0009039200000000, -0.0039108700000000 ] - [ 0.0003780200000000, -0.0003468900000000, -0.0026241600000000 ] - [ -0.0004703600000000, -0.0011394500000000, 0.0007270000000000 ] - [ -0.0007181800000000, 0.0001037100000000, -0.0014290500000000 ] - [ 0.0055984200000000, -0.0037288000000000, -0.0060890100000000 ] - [ -0.0003681300000000, -0.0002507900000000, -0.0000066300000000 ] - [ -0.0002281100000000, 0.0000064100000000, 0.0002129500000000 ] - [ 0.0002029800000000, -0.0005117500000000, 0.0002036800000000 ] - [ 0.0001386500000000, -0.0002360900000000, -0.0002173700000000 ] - [ 0.0002488300000000, -0.0007126400000000, -0.0007340000000000 ] - [ 0.0001993400000000, -0.0005573600000000, -0.0002311700000000 ] - [ 0.0002792400000000, -0.0002680000000000, -0.0028662000000000 ] - [ -0.0008957400000000, 0.0027349000000000, -0.0003001700000000 ] - [ -0.0003739300000000, -0.0010455300000000, -0.0000340700000000 ] - [ 0.0002743300000000, 0.0001340800000000, 0.0011548200000000 ] - [ 0.0008112200000000, -0.0001440700000000, 0.0007014900000000 ] - [ -0.0002223200000000, -0.0000050600000000, -0.0003006400000000 ] - [ 0.0000374500000000, 0.0002607300000000, -0.0011314700000000 ] - [ -0.0027533300000000, 0.0011699500000000, 0.0000652700000000 ] - [ 0.0004699800000000, -0.0004721700000000, -0.0000948100000000 ] - [ 0.0005479300000000, -0.0007434600000000, -0.0001541400000000 ] - [ -0.0006067100000000, 0.0001471600000000, 0.0000685800000000 ] - [ 0.0002233400000000, -0.0003802300000000, -0.0006041700000000 ] - [ -0.0001647400000000, -0.0005844600000000, -0.0001214600000000 ] - [ 0.0014463100000000, 0.0015405500000000, 0.0030525800000000 ] - [ 0.0002560500000000, -0.0007207500000000, -0.0000422800000000 ] - [ 0.0081042500000000, 0.0035771600000000, 0.0039752200000000 ]- atom: 88 displacement: [ 0.0099999639143206, 0.0000000000000000, -0.0000268647033593 ] forces: - [ 0.0004079800000000, -0.0002399500000000, 0.0002737300000000 ] - [ 0.0006043300000000, 0.0004013500000000, 0.0000874600000000 ] - [ 0.0002512300000000, 0.0002668900000000, 0.0000094000000000 ] - [ -0.0008145400000000, -0.0009351000000000, 0.0001454100000000 ] - [ -0.0000918500000000, -0.0002236700000000, -0.0003592500000000 ] - [ -0.0000434900000000, 0.0002419500000000, 0.0000522800000000 ] - [ 0.0000352300000000, 0.0002681700000000, -0.0003255700000000 ] - [ 0.0004737800000000, 0.0003269100000000, 0.0000193600000000 ] - [ -0.0000202100000000, -0.0000374100000000, -0.0002838400000000 ] - [ -0.0000491100000000, 0.0001393500000000, -0.0000692600000000 ] - [ -0.0001264500000000, 0.0003746200000000, -0.0002893700000000 ] - [ 0.0065409300000000, 0.0030225400000000, -0.0023357500000000 ] - [ -0.0023428100000000, -0.0017250200000000, 0.0021568700000000 ] - [ -0.0031661400000000, 0.0016195800000000, 0.0000208200000000 ] - [ -0.0005609800000000, 0.0003806700000000, 0.0001859400000000 ] - [ -0.0000027400000000, -0.0001940400000000, -0.0008400100000000 ] - [ -0.0000339200000000, -0.0001145500000000, -0.0000492600000000 ] - [ -0.0004127100000000, -0.0000281100000000, -0.0001619600000000 ] - [ -0.0020031200000000, 0.0010643300000000, 0.0010493600000000 ] - [ 0.0001800700000000, 0.0003255800000000, 0.0001446900000000 ] - [ 0.0006734900000000, -0.0002217700000000, -0.0005116500000000 ] - [ -0.0001225300000000, 0.0003282800000000, -0.0000282300000000 ] - [ -0.0004690800000000, 0.0000576700000000, 0.0001202100000000 ] - [ 0.0006213600000000, 0.0018160900000000, 0.0005897700000000 ] - [ 0.0043398600000000, 0.0019814100000000, -0.0125510200000000 ] - [ -0.0033107800000000, -0.0001794800000000, 0.0021782200000000 ] - [ 0.0003503900000000, 0.0003816400000000, 0.0003884900000000 ] - [ -0.0004908400000000, 0.0001652500000000, -0.0003510600000000 ] - [ -0.0007456200000000, 0.0005838200000000, 0.0001981000000000 ] - [ -0.0007250300000000, 0.0009937900000000, -0.0010228500000000 ] - [ -0.0010196700000000, -0.0013791300000000, -0.0001815700000000 ] - [ 0.0009130900000000, 0.0009545400000000, 0.0014787600000000 ] - [ -0.0005772300000000, -0.0007310500000000, 0.0001640700000000 ] - [ -0.0003685900000000, 0.0023208500000000, -0.0026737900000000 ] - [ 0.0048211200000000, -0.0024997700000000, 0.0081363800000000 ] - [ -0.0022981600000000, -0.0025627700000000, -0.0040256700000000 ] - [ 0.0001230900000000, 0.0005974100000000, -0.0000073300000000 ] - [ -0.0006266000000000, -0.0008940300000000, -0.0003012800000000 ] - [ 0.0000849100000000, -0.0001396900000000, -0.0002245700000000 ] - [ 0.0194839900000000, -0.0064079000000000, 0.0052092700000000 ] - [ 0.0011373200000000, -0.0001549300000000, 0.0006051300000000 ] - [ -0.0007276200000000, 0.0007524900000000, 0.0011250100000000 ] - [ 0.0003495600000000, 0.0004932700000000, -0.0000738400000000 ] - [ 0.0145950600000000, -0.0063243600000000, 0.0073365700000000 ] - [ -0.0002738100000000, 0.0001608400000000, 0.0000714200000000 ] - [ 0.0004232000000000, 0.0009174800000000, -0.0003106300000000 ] - [ 0.0005351400000000, -0.0003335000000000, -0.0002396000000000 ] - [ -0.0002967900000000, 0.0004317000000000, 0.0003122700000000 ] - [ -0.0018805700000000, -0.0004432100000000, 0.0003966900000000 ] - [ -0.0025992500000000, -0.0015453200000000, -0.0008112200000000 ] - [ 0.0001367800000000, 0.0004763400000000, -0.0006166100000000 ] - [ 0.0000017100000000, 0.0000209300000000, 0.0001182600000000 ] - [ 0.0003373800000000, 0.0005105400000000, -0.0000662600000000 ] - [ 0.0009865800000000, -0.0009044000000000, 0.0027161500000000 ] - [ 0.0002246600000000, 0.0004778600000000, 0.0000360200000000 ] - [ 0.1815025200000000, -0.0937787000000000, 0.0051346600000000 ] - [ -0.0000084300000000, 0.0006560900000000, -0.0000967900000000 ] - [ 0.0025936800000000, -0.0029900600000000, 0.0000278600000000 ] - [ -0.0001391800000000, 0.0004733600000000, -0.0001050200000000 ] - [ -0.0010471400000000, -0.0007929900000000, 0.0001708000000000 ] - [ -0.0003807100000000, 0.0001486900000000, -0.0005809700000000 ] - [ -0.0016667300000000, -0.0010773700000000, 0.0013785400000000 ] - [ 0.0010378700000000, -0.0041098400000000, -0.0004784900000000 ] - [ 0.0000363900000000, 0.0001792000000000, 0.0002959400000000 ] - [ -0.0074879100000000, -0.0049361500000000, 0.0027740300000000 ] - [ 0.0006384900000000, -0.0008119600000000, -0.0006446000000000 ] - [ -0.0001848200000000, 0.0004685900000000, 0.0003685300000000 ] - [ 0.0002359400000000, 0.0004837900000000, -0.0001917900000000 ] - [ -0.0018167100000000, 0.0027075200000000, 0.0025088000000000 ] - [ -0.0000551800000000, -0.0005609100000000, 0.0001469700000000 ] - [ -0.0002002400000000, 0.0000755300000000, 0.0003846800000000 ] - [ -0.0002428400000000, 0.0004832800000000, 0.0000584700000000 ] - [ -0.0000527200000000, -0.0001583900000000, 0.0000343100000000 ] - [ -0.0003985600000000, -0.0001871900000000, -0.0007805000000000 ] - [ 0.0001662900000000, -0.0007837300000000, -0.0025592800000000 ] - [ -0.0001186200000000, -0.0001927900000000, -0.0001229200000000 ] - [ -0.0029837000000000, 0.0013191300000000, -0.0000779000000000 ] - [ 0.0000858100000000, -0.0013551900000000, 0.0001821300000000 ] - [ -0.0001180700000000, -0.0000859300000000, 0.0000815000000000 ] - [ 0.0014359600000000, 0.0014392000000000, -0.0003985900000000 ] - [ 0.0006399700000000, 0.0004313800000000, 0.0001341300000000 ] - [ -0.0000615500000000, -0.0000819100000000, 0.0005833300000000 ] - [ -0.0001652100000000, 0.0004231200000000, 0.0001717300000000 ] - [ 0.0001459400000000, 0.0001551100000000, -0.0002923100000000 ] - [ -0.0006747500000000, -0.0010118800000000, 0.0002808700000000 ] - [ 0.0007148000000000, 0.0004448300000000, 0.0021518100000000 ] - [ 0.0002387000000000, 0.0001100700000000, 0.0003106500000000 ] - [ -0.2832172700000000, 0.1564001700000000, -0.0447305900000000 ] - [ -0.0002701700000000, -0.0000594600000000, 0.0015423800000000 ] - [ 0.0003441200000000, -0.0010799600000000, 0.0001358100000000 ] - [ 0.0001245700000000, -0.0000961400000000, 0.0002203400000000 ] - [ -0.0007523200000000, 0.0008792700000000, 0.0000312700000000 ] - [ 0.0044811300000000, 0.0027097900000000, 0.0010425900000000 ] - [ 0.0001316500000000, 0.0001883900000000, 0.0005378500000000 ] - [ -0.0001612300000000, -0.0007746100000000, 0.0001459900000000 ] - [ 0.0002059000000000, -0.0007642400000000, -0.0001821800000000 ] - [ -0.0021037000000000, -0.0004900300000000, 0.0000970400000000 ] - [ -0.0015990200000000, -0.0010763100000000, -0.0026049900000000 ] - [ -0.0001135400000000, -0.0001323200000000, 0.0000907400000000 ] - [ -0.0003040500000000, 0.0002773000000000, -0.0000190100000000 ] - [ 0.0000411600000000, 0.0000237000000000, -0.0000468200000000 ] - [ -0.0003172200000000, -0.0001923400000000, -0.0004613500000000 ] - [ 0.0006922000000000, 0.0002224400000000, 0.0000248600000000 ] - [ 0.0029696100000000, 0.0001171800000000, 0.0020911800000000 ] - [ -0.0023058500000000, 0.0005468600000000, -0.0007803400000000 ] - [ 0.0000568900000000, -0.0001068900000000, 0.0001804200000000 ] - [ -0.0001582500000000, -0.0001579900000000, -0.0001644500000000 ] - [ 0.0003231500000000, 0.0000957700000000, -0.0002452300000000 ] - [ 0.0002303600000000, -0.0002190300000000, -0.0000442800000000 ] - [ -0.0002263900000000, -0.0000922600000000, 0.0000765500000000 ] - [ -0.0003084200000000, -0.0003189400000000, 0.0002394300000000 ] - [ -0.0045446900000000, -0.0080236600000000, -0.0025414800000000 ] - [ -0.0003852000000000, 0.0005298300000000, -0.0014551000000000 ] - [ 0.0009055600000000, 0.0007208900000000, -0.0005816100000000 ] - [ -0.0000745900000000, -0.0004726400000000, 0.0008124200000000 ] - [ 0.0015905300000000, 0.0027153400000000, -0.0006411300000000 ] - [ 0.0002023900000000, -0.0001579500000000, 0.0001245500000000 ] - [ -0.0006924100000000, 0.0044131200000000, 0.0041791400000000 ] - [ -0.0003615000000000, -0.0012027200000000, -0.0000008000000000 ] - [ 0.0004024800000000, 0.0001350500000000, 0.0001449700000000 ] - [ -0.0006703100000000, -0.0015090300000000, 0.0009783500000000 ] - [ 0.0043463600000000, -0.0013460900000000, 0.0034699100000000 ] - [ -0.0006719900000000, 0.0026296700000000, 0.0007491200000000 ] - [ 0.0001016000000000, 0.0005836900000000, 0.0000650900000000 ] - [ -0.0011270800000000, 0.0000201900000000, 0.0000889500000000 ] - [ -0.0000950600000000, -0.0002601600000000, -0.0002876000000000 ] - [ 0.0002906400000000, -0.0001900800000000, -0.0006056800000000 ] - [ 0.0494932000000000, -0.0237928500000000, 0.0459815500000000 ] - [ 0.0003881200000000, -0.0001136700000000, 0.0000094200000000 ] - [ 0.0024583100000000, 0.0011635700000000, -0.0000925700000000 ] - [ 0.0000105500000000, 0.0001960600000000, 0.0007890400000000 ] - [ 0.0136201100000000, 0.0028215400000000, 0.0017784800000000 ] - [ -0.0002737600000000, 0.0014359600000000, 0.0005123000000000 ] - [ 0.0000099300000000, 0.0000792700000000, -0.0001993400000000 ] - [ -0.0050483200000000, 0.0012779800000000, -0.0012780200000000 ] - [ 0.0009017000000000, 0.0013311500000000, -0.0011066600000000 ] - [ -0.0026702400000000, -0.0006669000000000, 0.0019434700000000 ] - [ 0.0007714100000000, -0.0007161600000000, -0.0005030800000000 ] - [ 0.0011765400000000, -0.0003372200000000, -0.0000251900000000 ] - [ -0.0005871200000000, -0.0005465500000000, -0.0003350300000000 ] - [ -0.0001964100000000, -0.0008297100000000, 0.0002084700000000 ] - [ -0.0003404000000000, -0.0002040400000000, -0.0001433300000000 ] - [ -0.0001674000000000, -0.0005583400000000, -0.0004025600000000 ] - [ -0.0008597000000000, 0.0004034400000000, 0.0001963600000000 ] - [ 0.0002283500000000, 0.0005541000000000, 0.0002019400000000 ] - [ 0.0002030900000000, -0.0001234400000000, -0.0001294200000000 ] - [ -0.0002616200000000, -0.0001233000000000, 0.0002006100000000 ] - [ 0.0016987600000000, -0.0000719700000000, 0.0001760300000000 ] - [ 0.0011481100000000, 0.0000604700000000, 0.0002185100000000 ] - [ 0.0010024500000000, -0.0037248600000000, -0.0003026800000000 ] - [ 0.0006878700000000, -0.0014444200000000, -0.0025708800000000 ] - [ 0.0000640000000000, -0.0001764900000000, -0.0000123800000000 ] - [ 0.0014665800000000, -0.0000024300000000, -0.0005834000000000 ] - [ 0.0001523900000000, 0.0004290200000000, -0.0008688700000000 ] - [ -0.0003232200000000, -0.0006797100000000, 0.0003501300000000 ] - [ -0.0000049300000000, -0.0001367700000000, 0.0001841700000000 ] - [ 0.0013452600000000, -0.0006696300000000, -0.0012070900000000 ] - [ 0.0006619600000000, -0.0004619800000000, 0.0003137400000000 ] - [ -0.0000336200000000, 0.0013471900000000, -0.0002532500000000 ] - [ 0.0002984800000000, -0.0003389800000000, -0.0002145300000000 ] - [ 0.0032393900000000, 0.0011975000000000, -0.0037453000000000 ] - [ -0.0037146900000000, 0.0041948300000000, -0.0026523800000000 ] - [ 0.0007723200000000, 0.0002105600000000, 0.0000308000000000 ] - [ -0.0004162900000000, 0.0008449200000000, 0.0038438200000000 ] - [ -0.0005331900000000, 0.0006017300000000, 0.0007318700000000 ] - [ 0.0102627700000000, -0.0290466900000000, -0.0202377100000000 ] - [ 0.0004284700000000, 0.0005317400000000, -0.0007444000000000 ] - [ 0.0014786700000000, 0.0018115700000000, 0.0015810400000000 ] - [ 0.0001763700000000, -0.0004568700000000, 0.0001050300000000 ] - [ 0.0005671300000000, -0.0004416600000000, -0.0000204700000000 ] - [ -0.0004115700000000, 0.0000074200000000, 0.0001310300000000 ] - [ 0.0001660800000000, -0.0003669200000000, -0.0003621800000000 ] - [ -0.0001387700000000, -0.0003077900000000, -0.0001381400000000 ] - [ -0.0001800300000000, 0.0000811500000000, -0.0000399000000000 ] - [ -0.0001639500000000, -0.0006697100000000, -0.0001073300000000 ] - [ 0.0003655500000000, 0.0002232100000000, -0.0003533100000000 ]- atom: 88 displacement: [ -0.0099999639143206, 0.0000000000000000, 0.0000268647033593 ] forces: - [ -0.0002186600000000, 0.0000219400000000, -0.0000869500000000 ] - [ -0.0007308600000000, 0.0000427100000000, -0.0001470900000000 ] - [ 0.0003660200000000, -0.0002756300000000, -0.0001546100000000 ] - [ 0.0009066000000000, 0.0002738500000000, 0.0001346200000000 ] - [ -0.0000005000000000, -0.0004406800000000, 0.0000804700000000 ] - [ -0.0001470000000000, -0.0004539500000000, -0.0002383500000000 ] - [ -0.0002258800000000, -0.0000545200000000, 0.0001405100000000 ] - [ 0.0003939000000000, 0.0000095000000000, 0.0001976500000000 ] - [ 0.0000792700000000, -0.0000654900000000, 0.0001697900000000 ] - [ -0.0000097600000000, -0.0000351200000000, 0.0001832100000000 ] - [ 0.0002164800000000, 0.0002905100000000, 0.0005679400000000 ] - [ -0.0065301200000000, -0.0036638100000000, 0.0025220100000000 ] - [ 0.0032093000000000, 0.0013835400000000, -0.0019325400000000 ] - [ 0.0032204700000000, -0.0015096700000000, -0.0001285100000000 ] - [ 0.0005024400000000, -0.0004851900000000, -0.0000740200000000 ] - [ -0.0006181000000000, 0.0001839600000000, 0.0009893700000000 ] - [ -0.0000942700000000, -0.0003240600000000, -0.0000054700000000 ] - [ -0.0004556500000000, -0.0003070600000000, -0.0000556200000000 ] - [ 0.0011392700000000, -0.0007382400000000, -0.0012749700000000 ] - [ -0.0000534500000000, 0.0001134900000000, -0.0000894900000000 ] - [ -0.0000539200000000, 0.0002309400000000, 0.0003704300000000 ] - [ 0.0000304400000000, 0.0003375100000000, -0.0002519500000000 ] - [ -0.0001490600000000, -0.0000468900000000, 0.0000245900000000 ] - [ -0.0004336400000000, -0.0016095000000000, -0.0004048500000000 ] - [ -0.0037782100000000, -0.0023189800000000, 0.0134342600000000 ] - [ 0.0033714400000000, -0.0002980700000000, -0.0019027900000000 ] - [ -0.0007222000000000, -0.0014030900000000, 0.0002756400000000 ] - [ -0.0000341200000000, -0.0004819800000000, -0.0005680300000000 ] - [ 0.0006817600000000, -0.0001115100000000, -0.0004893100000000 ] - [ 0.0009092600000000, -0.0006750900000000, 0.0001493000000000 ] - [ 0.0008399000000000, 0.0016920700000000, 0.0010601000000000 ] - [ -0.0008019200000000, -0.0005713600000000, -0.0013835800000000 ] - [ 0.0002113100000000, 0.0017552200000000, 0.0004999800000000 ] - [ -0.0001571500000000, -0.0020142000000000, 0.0017586100000000 ] - [ -0.0049451700000000, 0.0021081100000000, -0.0082632800000000 ] - [ 0.0024909700000000, 0.0022582900000000, 0.0031771900000000 ] - [ 0.0002742300000000, -0.0004117400000000, -0.0000788600000000 ] - [ 0.0009920900000000, -0.0001326500000000, -0.0003603800000000 ] - [ -0.0001540300000000, -0.0003287600000000, -0.0000628500000000 ] - [ -0.0189720600000000, 0.0064500700000000, -0.0050482300000000 ] - [ -0.0012545500000000, 0.0005328400000000, -0.0006956700000000 ] - [ 0.0012539500000000, -0.0004335300000000, -0.0002036700000000 ] - [ -0.0002337400000000, -0.0008665400000000, 0.0001603400000000 ] - [ -0.0152437000000000, 0.0068740400000000, -0.0078123500000000 ] - [ -0.0001242500000000, -0.0003422100000000, 0.0000145900000000 ] - [ -0.0000518500000000, 0.0001099900000000, -0.0003527200000000 ] - [ -0.0004674100000000, 0.0008102500000000, 0.0005290900000000 ] - [ 0.0001106100000000, -0.0007441000000000, 0.0005586700000000 ] - [ 0.0015723600000000, -0.0000355100000000, -0.0004516500000000 ] - [ 0.0026770400000000, 0.0019222500000000, 0.0009748700000000 ] - [ 0.0003153700000000, -0.0004055600000000, -0.0000752400000000 ] - [ 0.0002914500000000, -0.0001536200000000, 0.0004258900000000 ] - [ 0.0000820900000000, 0.0001530600000000, -0.0001722000000000 ] - [ -0.0014506600000000, 0.0015688900000000, -0.0024798200000000 ] - [ 0.0000905700000000, -0.0009539600000000, 0.0000177200000000 ] - [ -0.1719100600000000, 0.0848110600000000, -0.0054047500000000 ] - [ 0.0000414400000000, -0.0000429600000000, -0.0001199100000000 ] - [ -0.0021886200000000, 0.0023653000000000, -0.0002759300000000 ] - [ 0.0000673400000000, -0.0000745400000000, -0.0000634300000000 ] - [ 0.0010141600000000, 0.0001824100000000, 0.0000452000000000 ] - [ 0.0000853500000000, -0.0000148200000000, 0.0000377100000000 ] - [ 0.0019731000000000, 0.0012187900000000, -0.0008408600000000 ] - [ -0.0010758900000000, 0.0047294200000000, 0.0006957500000000 ] - [ -0.0004576600000000, -0.0008401800000000, -0.0000565000000000 ] - [ 0.0072288800000000, 0.0048344200000000, -0.0033418300000000 ] - [ -0.0003867800000000, 0.0005548300000000, 0.0005033900000000 ] - [ -0.0000701400000000, -0.0002064200000000, -0.0002261700000000 ] - [ 0.0000645900000000, 0.0002977600000000, -0.0002650000000000 ] - [ 0.0014710700000000, -0.0019213200000000, -0.0020757900000000 ] - [ 0.0003064100000000, 0.0008195500000000, -0.0002911300000000 ] - [ -0.0002489100000000, -0.0001435200000000, 0.0003085600000000 ] - [ 0.0005574100000000, -0.0000064800000000, -0.0000042700000000 ] - [ -0.0002476900000000, -0.0006213700000000, 0.0004203700000000 ] - [ -0.0000507800000000, 0.0002556500000000, 0.0014769800000000 ] - [ 0.0002912300000000, 0.0007093500000000, 0.0018641300000000 ] - [ -0.0001348600000000, -0.0000672700000000, 0.0002668600000000 ] - [ 0.0029205600000000, -0.0017252100000000, -0.0000888700000000 ] - [ -0.0000497100000000, 0.0007540800000000, -0.0003995700000000 ] - [ 0.0001896900000000, -0.0003090800000000, 0.0000869200000000 ] - [ -0.0017461000000000, -0.0009591400000000, 0.0003435600000000 ] - [ -0.0001665900000000, 0.0003694700000000, -0.0000693200000000 ] - [ -0.0000698200000000, 0.0000621300000000, 0.0002462000000000 ] - [ -0.0003866300000000, -0.0005921500000000, 0.0003038500000000 ] - [ -0.0004160000000000, 0.0006198700000000, 0.0000485200000000 ] - [ 0.0007409800000000, 0.0008874100000000, 0.0003823800000000 ] - [ -0.0002294000000000, -0.0003730000000000, -0.0019396300000000 ] - [ 0.0002511900000000, -0.0002172500000000, -0.0005652000000000 ] - [ 0.2731029800000000, -0.1476413600000000, 0.0438412800000000 ] - [ -0.0001218300000000, -0.0000089600000000, -0.0011320100000000 ] - [ 0.0001291400000000, 0.0002786800000000, -0.0000701900000000 ] - [ 0.0001033200000000, 0.0002332800000000, 0.0000589700000000 ] - [ 0.0004747200000000, 0.0002000300000000, 0.0003160200000000 ] - [ -0.0049886200000000, -0.0022152100000000, -0.0002156100000000 ] - [ 0.0004383600000000, -0.0002172900000000, 0.0000330300000000 ] - [ 0.0000095600000000, -0.0004077200000000, 0.0001918400000000 ] - [ 0.0000124600000000, -0.0003633100000000, -0.0001861600000000 ] - [ 0.0023655500000000, 0.0012685200000000, 0.0001447700000000 ] - [ 0.0017702300000000, -0.0000979700000000, 0.0022677200000000 ] - [ -0.0002786900000000, 0.0001987800000000, 0.0003244600000000 ] - [ -0.0000834500000000, 0.0005870500000000, -0.0000399500000000 ] - [ 0.0000900000000000, -0.0000055700000000, -0.0007845600000000 ] - [ -0.0002533100000000, 0.0002180000000000, -0.0001101400000000 ] - [ -0.0001198500000000, -0.0001928300000000, 0.0005499100000000 ] - [ -0.0031795000000000, -0.0012337800000000, -0.0017122200000000 ] - [ 0.0025861900000000, -0.0016330700000000, 0.0004327300000000 ] - [ -0.0002939600000000, 0.0001957700000000, 0.0000138100000000 ] - [ -0.0003275900000000, 0.0002286100000000, -0.0000502600000000 ] - [ 0.0001588700000000, 0.0004141600000000, -0.0005904400000000 ] - [ 0.0000064200000000, 0.0001289200000000, -0.0001500500000000 ] - [ -0.0001060600000000, 0.0006323700000000, 0.0005091700000000 ] - [ -0.0000245800000000, -0.0002253800000000, 0.0003437000000000 ] - [ 0.0052095100000000, 0.0078508800000000, 0.0027817700000000 ] - [ 0.0007189500000000, 0.0000115400000000, 0.0008728400000000 ] - [ -0.0008422500000000, -0.0005957400000000, 0.0012474800000000 ] - [ -0.0004065600000000, -0.0000395400000000, 0.0000246600000000 ] - [ -0.0013836400000000, -0.0026403300000000, 0.0004561100000000 ] - [ 0.0003625300000000, 0.0002463800000000, 0.0000820300000000 ] - [ 0.0010304700000000, -0.0042891100000000, -0.0038613900000000 ] - [ 0.0000904000000000, 0.0004267200000000, -0.0002415700000000 ] - [ -0.0000767500000000, -0.0002781900000000, 0.0001872900000000 ] - [ 0.0001951600000000, 0.0023034700000000, -0.0010414800000000 ] - [ -0.0046407200000000, 0.0011098900000000, -0.0031476100000000 ] - [ 0.0003458000000000, -0.0027864900000000, -0.0010904800000000 ] - [ 0.0001146400000000, -0.0002565600000000, 0.0000511200000000 ] - [ 0.0007377700000000, -0.0008945900000000, -0.0001458700000000 ] - [ -0.0001370300000000, 0.0001225000000000, 0.0000048200000000 ] - [ -0.0003578600000000, 0.0000690800000000, -0.0000585200000000 ] - [ -0.0489429000000000, 0.0233983200000000, -0.0454237500000000 ] - [ 0.0005545900000000, 0.0002556900000000, 0.0001132500000000 ] - [ -0.0014940100000000, -0.0005698800000000, -0.0000380800000000 ] - [ -0.0004987400000000, -0.0002677300000000, -0.0010094000000000 ] - [ -0.0140035100000000, -0.0029233300000000, -0.0016178500000000 ] - [ 0.0000596900000000, -0.0017713600000000, -0.0006318500000000 ] - [ 0.0001417500000000, 0.0010970700000000, -0.0001397000000000 ] - [ 0.0041110300000000, -0.0011320600000000, 0.0010981300000000 ] - [ -0.0006232400000000, -0.0002458000000000, 0.0007608100000000 ] - [ 0.0036464800000000, 0.0005295600000000, -0.0018301900000000 ] - [ -0.0003800000000000, 0.0006496900000000, 0.0000840000000000 ] - [ -0.0009618800000000, 0.0014721300000000, -0.0003427300000000 ] - [ -0.0003522500000000, 0.0004054800000000, 0.0002120000000000 ] - [ -0.0000813200000000, -0.0002576600000000, 0.0001401500000000 ] - [ -0.0002244300000000, 0.0001154600000000, -0.0000644400000000 ] - [ 0.0000985300000000, 0.0006809400000000, -0.0002607800000000 ] - [ 0.0003072000000000, -0.0002334900000000, 0.0002770000000000 ] - [ -0.0004485200000000, 0.0005688000000000, 0.0001657200000000 ] - [ 0.0002839900000000, 0.0002284100000000, -0.0001224700000000 ] - [ 0.0000279300000000, -0.0000111500000000, 0.0002262200000000 ] - [ -0.0026745100000000, -0.0005131900000000, -0.0000460600000000 ] - [ -0.0016273100000000, -0.0008642500000000, -0.0002859000000000 ] - [ -0.0007653800000000, 0.0036062500000000, 0.0006052600000000 ] - [ -0.0004420200000000, 0.0013034800000000, 0.0021439900000000 ] - [ 0.0001680000000000, 0.0003086700000000, -0.0004122200000000 ] - [ -0.0009907800000000, -0.0005096200000000, -0.0002522000000000 ] - [ 0.0002550400000000, 0.0004452100000000, 0.0009276200000000 ] - [ -0.0001669700000000, 0.0005709000000000, -0.0000972400000000 ] - [ -0.0002717600000000, 0.0003740400000000, 0.0001468500000000 ] - [ -0.0010799600000000, -0.0001052600000000, 0.0014542100000000 ] - [ -0.0001736200000000, 0.0003898100000000, -0.0000962000000000 ] - [ 0.0003657600000000, -0.0018908200000000, -0.0003321400000000 ] - [ -0.0000230600000000, 0.0000981700000000, -0.0001169100000000 ] - [ -0.0031141500000000, -0.0012236600000000, 0.0029353600000000 ] - [ 0.0035687700000000, -0.0030428700000000, 0.0030329400000000 ] - [ -0.0009895000000000, 0.0001194500000000, -0.0001469500000000 ] - [ 0.0008041100000000, -0.0007726000000000, -0.0042431900000000 ] - [ 0.0000391200000000, -0.0004914600000000, -0.0004797700000000 ] - [ -0.0106628900000000, 0.0289524800000000, 0.0206211800000000 ] - [ -0.0005642500000000, -0.0005154400000000, 0.0015815000000000 ] - [ -0.0012241100000000, -0.0015567200000000, -0.0019213700000000 ] - [ 0.0000414700000000, 0.0001241900000000, 0.0000117000000000 ] - [ 0.0003966100000000, -0.0001467400000000, -0.0001116700000000 ] - [ -0.0005520800000000, 0.0005769700000000, 0.0000010400000000 ] - [ 0.0003869700000000, 0.0001934600000000, -0.0001107500000000 ] - [ -0.0001864900000000, 0.0004460300000000, -0.0001941700000000 ] - [ -0.0003931400000000, -0.0001077300000000, -0.0005364400000000 ] - [ 0.0005516300000000, -0.0001975800000000, 0.0001662400000000 ] - [ 0.0001887900000000, -0.0000494300000000, -0.0001218000000000 ]- atom: 88 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000729100000000, 0.0003811500000000, 0.0002085800000000 ] - [ -0.0009710500000000, -0.0010932400000000, 0.0007336800000000 ] - [ 0.0003638900000000, -0.0006014600000000, -0.0001216100000000 ] - [ -0.0000138800000000, -0.0004916400000000, -0.0000580300000000 ] - [ -0.0000042000000000, -0.0005602800000000, -0.0001262600000000 ] - [ -0.0000177800000000, -0.0010732100000000, -0.0001691200000000 ] - [ -0.0002039900000000, -0.0001243000000000, 0.0001598400000000 ] - [ 0.0004309900000000, -0.0002295200000000, 0.0001805300000000 ] - [ 0.0000649800000000, -0.0000368400000000, -0.0000981100000000 ] - [ -0.0000670500000000, -0.0002810100000000, 0.0000338200000000 ] - [ 0.0000337600000000, 0.0005160100000000, 0.0001940400000000 ] - [ 0.0040223500000000, 0.0065337500000000, -0.0031551300000000 ] - [ 0.0003189200000000, 0.0024950600000000, -0.0001654500000000 ] - [ 0.0021819900000000, -0.0007992700000000, 0.0009189900000000 ] - [ 0.0004934900000000, -0.0006837700000000, 0.0001705000000000 ] - [ -0.0003486300000000, 0.0008722200000000, 0.0005359400000000 ] - [ -0.0000095100000000, -0.0006700800000000, -0.0001715200000000 ] - [ -0.0004649900000000, -0.0005882500000000, -0.0001165200000000 ] - [ 0.0005890900000000, 0.0008712000000000, -0.0005745100000000 ] - [ 0.0000255900000000, -0.0000765100000000, -0.0002799300000000 ] - [ 0.0002683300000000, 0.0005937700000000, -0.0005312000000000 ] - [ -0.0000882500000000, -0.0001774200000000, -0.0001403800000000 ] - [ -0.0003128900000000, -0.0005274800000000, 0.0001170800000000 ] - [ 0.0000632600000000, -0.0025572100000000, -0.0004470300000000 ] - [ -0.0002752500000000, 0.0009915700000000, 0.0069108500000000 ] - [ 0.0002756100000000, 0.0014159100000000, 0.0009905900000000 ] - [ -0.0002745000000000, -0.0025008000000000, 0.0005990100000000 ] - [ -0.0000740500000000, -0.0015624200000000, -0.0006584300000000 ] - [ -0.0000460300000000, -0.0000574900000000, 0.0006343000000000 ] - [ 0.0003695200000000, -0.0009866500000000, 0.0001851700000000 ] - [ -0.0011226100000000, 0.0006427900000000, -0.0007888400000000 ] - [ 0.0009341300000000, -0.0009780100000000, -0.0030585200000000 ] - [ -0.0002639000000000, 0.0030769800000000, 0.0003583000000000 ] - [ 0.0003500900000000, -0.0017814900000000, 0.0022844800000000 ] - [ -0.0023854100000000, 0.0049498100000000, -0.0120931000000000 ] - [ 0.0005778200000000, 0.0031601600000000, -0.0004548300000000 ] - [ 0.0003465500000000, -0.0012764800000000, -0.0001986800000000 ] - [ 0.0004769800000000, 0.0010843100000000, -0.0006949500000000 ] - [ -0.0003174300000000, -0.0020502900000000, -0.0002679700000000 ] - [ -0.0026117100000000, 0.0135963500000000, -0.0018664200000000 ] - [ -0.0004649400000000, -0.0012355800000000, 0.0011282800000000 ] - [ 0.0011943000000000, -0.0012278100000000, -0.0004348000000000 ] - [ -0.0001648000000000, -0.0017376500000000, 0.0004234100000000 ] - [ -0.0073222500000000, 0.0252163800000000, -0.0110727800000000 ] - [ -0.0001703700000000, -0.0013104800000000, 0.0000730400000000 ] - [ 0.0000257700000000, -0.0013856600000000, -0.0004986600000000 ] - [ -0.0006591000000000, -0.0009590300000000, -0.0004140100000000 ] - [ 0.0000521400000000, -0.0016071500000000, 0.0005587900000000 ] - [ 0.0014945500000000, 0.0006862600000000, -0.0008108300000000 ] - [ -0.0003649700000000, 0.0030729700000000, 0.0007430200000000 ] - [ 0.0000837600000000, -0.0006027900000000, 0.0002913700000000 ] - [ 0.0004911800000000, -0.0003933000000000, 0.0000415000000000 ] - [ 0.0001901800000000, -0.0006379100000000, -0.0004034400000000 ] - [ 0.0000310400000000, 0.0049763500000000, -0.0018941600000000 ] - [ 0.0001011800000000, -0.0015967400000000, -0.0000111300000000 ] - [ -0.0812368600000000, 0.1094124500000000, 0.0000254100000000 ] - [ -0.0000567000000000, -0.0006082400000000, -0.0000948000000000 ] - [ -0.0019803500000000, -0.0001986900000000, 0.0005940000000000 ] - [ -0.0000377400000000, -0.0008235100000000, -0.0000777400000000 ] - [ -0.0003465700000000, -0.0007998800000000, 0.0001103900000000 ] - [ 0.0001060900000000, -0.0001571400000000, -0.0004788300000000 ] - [ -0.0011650500000000, -0.0007557700000000, 0.0009450600000000 ] - [ -0.0017050500000000, 0.0011413900000000, -0.0008025300000000 ] - [ -0.0002312900000000, -0.0015177200000000, -0.0003259900000000 ] - [ 0.0019506900000000, 0.0015537700000000, -0.0015389500000000 ] - [ 0.0004730500000000, -0.0015066000000000, -0.0006723700000000 ] - [ 0.0003158900000000, -0.0009894400000000, -0.0001897800000000 ] - [ -0.0001147300000000, -0.0000033500000000, -0.0001507600000000 ] - [ 0.0091127200000000, -0.0039245400000000, 0.0002317200000000 ] - [ 0.0007538600000000, 0.0019007000000000, -0.0007520800000000 ] - [ -0.0006495600000000, -0.0005772900000000, 0.0006200300000000 ] - [ 0.0004312400000000, 0.0000084200000000, -0.0000972500000000 ] - [ -0.0004703600000000, -0.0009303600000000, 0.0004868100000000 ] - [ -0.0006564400000000, 0.0004287100000000, 0.0007470400000000 ] - [ -0.0002157100000000, 0.0006074000000000, 0.0002988500000000 ] - [ 0.0001018300000000, 0.0004612500000000, -0.0001573000000000 ] - [ 0.0023768800000000, -0.0006225300000000, -0.0003829300000000 ] - [ -0.0008366000000000, -0.0025668700000000, -0.0000128500000000 ] - [ 0.0000173300000000, -0.0010679000000000, 0.0000514100000000 ] - [ -0.0000870900000000, -0.0010759200000000, 0.0001074700000000 ] - [ 0.0001412000000000, 0.0008421200000000, 0.0001318000000000 ] - [ -0.0001122800000000, 0.0004124500000000, 0.0006793000000000 ] - [ -0.0005748700000000, -0.0014015500000000, 0.0001612900000000 ] - [ -0.0006590400000000, 0.0011296400000000, 0.0002329000000000 ] - [ 0.0001454800000000, 0.0010597400000000, 0.0003568500000000 ] - [ 0.0002597000000000, -0.0006385600000000, -0.0000856800000000 ] - [ 0.0006685200000000, -0.0006386100000000, -0.0003828200000000 ] - [ 0.1490942400000000, -0.1822264100000000, 0.0151495700000000 ] - [ -0.0000888700000000, -0.0000395400000000, -0.0007814100000000 ] - [ 0.0001006800000000, 0.0006087200000000, -0.0001529200000000 ] - [ 0.0002010500000000, 0.0006285800000000, 0.0001613300000000 ] - [ -0.0000033500000000, 0.0021705100000000, 0.0004555000000000 ] - [ -0.0020696400000000, -0.0007935100000000, 0.0007498700000000 ] - [ 0.0003812700000000, 0.0008041700000000, 0.0006271700000000 ] - [ -0.0000439600000000, 0.0004728900000000, 0.0001722000000000 ] - [ 0.0001624200000000, 0.0003011100000000, -0.0001478700000000 ] - [ -0.0000485500000000, 0.0012232500000000, -0.0010023700000000 ] - [ -0.0015846000000000, -0.0021343500000000, 0.0035388100000000 ] - [ -0.0001785000000000, 0.0006650300000000, 0.0000710200000000 ] - [ -0.0003687400000000, 0.0012420800000000, -0.0000741200000000 ] - [ 0.0000722600000000, 0.0002806800000000, -0.0000796200000000 ] - [ -0.0003715600000000, 0.0008710700000000, -0.0003191500000000 ] - [ 0.0000758900000000, -0.0009265200000000, 0.0005420400000000 ] - [ -0.0008820300000000, -0.0023898600000000, -0.0009413300000000 ] - [ 0.0019012100000000, -0.0004036000000000, 0.0011990100000000 ] - [ -0.0003783600000000, 0.0004909500000000, 0.0001665500000000 ] - [ -0.0002090000000000, 0.0005622600000000, -0.0001655200000000 ] - [ 0.0001423700000000, 0.0006466800000000, -0.0004514300000000 ] - [ -0.0002373400000000, 0.0005031600000000, 0.0000246600000000 ] - [ -0.0002074400000000, 0.0013587200000000, 0.0004864800000000 ] - [ -0.0002979600000000, -0.0003441600000000, 0.0010999800000000 ] - [ -0.0077198100000000, 0.0245591900000000, -0.0020770800000000 ] - [ 0.0003257100000000, -0.0005301800000000, 0.0018156600000000 ] - [ -0.0009406000000000, -0.0018115300000000, 0.0017669700000000 ] - [ -0.0003042800000000, -0.0000398900000000, 0.0002747700000000 ] - [ 0.0036999500000000, 0.0007530100000000, -0.0004232000000000 ] - [ 0.0004859000000000, 0.0006652800000000, 0.0001355500000000 ] - [ 0.0019316000000000, -0.0036535600000000, 0.0015125500000000 ] - [ -0.0000607500000000, 0.0009049800000000, -0.0004283400000000 ] - [ 0.0002681500000000, 0.0005071800000000, -0.0000167400000000 ] - [ -0.0004543200000000, 0.0010562200000000, -0.0006900500000000 ] - [ -0.0048073000000000, -0.0002539600000000, -0.0029092600000000 ] - [ 0.0004325100000000, 0.0038498100000000, 0.0018439500000000 ] - [ 0.0007679400000000, 0.0012276300000000, 0.0001552300000000 ] - [ 0.0012727300000000, -0.0005986900000000, -0.0005842700000000 ] - [ -0.0001080700000000, 0.0004449000000000, 0.0000845300000000 ] - [ -0.0006123200000000, -0.0002203100000000, 0.0002322700000000 ] - [ -0.0241584300000000, -0.0128028900000000, -0.0154916200000000 ] - [ 0.0007308500000000, 0.0008329800000000, 0.0002118100000000 ] - [ 0.0004258600000000, -0.0010187400000000, -0.0000331300000000 ] - [ -0.0001395100000000, -0.0001887900000000, 0.0000487100000000 ] - [ -0.0035998700000000, -0.0048855400000000, 0.0008426200000000 ] - [ 0.0007568200000000, -0.0007132700000000, 0.0000990400000000 ] - [ 0.0000722800000000, 0.0018247200000000, -0.0000413400000000 ] - [ 0.0007464700000000, -0.0040160200000000, 0.0000102900000000 ] - [ 0.0007813000000000, 0.0007436000000000, -0.0008958600000000 ] - [ 0.0020482700000000, 0.0003850200000000, -0.0018053100000000 ] - [ -0.0002275200000000, 0.0009565000000000, -0.0001981600000000 ] - [ -0.0007440900000000, 0.0006547000000000, -0.0004970700000000 ] - [ -0.0003065400000000, 0.0008573500000000, 0.0003490300000000 ] - [ 0.0000173800000000, 0.0002189900000000, -0.0000642100000000 ] - [ -0.0001226400000000, 0.0004864700000000, -0.0000393500000000 ] - [ 0.0000868500000000, 0.0013682200000000, -0.0001201200000000 ] - [ -0.0005997600000000, 0.0011955800000000, 0.0003026700000000 ] - [ -0.0001747400000000, 0.0012279800000000, 0.0003173100000000 ] - [ 0.0006823700000000, 0.0008839200000000, -0.0003402400000000 ] - [ -0.0000317200000000, 0.0001495900000000, -0.0001624500000000 ] - [ -0.0021175900000000, -0.0013809500000000, 0.0001280500000000 ] - [ -0.0012787900000000, -0.0007741100000000, 0.0000822300000000 ] - [ -0.0029978100000000, 0.0017974100000000, -0.0024600400000000 ] - [ -0.0029272000000000, 0.0030122000000000, 0.0033520900000000 ] - [ 0.0002250800000000, 0.0006080800000000, -0.0005047100000000 ] - [ 0.0008009800000000, 0.0001663000000000, -0.0000606800000000 ] - [ -0.0008165800000000, -0.0014787500000000, 0.0002573200000000 ] - [ 0.0000161700000000, 0.0009789400000000, -0.0003034400000000 ] - [ -0.0000520600000000, 0.0009172100000000, 0.0001639800000000 ] - [ -0.0013008700000000, 0.0000150000000000, 0.0020021000000000 ] - [ 0.0001030300000000, 0.0004831100000000, -0.0003460300000000 ] - [ 0.0003894600000000, 0.0014257900000000, -0.0002584100000000 ] - [ 0.0001770400000000, 0.0006793400000000, -0.0000586200000000 ] - [ -0.0000223600000000, -0.0014255500000000, 0.0002721800000000 ] - [ 0.0029233500000000, -0.0040799300000000, -0.0055145900000000 ] - [ -0.0000437300000000, 0.0001446900000000, -0.0002023600000000 ] - [ 0.0004716800000000, -0.0006839800000000, -0.0016430600000000 ] - [ 0.0002044600000000, -0.0009066700000000, -0.0000845700000000 ] - [ -0.0342388200000000, 0.0222159800000000, 0.0259012500000000 ] - [ 0.0003873200000000, 0.0001568700000000, -0.0004176400000000 ] - [ 0.0022659900000000, -0.0027665300000000, 0.0005633900000000 ] - [ 0.0001404700000000, 0.0005188000000000, -0.0000255600000000 ] - [ 0.0004595700000000, 0.0004757500000000, -0.0000579100000000 ] - [ -0.0005997700000000, 0.0011163600000000, -0.0000795700000000 ] - [ -0.0000456300000000, 0.0009316500000000, -0.0001878300000000 ] - [ -0.0001996500000000, 0.0010082600000000, -0.0002574100000000 ] - [ -0.0003240700000000, -0.0004454800000000, -0.0003949100000000 ] - [ 0.0001741200000000, 0.0004142500000000, 0.0002825900000000 ] - [ 0.0000211300000000, -0.0005437000000000, 0.0000621000000000 ]- atom: 88 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001147000000000, -0.0005957700000000, -0.0000231600000000 ] - [ 0.0008387800000000, 0.0015296800000000, -0.0007832900000000 ] - [ 0.0002537900000000, 0.0005908500000000, -0.0000231900000000 ] - [ 0.0001087700000000, -0.0001737200000000, 0.0003381300000000 ] - [ -0.0000884800000000, -0.0001033400000000, -0.0001538700000000 ] - [ -0.0001715700000000, 0.0008564800000000, -0.0000167800000000 ] - [ 0.0000141900000000, 0.0003393300000000, -0.0003460100000000 ] - [ 0.0004358400000000, 0.0005641100000000, 0.0000367500000000 ] - [ -0.0000072800000000, -0.0000679400000000, -0.0000146600000000 ] - [ 0.0000085000000000, 0.0003848100000000, 0.0000789500000000 ] - [ 0.0000595000000000, 0.0001476500000000, 0.0000868800000000 ] - [ -0.0040991800000000, -0.0071411500000000, 0.0033762400000000 ] - [ 0.0005591900000000, -0.0028240700000000, 0.0003752600000000 ] - [ -0.0021164000000000, 0.0008961000000000, -0.0010384100000000 ] - [ -0.0005499300000000, 0.0005791100000000, -0.0000558500000000 ] - [ -0.0002706800000000, -0.0008801200000000, -0.0003910800000000 ] - [ -0.0001184100000000, 0.0002296400000000, 0.0001154500000000 ] - [ -0.0004026400000000, 0.0002519200000000, -0.0001004600000000 ] - [ -0.0014522700000000, -0.0005312400000000, 0.0003575700000000 ] - [ 0.0001029100000000, 0.0005157100000000, 0.0003358600000000 ] - [ 0.0003499000000000, -0.0005799400000000, 0.0003830900000000 ] - [ -0.0000046600000000, 0.0008405500000000, -0.0001389200000000 ] - [ -0.0003046100000000, 0.0005367700000000, 0.0000274700000000 ] - [ 0.0001253500000000, 0.0027721300000000, 0.0006318500000000 ] - [ 0.0007829100000000, -0.0013220400000000, -0.0059204100000000 ] - [ -0.0001949100000000, -0.0018902000000000, -0.0007002400000000 ] - [ -0.0000982800000000, 0.0014707400000000, 0.0000637000000000 ] - [ -0.0004492300000000, 0.0012394300000000, -0.0002622600000000 ] - [ -0.0000201200000000, 0.0005351500000000, -0.0009190300000000 ] - [ -0.0001800600000000, 0.0012941400000000, -0.0010563300000000 ] - [ 0.0009298900000000, -0.0003255400000000, 0.0016545700000000 ] - [ -0.0008126800000000, 0.0013513600000000, 0.0031308000000000 ] - [ -0.0001056200000000, -0.0020502900000000, 0.0003042300000000 ] - [ -0.0008779000000000, 0.0021025700000000, -0.0031964200000000 ] - [ 0.0022929100000000, -0.0053523900000000, 0.0120018000000000 ] - [ -0.0003951500000000, -0.0034709300000000, -0.0004237800000000 ] - [ 0.0000516000000000, 0.0014585300000000, 0.0001128300000000 ] - [ -0.0001040500000000, -0.0021030100000000, 0.0000290500000000 ] - [ 0.0002461700000000, 0.0015718100000000, -0.0000216100000000 ] - [ 0.0032874800000000, -0.0133120300000000, 0.0022874400000000 ] - [ 0.0003436800000000, 0.0016089900000000, -0.0012185200000000 ] - [ -0.0006728100000000, 0.0015474400000000, 0.0013544300000000 ] - [ 0.0002813600000000, 0.0013618000000000, -0.0003339600000000 ] - [ 0.0065006700000000, -0.0248280400000000, 0.0106354300000000 ] - [ -0.0002267100000000, 0.0011242200000000, 0.0000128800000000 ] - [ 0.0003455900000000, 0.0024083100000000, -0.0001633500000000 ] - [ 0.0007286900000000, 0.0014289900000000, 0.0007046000000000 ] - [ -0.0002382000000000, 0.0012923000000000, 0.0003135600000000 ] - [ -0.0018164400000000, -0.0011624400000000, 0.0007608600000000 ] - [ 0.0004353100000000, -0.0026568600000000, -0.0005694000000000 ] - [ 0.0003659200000000, 0.0006707300000000, -0.0009860500000000 ] - [ -0.0001970600000000, 0.0002597800000000, 0.0005007300000000 ] - [ 0.0002297100000000, 0.0012972800000000, 0.0001633300000000 ] - [ -0.0004662600000000, -0.0042889500000000, 0.0021271800000000 ] - [ 0.0002148900000000, 0.0011191700000000, 0.0000653100000000 ] - [ 0.0868800200000000, -0.1126770900000000, -0.0003638800000000 ] - [ 0.0000893600000000, 0.0012202100000000, -0.0001216100000000 ] - [ 0.0023969500000000, -0.0004257900000000, -0.0008359700000000 ] - [ -0.0000340100000000, 0.0012174000000000, -0.0000906600000000 ] - [ 0.0003193600000000, 0.0001869800000000, 0.0001058200000000 ] - [ -0.0003982300000000, 0.0002895000000000, -0.0000636300000000 ] - [ 0.0014517700000000, 0.0008843800000000, -0.0003977800000000 ] - [ 0.0016724600000000, -0.0005418900000000, 0.0010215200000000 ] - [ -0.0001887800000000, 0.0008546600000000, 0.0005647600000000 ] - [ -0.0022525200000000, -0.0016962500000000, 0.0010059400000000 ] - [ -0.0002203000000000, 0.0012493500000000, 0.0005327200000000 ] - [ -0.0005688800000000, 0.0012476500000000, 0.0003319100000000 ] - [ 0.0004144700000000, 0.0007833500000000, -0.0003040300000000 ] - [ -0.0093450900000000, 0.0047053700000000, 0.0002405300000000 ] - [ -0.0005006600000000, -0.0016414800000000, 0.0006109400000000 ] - [ 0.0001995500000000, 0.0005077400000000, 0.0000754000000000 ] - [ -0.0001142600000000, 0.0004689900000000, 0.0001503300000000 ] - [ 0.0001694200000000, 0.0001498100000000, -0.0000322900000000 ] - [ 0.0002036500000000, -0.0003587900000000, -0.0000556900000000 ] - [ 0.0006631600000000, -0.0006719900000000, -0.0009858500000000 ] - [ -0.0003543000000000, -0.0007168700000000, 0.0002953800000000 ] - [ -0.0024447200000000, 0.0002281700000000, 0.0002123300000000 ] - [ 0.0008657200000000, 0.0019478800000000, -0.0002051700000000 ] - [ 0.0000541700000000, 0.0006696400000000, 0.0001172000000000 ] - [ -0.0002388800000000, 0.0015446700000000, -0.0001611000000000 ] - [ 0.0003315900000000, -0.0000391100000000, -0.0000659200000000 ] - [ -0.0000188400000000, -0.0004300800000000, 0.0001529300000000 ] - [ 0.0000216400000000, 0.0012309100000000, 0.0003146000000000 ] - [ 0.0003854400000000, -0.0003503600000000, -0.0004735000000000 ] - [ -0.0000740600000000, -0.0011759300000000, 0.0003078600000000 ] - [ 0.0002268000000000, 0.0007087800000000, 0.0002985100000000 ] - [ -0.0001773600000000, 0.0005286200000000, 0.0001301000000000 ] - [ -0.1549223900000000, 0.1836087000000000, -0.0151050600000000 ] - [ -0.0003022300000000, -0.0000298200000000, 0.0011955200000000 ] - [ 0.0003725400000000, -0.0014100800000000, 0.0002173000000000 ] - [ 0.0000269500000000, -0.0004889500000000, 0.0001186100000000 ] - [ -0.0002746500000000, -0.0010781200000000, -0.0001058600000000 ] - [ 0.0015904200000000, 0.0013096000000000, 0.0000871700000000 ] - [ 0.0001877300000000, -0.0008305200000000, -0.0000573900000000 ] - [ -0.0001075400000000, -0.0016497100000000, 0.0001661600000000 ] - [ 0.0000571500000000, -0.0014241900000000, -0.0002198800000000 ] - [ 0.0003270400000000, -0.0004380000000000, 0.0012477900000000 ] - [ 0.0017251500000000, 0.0009473100000000, -0.0038585600000000 ] - [ -0.0002138300000000, -0.0005957500000000, 0.0003435000000000 ] - [ -0.0000198600000000, -0.0003731400000000, 0.0000160200000000 ] - [ 0.0000582700000000, -0.0002607200000000, -0.0007519100000000 ] - [ -0.0001988500000000, -0.0008412000000000, -0.0002526000000000 ] - [ 0.0004927600000000, 0.0009532500000000, 0.0000279100000000 ] - [ 0.0006504100000000, 0.0012505700000000, 0.0012977800000000 ] - [ -0.0016281000000000, -0.0006750600000000, -0.0015466700000000 ] - [ 0.0001387200000000, -0.0003990000000000, 0.0000277700000000 ] - [ -0.0002770200000000, -0.0004901100000000, -0.0000511200000000 ] - [ 0.0003409700000000, -0.0001361100000000, -0.0003822200000000 ] - [ 0.0004734000000000, -0.0005912700000000, -0.0002180100000000 ] - [ -0.0001246300000000, -0.0008143000000000, 0.0000981900000000 ] - [ -0.0000358000000000, -0.0002006600000000, -0.0005088700000000 ] - [ 0.0081684300000000, -0.0241642400000000, 0.0022392500000000 ] - [ 0.0000054300000000, 0.0010708000000000, -0.0024018700000000 ] - [ 0.0010100600000000, 0.0019407000000000, -0.0011082900000000 ] - [ -0.0001785800000000, -0.0004687300000000, 0.0005592500000000 ] - [ -0.0034455600000000, -0.0006595800000000, 0.0002250000000000 ] - [ 0.0000803000000000, -0.0005741800000000, 0.0000715100000000 ] - [ -0.0016028400000000, 0.0038033700000000, -0.0011766900000000 ] - [ -0.0002109400000000, -0.0016811800000000, 0.0001834100000000 ] - [ 0.0000562100000000, -0.0006474700000000, 0.0003488700000000 ] - [ -0.0000166700000000, -0.0002413800000000, 0.0006208500000000 ] - [ 0.0045111100000000, 0.0000172500000000, 0.0032271200000000 ] - [ -0.0007580100000000, -0.0039734500000000, -0.0021692600000000 ] - [ -0.0005445500000000, -0.0008922700000000, -0.0000376000000000 ] - [ -0.0016709700000000, -0.0002809300000000, 0.0005277500000000 ] - [ -0.0001226800000000, -0.0005806400000000, -0.0003675200000000 ] - [ 0.0005402700000000, 0.0000955900000000, -0.0008925900000000 ] - [ 0.0237413000000000, 0.0132703000000000, 0.0149893900000000 ] - [ 0.0002125100000000, -0.0006873000000000, -0.0000880900000000 ] - [ 0.0005390700000000, 0.0015996500000000, -0.0000987700000000 ] - [ -0.0003466800000000, 0.0001161800000000, -0.0002633300000000 ] - [ 0.0034013800000000, 0.0047908700000000, -0.0006468800000000 ] - [ -0.0009724800000000, 0.0003873100000000, -0.0002165800000000 ] - [ 0.0000796200000000, -0.0006458500000000, -0.0002975800000000 ] - [ -0.0016743000000000, 0.0041379200000000, -0.0001512900000000 ] - [ -0.0005064300000000, 0.0003414700000000, 0.0005515200000000 ] - [ -0.0010939300000000, -0.0005425100000000, 0.0019284800000000 ] - [ 0.0006210000000000, -0.0010210400000000, -0.0002168900000000 ] - [ 0.0009613500000000, 0.0004739300000000, 0.0001286500000000 ] - [ -0.0006315200000000, -0.0009969800000000, -0.0004713300000000 ] - [ -0.0002943000000000, -0.0013054500000000, 0.0004112000000000 ] - [ -0.0004418400000000, -0.0005732500000000, -0.0001685700000000 ] - [ -0.0001552800000000, -0.0012423400000000, -0.0005431200000000 ] - [ 0.0000477500000000, -0.0010234000000000, 0.0001712700000000 ] - [ -0.0000441600000000, -0.0001013200000000, 0.0000506400000000 ] - [ -0.0001934500000000, -0.0007754500000000, 0.0000868500000000 ] - [ -0.0002004600000000, -0.0002824200000000, 0.0005874600000000 ] - [ 0.0011474400000000, 0.0007901800000000, 0.0000048600000000 ] - [ 0.0008094300000000, -0.0000270700000000, -0.0001472600000000 ] - [ 0.0032119900000000, -0.0019543800000000, 0.0027085400000000 ] - [ 0.0031312000000000, -0.0031275000000000, -0.0037539900000000 ] - [ 0.0000074000000000, -0.0004752300000000, 0.0000801400000000 ] - [ -0.0003142300000000, -0.0006748600000000, -0.0007721000000000 ] - [ 0.0012057400000000, 0.0023413700000000, -0.0001963700000000 ] - [ -0.0005040600000000, -0.0010841700000000, 0.0005570800000000 ] - [ -0.0002235500000000, -0.0006749400000000, 0.0001676600000000 ] - [ 0.0015717500000000, -0.0007957100000000, -0.0017649800000000 ] - [ 0.0003861000000000, -0.0005499400000000, 0.0005659200000000 ] - [ -0.0000583700000000, -0.0019693700000000, -0.0003242100000000 ] - [ 0.0000986600000000, -0.0009177200000000, -0.0002726300000000 ] - [ 0.0001491200000000, 0.0014111600000000, -0.0011111200000000 ] - [ -0.0030827500000000, 0.0052132600000000, 0.0058980800000000 ] - [ -0.0001780500000000, 0.0001892400000000, 0.0000850100000000 ] - [ -0.0000762400000000, 0.0007464000000000, 0.0012057100000000 ] - [ -0.0006889900000000, 0.0010097700000000, 0.0003345000000000 ] - [ 0.0345235300000000, -0.0221837700000000, -0.0258018500000000 ] - [ -0.0005162000000000, -0.0001370200000000, 0.0012408200000000 ] - [ -0.0019756700000000, 0.0029834000000000, -0.0008874300000000 ] - [ 0.0000786400000000, -0.0008509700000000, 0.0001423100000000 ] - [ 0.0005046500000000, -0.0010616200000000, -0.0000744800000000 ] - [ -0.0003641300000000, -0.0005267900000000, 0.0002116300000000 ] - [ 0.0005974900000000, -0.0011010600000000, -0.0002853000000000 ] - [ -0.0001253200000000, -0.0008675800000000, -0.0000751700000000 ] - [ -0.0002478800000000, 0.0004167700000000, -0.0001769300000000 ] - [ 0.0002128300000000, -0.0012792200000000, -0.0002237900000000 ] - [ 0.0005314300000000, 0.0007147200000000, -0.0005333000000000 ]- atom: 88 displacement: [ -0.0035230240541542, 0.0000000000000000, 0.0093588621911988 ] forces: - [ 0.0002946900000000, 0.0003583000000000, -0.0008997800000000 ] - [ 0.0001173900000000, 0.0005317300000000, 0.0005221800000000 ] - [ 0.0003253600000000, -0.0001487700000000, 0.0000208000000000 ] - [ 0.0003451400000000, -0.0001992200000000, 0.0006877700000000 ] - [ -0.0000902900000000, -0.0003451300000000, -0.0004485000000000 ] - [ -0.0000334900000000, -0.0002339600000000, 0.0000881800000000 ] - [ -0.0000508400000000, 0.0003769900000000, -0.0005292100000000 ] - [ 0.0004132800000000, 0.0001867300000000, -0.0000410800000000 ] - [ 0.0000155300000000, -0.0000458600000000, -0.0004476100000000 ] - [ -0.0000522500000000, -0.0000010800000000, -0.0001524000000000 ] - [ -0.0001090300000000, 0.0003830500000000, -0.0003970200000000 ] - [ -0.0050510600000000, -0.0047396300000000, 0.0050209200000000 ] - [ 0.0022925600000000, 0.0006335700000000, 0.0007679800000000 ] - [ 0.0009021200000000, 0.0002758300000000, 0.0011735900000000 ] - [ -0.0001676900000000, -0.0000217700000000, 0.0003574300000000 ] - [ -0.0005820000000000, 0.0001693900000000, -0.0009522700000000 ] - [ -0.0000329400000000, -0.0003677500000000, -0.0002158400000000 ] - [ -0.0004493100000000, -0.0002363400000000, -0.0002323300000000 ] - [ 0.0002113200000000, -0.0003657300000000, 0.0003645000000000 ] - [ 0.0000754600000000, -0.0001142500000000, -0.0004400800000000 ] - [ 0.0000814900000000, -0.0002732400000000, -0.0010539900000000 ] - [ -0.0000906500000000, 0.0001882700000000, 0.0000644000000000 ] - [ -0.0002423100000000, 0.0000567000000000, 0.0001984600000000 ] - [ -0.0000735300000000, -0.0013332400000000, 0.0002509700000000 ] - [ -0.0027757200000000, 0.0030439200000000, -0.0019463300000000 ] - [ 0.0012398900000000, 0.0005204200000000, -0.0008408900000000 ] - [ -0.0005000700000000, -0.0005686500000000, 0.0009538800000000 ] - [ -0.0001999400000000, -0.0005743800000000, -0.0004089800000000 ] - [ 0.0005020400000000, 0.0011364200000000, 0.0001043600000000 ] - [ 0.0001030200000000, 0.0006033500000000, -0.0003968100000000 ] - [ -0.0010105400000000, -0.0008146700000000, -0.0000478200000000 ] - [ 0.0010084200000000, -0.0023541700000000, -0.0004706500000000 ] - [ 0.0010471400000000, 0.0010284700000000, -0.0020658400000000 ] - [ -0.0011306100000000, 0.0016995700000000, -0.0010908600000000 ] - [ 0.0005377900000000, -0.0030213900000000, -0.0088825200000000 ] - [ -0.0010526300000000, -0.0001120800000000, 0.0001811100000000 ] - [ 0.0002729500000000, -0.0001587800000000, -0.0004754200000000 ] - [ 0.0010157500000000, -0.0007815300000000, -0.0025423200000000 ] - [ -0.0001671200000000, -0.0009558400000000, -0.0002566800000000 ] - [ -0.0019658400000000, -0.0039439100000000, 0.0098236000000000 ] - [ -0.0000246700000000, 0.0015621400000000, -0.0007328300000000 ] - [ 0.0010078900000000, -0.0009839800000000, 0.0001976700000000 ] - [ 0.0001336600000000, -0.0001067300000000, 0.0000742400000000 ] - [ 0.0031132200000000, -0.0080864100000000, 0.0220375800000000 ] - [ -0.0001299700000000, -0.0000060800000000, -0.0004123300000000 ] - [ 0.0000797600000000, 0.0003360500000000, 0.0001799000000000 ] - [ -0.0005805700000000, -0.0010451900000000, 0.0000666500000000 ] - [ -0.0001253800000000, -0.0001790400000000, 0.0003777400000000 ] - [ 0.0011894400000000, -0.0004361700000000, -0.0003411400000000 ] - [ -0.0012406500000000, 0.0005686900000000, -0.0000541800000000 ] - [ 0.0004035900000000, -0.0002384100000000, 0.0006338500000000 ] - [ 0.0001670100000000, -0.0001552800000000, -0.0001479900000000 ] - [ 0.0002252400000000, 0.0003893500000000, -0.0000837800000000 ] - [ 0.0046487600000000, -0.0006722900000000, -0.0023386600000000 ] - [ 0.0000958900000000, -0.0000062200000000, 0.0000507800000000 ] - [ -0.0585697600000000, 0.0322741200000000, 0.0495657400000000 ] - [ 0.0000935200000000, 0.0004088600000000, -0.0001186900000000 ] - [ 0.0010912600000000, 0.0062113900000000, -0.0017442700000000 ] - [ -0.0000405100000000, 0.0000387100000000, -0.0000786700000000 ] - [ 0.0006797900000000, 0.0004914100000000, 0.0000638000000000 ] - [ -0.0001742200000000, -0.0000385800000000, -0.0009742400000000 ] - [ -0.0008325500000000, -0.0007994200000000, 0.0017204200000000 ] - [ -0.0017747600000000, -0.0024639000000000, 0.0002485800000000 ] - [ -0.0002291900000000, -0.0007907300000000, -0.0000599100000000 ] - [ 0.0006890800000000, 0.0000744300000000, 0.0016465800000000 ] - [ -0.0001440500000000, 0.0005920700000000, 0.0013198600000000 ] - [ -0.0000253700000000, 0.0000757700000000, 0.0004265800000000 ] - [ 0.0001197300000000, 0.0007042600000000, -0.0009334600000000 ] - [ 0.0015204800000000, -0.0000234200000000, 0.0020318400000000 ] - [ -0.0000012000000000, 0.0007921100000000, -0.0021195900000000 ] - [ -0.0002403100000000, -0.0001352200000000, 0.0007066600000000 ] - [ 0.0002888200000000, -0.0001870300000000, 0.0000566400000000 ] - [ -0.0002057500000000, -0.0003055200000000, -0.0000764100000000 ] - [ -0.0004710600000000, -0.0001412600000000, -0.0008586700000000 ] - [ -0.0000010300000000, -0.0003614300000000, -0.0022086400000000 ] - [ -0.0003306300000000, -0.0000893200000000, -0.0010572200000000 ] - [ -0.0012544600000000, 0.0008371700000000, 0.0001376900000000 ] - [ -0.0004598000000000, -0.0022418400000000, 0.0001518100000000 ] - [ 0.0000520600000000, -0.0005229400000000, 0.0000777500000000 ] - [ -0.0009903300000000, 0.0012764900000000, 0.0003381700000000 ] - [ 0.0001915900000000, 0.0007528100000000, 0.0001338600000000 ] - [ -0.0000699100000000, 0.0001268000000000, 0.0008476600000000 ] - [ -0.0003901400000000, -0.0002843800000000, 0.0017167600000000 ] - [ -0.0003908000000000, 0.0008934000000000, -0.0001084800000000 ] - [ 0.0001683800000000, -0.0009146100000000, 0.0000819400000000 ] - [ 0.0007998400000000, 0.0001210600000000, 0.0014010900000000 ] - [ -0.0000053400000000, 0.0000567500000000, 0.0006630700000000 ] - [ 0.0561757800000000, -0.0392696800000000, -0.0900073300000000 ] - [ -0.0001373600000000, -0.0000613200000000, 0.0013902100000000 ] - [ 0.0003449700000000, -0.0006956800000000, -0.0000088600000000 ] - [ 0.0001632300000000, 0.0001068100000000, 0.0004065000000000 ] - [ -0.0002680000000000, 0.0016972500000000, 0.0001464200000000 ] - [ -0.0011507900000000, -0.0001313900000000, -0.0008768300000000 ] - [ 0.0003343200000000, 0.0000787700000000, -0.0007218600000000 ] - [ -0.0001029100000000, -0.0008397700000000, 0.0003170700000000 ] - [ 0.0001645700000000, -0.0004044900000000, -0.0001757600000000 ] - [ 0.0008833000000000, -0.0012084500000000, 0.0005316200000000 ] - [ -0.0017827400000000, 0.0022572800000000, 0.0021207800000000 ] - [ -0.0001645400000000, 0.0001481200000000, -0.0001361600000000 ] - [ -0.0001947600000000, 0.0005417900000000, -0.0001102400000000 ] - [ 0.0001241400000000, 0.0002420300000000, 0.0003032600000000 ] - [ -0.0003171000000000, 0.0001627100000000, -0.0006513900000000 ] - [ 0.0003725000000000, -0.0001650200000000, 0.0022658900000000 ] - [ 0.0006922300000000, -0.0009436300000000, 0.0006731100000000 ] - [ 0.0012132000000000, 0.0011628300000000, 0.0004279300000000 ] - [ -0.0002296500000000, 0.0001184600000000, 0.0004433600000000 ] - [ -0.0002673500000000, 0.0000704300000000, -0.0003568500000000 ] - [ 0.0002808000000000, 0.0002668500000000, -0.0001667300000000 ] - [ 0.0000100200000000, 0.0000617300000000, 0.0001345300000000 ] - [ -0.0002058800000000, 0.0002351400000000, 0.0000350000000000 ] - [ -0.0002759200000000, -0.0003062600000000, 0.0011430400000000 ] - [ -0.0004908800000000, 0.0007231500000000, -0.0050821600000000 ] - [ 0.0002629800000000, -0.0000074800000000, 0.0020597200000000 ] - [ -0.0012967000000000, -0.0000835800000000, 0.0013949500000000 ] - [ -0.0001406300000000, -0.0003360000000000, 0.0008424600000000 ] - [ 0.0028356000000000, 0.0015526100000000, -0.0022146100000000 ] - [ 0.0003323000000000, 0.0000873100000000, 0.0003307200000000 ] - [ 0.0030612500000000, 0.0024909200000000, 0.0028024400000000 ] - [ -0.0001772800000000, -0.0008352300000000, -0.0001584200000000 ] - [ -0.0000197900000000, -0.0007023000000000, 0.0002544500000000 ] - [ 0.0003705100000000, -0.0003001000000000, -0.0003808000000000 ] - [ 0.0023120300000000, -0.0007675400000000, 0.0016395000000000 ] - [ 0.0001499200000000, 0.0035705400000000, 0.0011797000000000 ] - [ 0.0005702800000000, 0.0010169800000000, 0.0000338100000000 ] - [ -0.0028347200000000, -0.0026857700000000, 0.0010176200000000 ] - [ -0.0000605100000000, 0.0000407700000000, 0.0004708900000000 ] - [ -0.0004431400000000, 0.0003465300000000, 0.0000145900000000 ] - [ 0.0224191000000000, -0.0051305500000000, -0.0079306600000000 ] - [ 0.0004319900000000, 0.0001119600000000, 0.0000755800000000 ] - [ 0.0011043500000000, 0.0005054700000000, 0.0002272400000000 ] - [ 0.0001397200000000, 0.0001584600000000, 0.0008499600000000 ] - [ -0.0004880400000000, 0.0010985700000000, -0.0034882000000000 ] - [ 0.0012708900000000, 0.0008158200000000, -0.0004384200000000 ] - [ 0.0000524700000000, 0.0009034800000000, -0.0000150900000000 ] - [ -0.0004285300000000, 0.0001159700000000, 0.0068872800000000 ] - [ -0.0005709900000000, -0.0004297400000000, 0.0005556800000000 ] - [ 0.0018951600000000, -0.0028937300000000, 0.0008474000000000 ] - [ -0.0001672700000000, 0.0004900100000000, -0.0008418800000000 ] - [ 0.0004827100000000, -0.0000895900000000, -0.0001605300000000 ] - [ -0.0004623300000000, 0.0003894000000000, 0.0001558200000000 ] - [ -0.0001931200000000, -0.0008020300000000, 0.0001607400000000 ] - [ -0.0002980700000000, -0.0000479400000000, 0.0002440700000000 ] - [ -0.0000529500000000, -0.0001259500000000, -0.0004034900000000 ] - [ -0.0000347300000000, -0.0002544200000000, -0.0001932800000000 ] - [ -0.0001291700000000, 0.0008680200000000, 0.0001918100000000 ] - [ 0.0003441200000000, 0.0001541800000000, -0.0003442300000000 ] - [ -0.0001311700000000, -0.0004217400000000, 0.0009268100000000 ] - [ -0.0000275200000000, -0.0004614500000000, 0.0001453300000000 ] - [ -0.0011148500000000, -0.0001338200000000, 0.0000580000000000 ] - [ 0.0001168200000000, -0.0025326100000000, -0.0021379400000000 ] - [ 0.0000137100000000, -0.0001922300000000, -0.0017183200000000 ] - [ 0.0001130200000000, -0.0000339800000000, 0.0000548900000000 ] - [ 0.0005503400000000, 0.0001431400000000, -0.0008675800000000 ] - [ -0.0026686800000000, 0.0001085500000000, 0.0013834100000000 ] - [ -0.0001752700000000, 0.0003301400000000, -0.0003966200000000 ] - [ -0.0001171900000000, 0.0001642200000000, 0.0001835500000000 ] - [ -0.0012324300000000, 0.0006064300000000, 0.0012332500000000 ] - [ 0.0000316200000000, -0.0000962200000000, -0.0005415500000000 ] - [ 0.0001540200000000, -0.0019404800000000, -0.0010837100000000 ] - [ 0.0001651700000000, 0.0001288700000000, -0.0001001600000000 ] - [ -0.0009887300000000, 0.0002296200000000, -0.0017838300000000 ] - [ -0.0029129300000000, -0.0050664900000000, 0.0115267800000000 ] - [ -0.0005604400000000, -0.0002939400000000, 0.0000818500000000 ] - [ 0.0004701700000000, -0.0001007000000000, 0.0017099800000000 ] - [ -0.0006445600000000, 0.0002256600000000, 0.0012624200000000 ] - [ -0.0219473800000000, 0.0292335200000000, 0.0037967200000000 ] - [ 0.0001737100000000, 0.0001771700000000, -0.0011906600000000 ] - [ 0.0020201000000000, -0.0000348300000000, 0.0007486600000000 ] - [ 0.0000519100000000, -0.0003287400000000, 0.0001349600000000 ] - [ 0.0004460100000000, -0.0000483000000000, -0.0001292900000000 ] - [ -0.0004826200000000, 0.0003679700000000, 0.0000073300000000 ] - [ 0.0002219800000000, 0.0000223900000000, -0.0004891200000000 ] - [ -0.0001914600000000, -0.0000028600000000, -0.0001457400000000 ] - [ -0.0002784700000000, -0.0001988800000000, 0.0008140600000000 ] - [ 0.0002817200000000, 0.0000253700000000, 0.0000636200000000 ] - [ 0.0002247200000000, 0.0002017900000000, 0.0008908500000000 ]- atom: 88 displacement: [ 0.0035230240541542, 0.0000000000000000, -0.0093588621911988 ] forces: - [ -0.0001055300000000, -0.0005685400000000, 0.0010818000000000 ] - [ -0.0002467900000000, -0.0000921700000000, -0.0005770100000000 ] - [ 0.0002940400000000, 0.0001375000000000, -0.0001651200000000 ] - [ -0.0002494100000000, -0.0004658100000000, -0.0004067500000000 ] - [ -0.0000022300000000, -0.0003205100000000, 0.0001687300000000 ] - [ -0.0001563400000000, 0.0000182300000000, -0.0002741200000000 ] - [ -0.0001387200000000, -0.0001646400000000, 0.0003441600000000 ] - [ 0.0004547100000000, 0.0001476100000000, 0.0002590600000000 ] - [ 0.0000434500000000, -0.0000580200000000, 0.0003339100000000 ] - [ -0.0000069200000000, 0.0001039900000000, 0.0002660800000000 ] - [ 0.0002014600000000, 0.0002821000000000, 0.0006782300000000 ] - [ 0.0049903000000000, 0.0040711500000000, -0.0048639100000000 ] - [ -0.0014208300000000, -0.0009585300000000, -0.0005600600000000 ] - [ -0.0008239000000000, -0.0001862700000000, -0.0012873800000000 ] - [ 0.0001098600000000, -0.0000833900000000, -0.0002438000000000 ] - [ -0.0000352900000000, -0.0001773600000000, 0.0011002900000000 ] - [ -0.0000956800000000, -0.0000744500000000, 0.0001618100000000 ] - [ -0.0004193700000000, -0.0001003200000000, 0.0000145300000000 ] - [ -0.0010713100000000, 0.0006984300000000, -0.0005834000000000 ] - [ 0.0000530700000000, 0.0005538500000000, 0.0004930700000000 ] - [ 0.0005337900000000, 0.0002824000000000, 0.0009082500000000 ] - [ -0.0000012800000000, 0.0004760700000000, -0.0003439300000000 ] - [ -0.0003764100000000, -0.0000475100000000, -0.0000542800000000 ] - [ 0.0002619700000000, 0.0015336000000000, -0.0000670400000000 ] - [ 0.0032523100000000, -0.0033688600000000, 0.0029606100000000 ] - [ -0.0011482000000000, -0.0009904500000000, 0.0011284700000000 ] - [ 0.0001260300000000, -0.0004616100000000, -0.0002894200000000 ] - [ -0.0003233000000000, 0.0002510900000000, -0.0005103200000000 ] - [ -0.0005757600000000, -0.0006652800000000, -0.0003948600000000 ] - [ 0.0000871000000000, -0.0002943500000000, -0.0004727800000000 ] - [ 0.0008236500000000, 0.0011343300000000, 0.0009202900000000 ] - [ -0.0008907400000000, 0.0027159200000000, 0.0005553800000000 ] - [ -0.0014259200000000, 0.0000062400000000, 0.0027292000000000 ] - [ 0.0006107800000000, -0.0013850900000000, 0.0001768200000000 ] - [ -0.0006798700000000, 0.0026793700000000, 0.0087465300000000 ] - [ 0.0012445800000000, -0.0001955900000000, -0.0010524500000000 ] - [ 0.0001252400000000, 0.0003395200000000, 0.0003889100000000 ] - [ -0.0006349600000000, -0.0002432400000000, 0.0018762700000000 ] - [ 0.0000962700000000, 0.0004791500000000, -0.0000313800000000 ] - [ 0.0024703800000000, 0.0040435700000000, -0.0097094200000000 ] - [ -0.0000976600000000, -0.0011841300000000, 0.0006418100000000 ] - [ -0.0004809900000000, 0.0012986200000000, 0.0007196000000000 ] - [ -0.0000171100000000, -0.0002714000000000, 0.0000135200000000 ] - [ -0.0038400100000000, 0.0085118200000000, -0.0220702500000000 ] - [ -0.0002667200000000, -0.0001798700000000, 0.0004978800000000 ] - [ 0.0002913400000000, 0.0006861500000000, -0.0008424600000000 ] - [ 0.0006473900000000, 0.0015151400000000, 0.0002231700000000 ] - [ -0.0000606800000000, -0.0001380000000000, 0.0004939000000000 ] - [ -0.0014985100000000, -0.0000373900000000, 0.0002845200000000 ] - [ 0.0013223800000000, -0.0001553900000000, 0.0002289500000000 ] - [ 0.0000470700000000, 0.0003053400000000, -0.0013254800000000 ] - [ 0.0001270800000000, 0.0000213000000000, 0.0006909200000000 ] - [ 0.0001942300000000, 0.0002705100000000, -0.0001557800000000 ] - [ -0.0050380600000000, 0.0013276400000000, 0.0025671500000000 ] - [ 0.0002199200000000, -0.0004731200000000, 0.0000029600000000 ] - [ 0.0589361700000000, -0.0333033400000000, -0.0492908900000000 ] - [ -0.0000610000000000, 0.0002010800000000, -0.0000977000000000 ] - [ -0.0006685300000000, -0.0069019600000000, 0.0014968500000000 ] - [ -0.0000308300000000, 0.0003554900000000, -0.0000895300000000 ] - [ -0.0007050400000000, -0.0011015600000000, 0.0001519800000000 ] - [ -0.0001179800000000, 0.0001709300000000, 0.0004311600000000 ] - [ 0.0011284300000000, 0.0009325800000000, -0.0011794400000000 ] - [ 0.0017344600000000, 0.0030922300000000, -0.0000372300000000 ] - [ -0.0001917700000000, 0.0001259000000000, 0.0002981800000000 ] - [ -0.0009708500000000, -0.0002034800000000, -0.0021855000000000 ] - [ 0.0003954200000000, -0.0008487700000000, -0.0014563400000000 ] - [ -0.0002278000000000, 0.0001827200000000, -0.0002845800000000 ] - [ 0.0001803800000000, 0.0000766500000000, 0.0004762900000000 ] - [ -0.0018345300000000, 0.0008047100000000, -0.0015849300000000 ] - [ 0.0002584200000000, -0.0005235500000000, 0.0019752400000000 ] - [ -0.0002101800000000, 0.0000652600000000, -0.0000119000000000 ] - [ 0.0000286400000000, 0.0006609800000000, -0.0000024000000000 ] - [ -0.0000955900000000, -0.0004761500000000, 0.0005319100000000 ] - [ 0.0000212600000000, 0.0002099600000000, 0.0015533200000000 ] - [ 0.0004475300000000, 0.0002967400000000, 0.0015193400000000 ] - [ 0.0000760700000000, -0.0001711000000000, 0.0011969800000000 ] - [ 0.0011850600000000, -0.0012302900000000, -0.0003043300000000 ] - [ 0.0004910400000000, 0.0016269200000000, -0.0003686700000000 ] - [ 0.0000197100000000, 0.0001240500000000, 0.0000907800000000 ] - [ 0.0006624100000000, -0.0008061200000000, -0.0003902400000000 ] - [ 0.0002798000000000, 0.0000504500000000, -0.0000688200000000 ] - [ -0.0000618800000000, -0.0001446800000000, -0.0000159500000000 ] - [ -0.0001631700000000, 0.0001077200000000, -0.0012455200000000 ] - [ 0.0001178100000000, -0.0001132600000000, -0.0001340600000000 ] - [ -0.0000962700000000, 0.0007958600000000, 0.0005821000000000 ] - [ -0.0003140700000000, -0.0000525300000000, -0.0011888500000000 ] - [ 0.0004930800000000, -0.0001644200000000, -0.0009166400000000 ] - [ -0.0564010900000000, 0.0394854500000000, 0.0891883500000000 ] - [ -0.0002551000000000, -0.0000070300000000, -0.0009788000000000 ] - [ 0.0001278700000000, -0.0001040900000000, 0.0000740000000000 ] - [ 0.0000647400000000, 0.0000325800000000, -0.0001269900000000 ] - [ -0.0000082300000000, -0.0006084900000000, 0.0002014700000000 ] - [ 0.0006571900000000, 0.0006384300000000, 0.0017109800000000 ] - [ 0.0002357600000000, -0.0001053900000000, 0.0012904300000000 ] - [ -0.0000482100000000, -0.0003385900000000, 0.0000212500000000 ] - [ 0.0000543600000000, -0.0007191900000000, -0.0001920500000000 ] - [ -0.0006014800000000, 0.0019890400000000, -0.0002883500000000 ] - [ 0.0019298600000000, -0.0034168800000000, -0.0024419600000000 ] - [ -0.0002272200000000, -0.0000794900000000, 0.0005498500000000 ] - [ -0.0001925500000000, 0.0003256900000000, 0.0000512700000000 ] - [ 0.0000075500000000, -0.0002225600000000, -0.0011347000000000 ] - [ -0.0002536100000000, -0.0001335100000000, 0.0000794000000000 ] - [ 0.0001935900000000, 0.0001891300000000, -0.0016932900000000 ] - [ -0.0009277100000000, -0.0001912300000000, -0.0003197100000000 ] - [ -0.0009287600000000, -0.0022482600000000, -0.0007701300000000 ] - [ -0.0000093200000000, -0.0000267100000000, -0.0002482900000000 ] - [ -0.0002180200000000, 0.0000013300000000, 0.0001415700000000 ] - [ 0.0002006300000000, 0.0002442900000000, -0.0006680000000000 ] - [ 0.0002254500000000, -0.0001501000000000, -0.0003283800000000 ] - [ -0.0001266200000000, 0.0003089000000000, 0.0005513500000000 ] - [ -0.0000570600000000, -0.0002370300000000, -0.0005547600000000 ] - [ 0.0010818100000000, -0.0008346900000000, 0.0052970700000000 ] - [ 0.0000699800000000, 0.0005448600000000, -0.0026336900000000 ] - [ 0.0013621100000000, 0.0002007200000000, -0.0007239800000000 ] - [ -0.0003403300000000, -0.0001737700000000, -0.0000074900000000 ] - [ -0.0025890600000000, -0.0014690400000000, 0.0020135600000000 ] - [ 0.0002338400000000, 0.0000039600000000, -0.0001235500000000 ] - [ -0.0027522400000000, -0.0023782600000000, -0.0024905200000000 ] - [ -0.0000939100000000, 0.0000614700000000, -0.0000847900000000 ] - [ 0.0003439300000000, 0.0005602500000000, 0.0000777700000000 ] - [ -0.0008390800000000, 0.0011129200000000, 0.0003092600000000 ] - [ -0.0025845600000000, 0.0005246600000000, -0.0013061200000000 ] - [ -0.0004760200000000, -0.0037096500000000, -0.0015079000000000 ] - [ -0.0003485600000000, -0.0006842700000000, 0.0000833800000000 ] - [ 0.0024671900000000, 0.0018347900000000, -0.0010791000000000 ] - [ -0.0001702900000000, -0.0001767200000000, -0.0007516600000000 ] - [ 0.0003707400000000, -0.0004670300000000, -0.0006769300000000 ] - [ -0.0228696100000000, 0.0053998500000000, 0.0073268000000000 ] - [ 0.0005110300000000, 0.0000327100000000, 0.0000477800000000 ] - [ -0.0001474200000000, 0.0000757200000000, -0.0003595100000000 ] - [ -0.0006261800000000, -0.0002303400000000, -0.0010685500000000 ] - [ 0.0002434600000000, -0.0012019800000000, 0.0036650400000000 ] - [ -0.0014877100000000, -0.0011518300000000, 0.0003221500000000 ] - [ 0.0000994200000000, 0.0002767100000000, -0.0003231700000000 ] - [ -0.0004884900000000, 0.0000185200000000, -0.0068997300000000 ] - [ 0.0008443300000000, 0.0015114900000000, -0.0008998000000000 ] - [ -0.0009583800000000, 0.0027628900000000, -0.0007249900000000 ] - [ 0.0005587300000000, -0.0005525300000000, 0.0004260400000000 ] - [ -0.0002649000000000, 0.0012164900000000, -0.0002075900000000 ] - [ -0.0004751000000000, -0.0005267500000000, -0.0002770400000000 ] - [ -0.0000835600000000, -0.0002818200000000, 0.0001876900000000 ] - [ -0.0002664600000000, -0.0000396600000000, -0.0004511500000000 ] - [ -0.0000152100000000, 0.0002530000000000, -0.0002594500000000 ] - [ -0.0005161500000000, 0.0004252500000000, 0.0006664300000000 ] - [ -0.0000907100000000, 0.0002580800000000, 0.0001762200000000 ] - [ 0.0001446400000000, -0.0000468300000000, 0.0000914700000000 ] - [ -0.0001011000000000, 0.0002861300000000, -0.0005001000000000 ] - [ -0.0009389500000000, -0.0001295700000000, -0.0000124300000000 ] - [ 0.0006385600000000, -0.0006698900000000, -0.0001228200000000 ] - [ 0.0001073500000000, 0.0024148100000000, 0.0024220400000000 ] - [ 0.0002203600000000, 0.0000612900000000, 0.0012950500000000 ] - [ 0.0001193000000000, 0.0001682600000000, -0.0004796100000000 ] - [ -0.0000698600000000, -0.0006532300000000, 0.0000339600000000 ] - [ 0.0030389900000000, 0.0007540000000000, -0.0013191300000000 ] - [ -0.0003122800000000, -0.0004339100000000, 0.0006485300000000 ] - [ -0.0001595800000000, 0.0000770100000000, 0.0001479800000000 ] - [ 0.0014960700000000, -0.0013825500000000, -0.0009832700000000 ] - [ 0.0004558500000000, 0.0000294000000000, 0.0007587400000000 ] - [ 0.0001786700000000, 0.0013894400000000, 0.0004967000000000 ] - [ 0.0001110300000000, -0.0003665800000000, -0.0002308700000000 ] - [ 0.0011085400000000, -0.0002487400000000, 0.0009499800000000 ] - [ 0.0028290700000000, 0.0063245400000000, -0.0114085100000000 ] - [ 0.0003366700000000, 0.0006254400000000, -0.0001993000000000 ] - [ -0.0000705100000000, 0.0001596500000000, -0.0021454800000000 ] - [ 0.0001611600000000, -0.0001242500000000, -0.0010100000000000 ] - [ 0.0218609200000000, -0.0294341000000000, -0.0032303400000000 ] - [ -0.0003054300000000, -0.0001586000000000, 0.0020222000000000 ] - [ -0.0017441000000000, 0.0002600400000000, -0.0010893600000000 ] - [ 0.0001679200000000, -0.0000016700000000, -0.0000180200000000 ] - [ 0.0005179300000000, -0.0005373100000000, -0.0000028800000000 ] - [ -0.0004811600000000, 0.0002206100000000, 0.0001244100000000 ] - [ 0.0003306400000000, -0.0001925400000000, 0.0000161700000000 ] - [ -0.0001337100000000, 0.0001440900000000, -0.0001866000000000 ] - [ -0.0002916600000000, 0.0001712200000000, -0.0013871200000000 ] - [ 0.0001056900000000, -0.0008895800000000, -0.0000039700000000 ] - [ 0.0003282400000000, -0.0000272200000000, -0.0013604200000000 ]- atom: 89 displacement: [ 0.0099999639143206, 0.0000000000000000, -0.0000268647033593 ] forces: - [ -0.0001318900000000, 0.0000228100000000, 0.0000664500000000 ] - [ -0.0002325300000000, 0.0000779300000000, -0.0004404600000000 ] - [ 0.0002448500000000, 0.0000592900000000, -0.0000528900000000 ] - [ 0.0000459700000000, -0.0003135200000000, 0.0001843100000000 ] - [ 0.0065511100000000, -0.0027535000000000, 0.0013762400000000 ] - [ -0.0001187500000000, -0.0000722300000000, -0.0000478000000000 ] - [ 0.0006358400000000, -0.0011158000000000, -0.0016668500000000 ] - [ 0.0004155400000000, 0.0003314400000000, 0.0000436900000000 ] - [ 0.0000423000000000, -0.0000305400000000, -0.0000936600000000 ] - [ 0.0020523300000000, -0.0002039800000000, 0.0002086200000000 ] - [ 0.0002639900000000, 0.0005277100000000, 0.0001095000000000 ] - [ 0.0000440800000000, -0.0001742100000000, 0.0001271700000000 ] - [ 0.0001493000000000, -0.0002686500000000, 0.0001052000000000 ] - [ 0.0000237300000000, 0.0000845900000000, 0.0000076900000000 ] - [ -0.0000817400000000, 0.0001810300000000, 0.0005654600000000 ] - [ 0.0019648200000000, 0.0007073000000000, -0.0009207600000000 ] - [ -0.0006710400000000, -0.0000203400000000, -0.0002010700000000 ] - [ -0.0001810300000000, -0.0001608400000000, -0.0001521800000000 ] - [ -0.0004572500000000, 0.0000240300000000, 0.0003725800000000 ] - [ 0.0000489300000000, 0.0003592100000000, -0.0000042100000000 ] - [ -0.0005116800000000, -0.0010836200000000, -0.0010282100000000 ] - [ -0.0000822300000000, 0.0004101600000000, -0.0001087300000000 ] - [ -0.0003151600000000, 0.0000637400000000, 0.0001220600000000 ] - [ 0.0000910700000000, 0.0001617900000000, 0.0000834800000000 ] - [ 0.0004071900000000, -0.0001139900000000, 0.0004084100000000 ] - [ 0.0000942500000000, 0.0005737400000000, 0.0011103300000000 ] - [ -0.0001878000000000, -0.0003275700000000, 0.0003167800000000 ] - [ -0.0001825500000000, -0.0004417400000000, 0.0000449400000000 ] - [ -0.0042953800000000, 0.0002574200000000, 0.0001750100000000 ] - [ 0.0002022000000000, 0.0003975200000000, -0.0003875400000000 ] - [ 0.0022264600000000, -0.0007700800000000, -0.0003978500000000 ] - [ -0.0012206700000000, -0.0003481700000000, 0.0000838100000000 ] - [ -0.0027350200000000, 0.0002449900000000, -0.0003662400000000 ] - [ 0.0113797800000000, -0.0005393400000000, -0.0050565500000000 ] - [ -0.0001267200000000, 0.0004217900000000, -0.0005156500000000 ] - [ 0.0000697400000000, -0.0014884400000000, -0.0003311400000000 ] - [ -0.0004080100000000, 0.0003275700000000, -0.0001456300000000 ] - [ -0.0060981700000000, 0.0033949100000000, 0.0039792300000000 ] - [ 0.0001016700000000, 0.0001623600000000, -0.0007844800000000 ] - [ -0.0000710700000000, -0.0006633500000000, -0.0000067600000000 ] - [ -0.0001800700000000, 0.0004003800000000, -0.0000074800000000 ] - [ 0.0001100700000000, 0.0003181700000000, 0.0004564900000000 ] - [ -0.0003947300000000, -0.0011316400000000, -0.0010263000000000 ] - [ 0.0018635500000000, -0.0000558500000000, -0.0003211400000000 ] - [ -0.0002504600000000, -0.0001737400000000, 0.0001309500000000 ] - [ 0.0003581300000000, 0.0006670600000000, -0.0003219600000000 ] - [ 0.0001885900000000, 0.0003901600000000, 0.0000854500000000 ] - [ -0.0004082400000000, 0.0009885900000000, 0.0011459500000000 ] - [ -0.0003947800000000, -0.0001231900000000, -0.0000333200000000 ] - [ 0.0016356100000000, 0.0004823400000000, 0.0002882500000000 ] - [ 0.0002847500000000, 0.0000747900000000, -0.0003049700000000 ] - [ -0.0005040200000000, 0.0006484200000000, 0.0000418600000000 ] - [ -0.0000091800000000, 0.0004409400000000, -0.0000472600000000 ] - [ -0.0012785100000000, -0.0001357000000000, 0.0004699300000000 ] - [ 0.0027019400000000, -0.0004797200000000, -0.0000656600000000 ] - [ 0.0001777100000000, -0.0004384400000000, -0.0003267800000000 ] - [ -0.0019242100000000, 0.0003154300000000, 0.0000969900000000 ] - [ -0.0021393800000000, 0.0014143100000000, -0.0003097700000000 ] - [ 0.0001134600000000, 0.0002829900000000, -0.0000778900000000 ] - [ -0.0000232700000000, -0.0000606400000000, 0.0001262200000000 ] - [ -0.0001107800000000, 0.0000872000000000, -0.0003064000000000 ] - [ -0.0000880800000000, -0.0001184500000000, 0.0004852200000000 ] - [ 0.0001781000000000, 0.0003754400000000, 0.0000759200000000 ] - [ -0.0001837000000000, -0.0003907700000000, 0.0000778000000000 ] - [ -0.0002864800000000, -0.0002404200000000, 0.0002441100000000 ] - [ 0.0000964000000000, -0.0000242000000000, 0.0000059800000000 ] - [ -0.0001401700000000, 0.0000608300000000, -0.0001033500000000 ] - [ 0.0000771800000000, 0.0004600400000000, -0.0003510400000000 ] - [ 0.0008460800000000, 0.0004686900000000, 0.0010593000000000 ] - [ 0.0004077700000000, 0.0011332900000000, -0.0007093600000000 ] - [ -0.0000497700000000, 0.0000308200000000, 0.0006639200000000 ] - [ 0.0003129000000000, -0.0012169500000000, 0.0006154400000000 ] - [ -0.0005871100000000, -0.0013723500000000, 0.0012940500000000 ] - [ 0.0583987100000000, -0.0112655400000000, -0.0274270300000000 ] - [ 0.0002904000000000, -0.0003075600000000, -0.0006425600000000 ] - [ -0.0021675200000000, -0.0020952000000000, -0.0006951900000000 ] - [ -0.0012703500000000, -0.0044975000000000, 0.0005633600000000 ] - [ -0.0002940900000000, -0.0002848200000000, -0.0003118700000000 ] - [ 0.0000535200000000, 0.0000154900000000, 0.0000999500000000 ] - [ -0.0001345700000000, 0.0003693000000000, -0.0000219100000000 ] - [ -0.0005062200000000, 0.0006589200000000, -0.0004843600000000 ] - [ -0.0001604600000000, -0.0006284800000000, 0.0010025000000000 ] - [ 0.0007896100000000, -0.0011322400000000, 0.0009390600000000 ] - [ 0.0001231500000000, 0.0009196800000000, -0.0002829600000000 ] - [ 0.0000417000000000, -0.0002067000000000, 0.0003114700000000 ] - [ 0.0000675000000000, 0.0002486600000000, 0.0003680500000000 ] - [ 0.0166534100000000, -0.0297151300000000, -0.0338949100000000 ] - [ -0.0003586000000000, 0.0001536800000000, -0.0000731900000000 ] - [ -0.0861644600000000, 0.0402370000000000, 0.0414666900000000 ] - [ -0.0011338000000000, -0.0015378700000000, -0.0007164500000000 ] - [ 0.0000098500000000, 0.0003414000000000, -0.0003121800000000 ] - [ 0.0001234700000000, 0.0005597800000000, 0.0002932400000000 ] - [ -0.0002158600000000, 0.0003625300000000, 0.0001250400000000 ] - [ 0.0002639400000000, -0.0000867500000000, 0.0002438900000000 ] - [ 0.0000177000000000, -0.0007089600000000, 0.0001438900000000 ] - [ -0.0001333900000000, -0.0006217400000000, -0.0002211800000000 ] - [ 0.0001541200000000, 0.0002883100000000, 0.0001075000000000 ] - [ 0.0004542600000000, -0.0001787500000000, -0.0003938000000000 ] - [ -0.0002112300000000, 0.0000241700000000, -0.0001581600000000 ] - [ -0.0000049300000000, 0.0002777100000000, 0.0000218200000000 ] - [ 0.0000124000000000, -0.0000541300000000, -0.0003494100000000 ] - [ -0.0002590600000000, -0.0000800600000000, -0.0000782000000000 ] - [ 0.0003515100000000, -0.0011997100000000, 0.0001907000000000 ] - [ -0.0006095400000000, -0.0007900500000000, 0.0001190100000000 ] - [ -0.0000556100000000, -0.0006334900000000, -0.0000980100000000 ] - [ -0.0001683400000000, 0.0000227700000000, 0.0001202500000000 ] - [ -0.0002544500000000, -0.0001412800000000, -0.0004808300000000 ] - [ 0.0001180500000000, -0.0010185000000000, -0.0003783400000000 ] - [ 0.0007452000000000, -0.0004936100000000, -0.0001926100000000 ] - [ -0.0000634700000000, 0.0003672900000000, 0.0005307300000000 ] - [ 0.0015408100000000, 0.0006744800000000, 0.0009935600000000 ] - [ -0.0003368800000000, 0.0002326700000000, 0.0001527600000000 ] - [ -0.0000477700000000, -0.0003438300000000, 0.0003104700000000 ] - [ 0.0004189000000000, -0.0000183600000000, 0.0004402800000000 ] - [ -0.0002990800000000, -0.0003382200000000, 0.0004395900000000 ] - [ 0.0004472900000000, 0.0004057000000000, -0.0000141600000000 ] - [ 0.0008600200000000, 0.0004717700000000, -0.0000669800000000 ] - [ -0.0001981500000000, 0.0000710200000000, 0.0003051700000000 ] - [ -0.0021360100000000, 0.0002419800000000, 0.0021208200000000 ] - [ 0.0001922800000000, -0.0002631600000000, 0.0001531600000000 ] - [ -0.0002659100000000, 0.0003139200000000, -0.0000500900000000 ] - [ -0.0008451700000000, 0.0020853200000000, -0.0011461800000000 ] - [ 0.0002210900000000, 0.0001006900000000, 0.0001116600000000 ] - [ 0.0002585300000000, -0.0000350200000000, 0.0003190100000000 ] - [ 0.0017649900000000, -0.0005293800000000, 0.0004491900000000 ] - [ -0.0000381100000000, -0.0001717100000000, -0.0000746300000000 ] - [ 0.0007521600000000, 0.0013145800000000, -0.0017353700000000 ] - [ -0.0001193400000000, 0.0001610600000000, -0.0001688900000000 ] - [ 0.0006161800000000, 0.0000890000000000, -0.0000170900000000 ] - [ -0.0006583200000000, -0.0003344600000000, -0.0017704500000000 ] - [ -0.0115266400000000, 0.0031084400000000, 0.0240528900000000 ] - [ -0.0001943200000000, 0.0002626500000000, -0.0002835200000000 ] - [ -0.0003240000000000, -0.0000839000000000, -0.0000739200000000 ] - [ 0.0001436800000000, 0.0007461800000000, -0.0000808200000000 ] - [ 0.0000310300000000, 0.0001209800000000, -0.0000739600000000 ] - [ 0.0002201100000000, 0.0002583500000000, -0.0002302700000000 ] - [ 0.0015773200000000, -0.0022632200000000, 0.0053511100000000 ] - [ 0.0002066200000000, -0.0000767800000000, -0.0002339000000000 ] - [ 0.0036627800000000, 0.0028003400000000, -0.0049328200000000 ] - [ -0.0004038400000000, -0.0000872600000000, -0.0000485200000000 ] - [ 0.0015788200000000, -0.0000459500000000, 0.0008349700000000 ] - [ -0.0001998100000000, -0.0000616800000000, -0.0000385300000000 ] - [ -0.0006659400000000, 0.0000874200000000, -0.0003025100000000 ] - [ -0.0002587200000000, -0.0000008600000000, 0.0002158000000000 ] - [ -0.0001144500000000, 0.0004039700000000, 0.0001895300000000 ] - [ 0.0001123500000000, -0.0000735400000000, -0.0001835600000000 ] - [ -0.0000685300000000, -0.0001755400000000, 0.0002739100000000 ] - [ 0.0011698900000000, 0.0012379200000000, 0.0004452300000000 ] - [ 0.0000017000000000, -0.0003710700000000, -0.0000009300000000 ] - [ -0.0004693800000000, 0.0011922600000000, -0.0019577800000000 ] - [ 0.0000314600000000, -0.0001581300000000, -0.0007072100000000 ] - [ 0.0005250400000000, 0.0019312900000000, -0.0003205600000000 ] - [ -0.0002737600000000, -0.0002711000000000, -0.0001231100000000 ] - [ 0.0012023600000000, -0.0001680600000000, -0.0011500600000000 ] - [ -0.0002837000000000, -0.0001286400000000, 0.0001294800000000 ] - [ -0.0002518000000000, 0.0000570700000000, 0.0000980700000000 ] - [ 0.0003445100000000, -0.0005057400000000, 0.0001519200000000 ] - [ 0.0002216000000000, -0.0000863400000000, 0.0000375700000000 ] - [ 0.0001864100000000, -0.0003642300000000, -0.0003812400000000 ] - [ 0.0002090900000000, -0.0003623500000000, -0.0002061600000000 ] - [ 0.0001457200000000, 0.0000078400000000, -0.0010769800000000 ] - [ 0.0001494600000000, -0.0008220500000000, 0.0005025800000000 ] - [ -0.0001654300000000, -0.0001131000000000, -0.0001121000000000 ] - [ 0.0001093000000000, 0.0001332000000000, 0.0000530700000000 ] - [ 0.0001928000000000, 0.0003605600000000, 0.0002092600000000 ] - [ -0.0001131300000000, 0.0000182200000000, 0.0003826500000000 ] - [ 0.0004900000000000, 0.0000479800000000, 0.0000052300000000 ] - [ -0.0005737100000000, 0.0007698300000000, -0.0000937000000000 ] - [ 0.0016343800000000, -0.0009092900000000, -0.0008400100000000 ] - [ 0.0003896100000000, -0.0005086800000000, -0.0001311200000000 ] - [ -0.0005885200000000, 0.0001797600000000, 0.0001160500000000 ] - [ 0.0002648400000000, -0.0001049100000000, -0.0002002200000000 ] - [ 0.0005004100000000, -0.0001399800000000, -0.0001777300000000 ] - [ 0.0021357300000000, 0.0008817600000000, 0.0002557900000000 ] - [ 0.0001366600000000, -0.0004632400000000, 0.0000646200000000 ] - [ 0.0029262100000000, 0.0014637300000000, 0.0005722300000000 ]- atom: 89 displacement: [ -0.0099999639143206, 0.0000000000000000, 0.0000268647033593 ] forces: - [ 0.0003220400000000, -0.0002366700000000, 0.0001187500000000 ] - [ 0.0001073000000000, 0.0003633900000000, 0.0003825500000000 ] - [ 0.0003726800000000, -0.0000697200000000, -0.0000934300000000 ] - [ 0.0000462000000000, -0.0003516800000000, 0.0000948600000000 ] - [ -0.0070588500000000, 0.0023047700000000, -0.0017533200000000 ] - [ -0.0000711700000000, -0.0001398000000000, -0.0001372600000000 ] - [ -0.0005320300000000, 0.0013711100000000, 0.0014814600000000 ] - [ 0.0004522200000000, 0.0000028300000000, 0.0001745800000000 ] - [ 0.0000159500000000, -0.0000740000000000, -0.0000200400000000 ] - [ -0.0021097000000000, 0.0003187700000000, -0.0000844200000000 ] - [ -0.0001725200000000, 0.0001353700000000, 0.0001699200000000 ] - [ 0.0000834200000000, -0.0002661500000000, -0.0000711900000000 ] - [ 0.0007195100000000, -0.0000668300000000, 0.0001103800000000 ] - [ 0.0000352900000000, 0.0000181300000000, -0.0001219600000000 ] - [ 0.0000210900000000, -0.0002833100000000, -0.0004525600000000 ] - [ -0.0025856800000000, -0.0007363400000000, 0.0010711600000000 ] - [ 0.0005468700000000, -0.0004231800000000, 0.0001514100000000 ] - [ -0.0006874100000000, -0.0001768400000000, -0.0000657300000000 ] - [ -0.0004097300000000, 0.0003111100000000, -0.0005908200000000 ] - [ 0.0000789400000000, 0.0000788700000000, 0.0000601300000000 ] - [ 0.0011206000000000, 0.0010934500000000, 0.0008967400000000 ] - [ -0.0000097300000000, 0.0002559800000000, -0.0001728400000000 ] - [ -0.0003022100000000, -0.0000540500000000, 0.0000228200000000 ] - [ 0.0000991500000000, 0.0000505500000000, 0.0001014200000000 ] - [ 0.0001141300000000, -0.0002124800000000, 0.0005124800000000 ] - [ -0.0000216400000000, -0.0010509000000000, -0.0008222800000000 ] - [ -0.0001840700000000, -0.0006988900000000, 0.0003476300000000 ] - [ -0.0003394900000000, 0.0001280300000000, -0.0009619100000000 ] - [ 0.0042294900000000, 0.0002253200000000, -0.0004856300000000 ] - [ -0.0000162300000000, -0.0000856600000000, -0.0004835000000000 ] - [ -0.0023917800000000, 0.0010829800000000, 0.0011964200000000 ] - [ 0.0013371100000000, 0.0007267000000000, 0.0000156400000000 ] - [ 0.0023683300000000, 0.0007944600000000, 0.0010296100000000 ] - [ -0.0118390400000000, 0.0008735100000000, 0.0040120600000000 ] - [ 0.0000122400000000, -0.0007994800000000, 0.0004275300000000 ] - [ 0.0001133000000000, 0.0011756000000000, -0.0005404400000000 ] - [ 0.0008075100000000, -0.0001498600000000, 0.0000583900000000 ] - [ 0.0065024500000000, -0.0044353300000000, -0.0046511400000000 ] - [ -0.0001756500000000, -0.0006281900000000, 0.0005052500000000 ] - [ 0.0004641200000000, 0.0004772900000000, -0.0000827700000000 ] - [ 0.0000635300000000, -0.0000279100000000, -0.0000793500000000 ] - [ 0.0004138000000000, -0.0000012900000000, 0.0004628800000000 ] - [ 0.0005201300000000, 0.0007531300000000, 0.0011025100000000 ] - [ -0.0022650700000000, 0.0002343400000000, 0.0004091300000000 ] - [ -0.0001459400000000, -0.0000133200000000, -0.0000417300000000 ] - [ 0.0000135400000000, 0.0003581400000000, -0.0003427700000000 ] - [ -0.0001192500000000, 0.0000801100000000, 0.0002026200000000 ] - [ 0.0002168200000000, -0.0013086000000000, -0.0002866100000000 ] - [ 0.0000787400000000, -0.0003527300000000, -0.0000202400000000 ] - [ -0.0015586200000000, -0.0000950000000000, -0.0001202400000000 ] - [ 0.0001660200000000, -0.0000053200000000, -0.0003890100000000 ] - [ 0.0008001000000000, -0.0007893900000000, 0.0005047400000000 ] - [ 0.0004295100000000, 0.0002197100000000, -0.0001915900000000 ] - [ 0.0008576900000000, 0.0007978300000000, -0.0002297000000000 ] - [ -0.0023869100000000, 0.0000089900000000, 0.0001162700000000 ] - [ 0.0001232400000000, -0.0003432300000000, -0.0001301300000000 ] - [ 0.0019610100000000, 0.0002876600000000, -0.0003138300000000 ] - [ 0.0025832100000000, -0.0020784300000000, 0.0000697200000000 ] - [ -0.0001856400000000, 0.0001145700000000, -0.0000900100000000 ] - [ -0.0000079900000000, -0.0005537300000000, 0.0000897800000000 ] - [ -0.0001822200000000, 0.0000454400000000, -0.0002365000000000 ] - [ 0.0003793100000000, 0.0002527100000000, 0.0000461600000000 ] - [ -0.0002118000000000, 0.0002338300000000, 0.0001403100000000 ] - [ -0.0002357900000000, -0.0002733800000000, 0.0001602900000000 ] - [ -0.0000067500000000, 0.0001076200000000, -0.0007898800000000 ] - [ 0.0001568800000000, -0.0002359100000000, -0.0001483500000000 ] - [ -0.0001135400000000, 0.0001992500000000, 0.0002446300000000 ] - [ 0.0002227700000000, 0.0003189100000000, -0.0001034500000000 ] - [ -0.0011467000000000, 0.0003146600000000, -0.0005973300000000 ] - [ -0.0001535800000000, -0.0008738900000000, 0.0005682500000000 ] - [ -0.0004006400000000, -0.0000992400000000, 0.0000277000000000 ] - [ 0.0000125600000000, 0.0016959500000000, -0.0005617800000000 ] - [ 0.0002863000000000, 0.0005861700000000, -0.0008301100000000 ] - [ -0.0593786300000000, 0.0115389200000000, 0.0285805400000000 ] - [ 0.0001567400000000, 0.0002403600000000, -0.0000506100000000 ] - [ 0.0019211500000000, 0.0018483100000000, 0.0008495000000000 ] - [ 0.0011935700000000, 0.0041152500000000, -0.0007408000000000 ] - [ 0.0003156300000000, -0.0003199800000000, 0.0000947700000000 ] - [ 0.0000177200000000, -0.0004143900000000, 0.0000681900000000 ] - [ -0.0001826400000000, 0.0001047800000000, -0.0000317600000000 ] - [ 0.0009685300000000, 0.0001346100000000, 0.0005523000000000 ] - [ 0.0000311200000000, 0.0006146100000000, -0.0001798300000000 ] - [ -0.0013490000000000, 0.0009623500000000, -0.0004664300000000 ] - [ -0.0004007800000000, -0.0001467600000000, 0.0000374400000000 ] - [ 0.0000264700000000, 0.0000858800000000, 0.0003525300000000 ] - [ 0.0004197900000000, -0.0001777900000000, -0.0001531900000000 ] - [ -0.0161767100000000, 0.0292746900000000, 0.0333137800000000 ] - [ -0.0002032700000000, -0.0000645500000000, -0.0001333800000000 ] - [ 0.0861889800000000, -0.0404498600000000, -0.0411582300000000 ] - [ 0.0016131400000000, 0.0007172100000000, 0.0007853600000000 ] - [ 0.0002173500000000, -0.0002024400000000, 0.0005855600000000 ] - [ -0.0003954400000000, 0.0005207500000000, 0.0000512000000000 ] - [ -0.0002644200000000, 0.0001487200000000, 0.0007115100000000 ] - [ 0.0003067600000000, 0.0000599700000000, 0.0003288200000000 ] - [ -0.0001691600000000, -0.0004686800000000, 0.0001938200000000 ] - [ 0.0003528400000000, -0.0005055600000000, -0.0001473300000000 ] - [ 0.0001156700000000, 0.0004920700000000, 0.0001365100000000 ] - [ -0.0003012500000000, -0.0009988000000000, 0.0000534400000000 ] - [ -0.0001796200000000, 0.0000424700000000, 0.0005732900000000 ] - [ -0.0003819900000000, 0.0005884600000000, -0.0000820300000000 ] - [ 0.0001195000000000, 0.0000739400000000, -0.0004832000000000 ] - [ -0.0003116700000000, 0.0001072400000000, -0.0004936600000000 ] - [ 0.0002183800000000, 0.0012285900000000, 0.0003804500000000 ] - [ 0.0003892800000000, -0.0003308600000000, 0.0002485400000000 ] - [ 0.0003303800000000, -0.0004483700000000, -0.0002500100000000 ] - [ -0.0000707200000000, 0.0000694900000000, 0.0000736300000000 ] - [ -0.0002278300000000, 0.0002120600000000, 0.0002702600000000 ] - [ 0.0003648100000000, 0.0015386100000000, -0.0004563200000000 ] - [ -0.0005105000000000, 0.0004077900000000, -0.0000007600000000 ] - [ -0.0002701500000000, 0.0001759900000000, 0.0000585300000000 ] - [ -0.0018820100000000, -0.0012285100000000, -0.0004230300000000 ] - [ 0.0009038500000000, -0.0003229500000000, 0.0000533100000000 ] - [ 0.0003790800000000, 0.0008874800000000, -0.0008959200000000 ] - [ -0.0003520100000000, 0.0001414500000000, 0.0002248200000000 ] - [ -0.0001800500000000, -0.0001720500000000, 0.0003971700000000 ] - [ -0.0002102100000000, -0.0003159300000000, -0.0001728600000000 ] - [ -0.0002928200000000, -0.0003767700000000, 0.0002713100000000 ] - [ 0.0005243300000000, 0.0000692100000000, 0.0000266700000000 ] - [ 0.0018520400000000, -0.0010372100000000, -0.0023657000000000 ] - [ 0.0001334900000000, 0.0001247200000000, 0.0001784200000000 ] - [ -0.0002074500000000, 0.0004903400000000, -0.0000149700000000 ] - [ 0.0005816100000000, -0.0023282200000000, 0.0014814000000000 ] - [ -0.0005374800000000, -0.0002438400000000, -0.0004397800000000 ] - [ -0.0000313400000000, 0.0003562900000000, -0.0001950500000000 ] - [ -0.0021611000000000, -0.0003454500000000, -0.0005003500000000 ] - [ -0.0001937700000000, 0.0000361900000000, -0.0002080900000000 ] - [ -0.0008277800000000, -0.0014377900000000, 0.0010736900000000 ] - [ -0.0001112500000000, -0.0000213800000000, -0.0001115600000000 ] - [ 0.0003256300000000, 0.0000538900000000, 0.0001391500000000 ] - [ 0.0016196500000000, 0.0009261500000000, 0.0016377700000000 ] - [ 0.0112060700000000, -0.0031298400000000, -0.0241017000000000 ] - [ -0.0000408700000000, -0.0003515600000000, 0.0004772000000000 ] - [ 0.0001089900000000, -0.0002456500000000, -0.0000435000000000 ] - [ 0.0000076000000000, 0.0004328300000000, -0.0002570600000000 ] - [ -0.0009701700000000, 0.0000215200000000, -0.0000496700000000 ] - [ 0.0000574500000000, 0.0008296000000000, -0.0001187000000000 ] - [ -0.0006558800000000, 0.0021204500000000, -0.0052095300000000 ] - [ 0.0001854500000000, 0.0000108200000000, -0.0001813800000000 ] - [ -0.0034430800000000, -0.0016731900000000, 0.0046100500000000 ] - [ -0.0005338300000000, -0.0000506900000000, -0.0000737800000000 ] - [ -0.0018546300000000, -0.0010346400000000, -0.0004775800000000 ] - [ -0.0003658700000000, -0.0000259100000000, -0.0001697200000000 ] - [ 0.0005955800000000, 0.0000324600000000, -0.0003600200000000 ] - [ -0.0002946000000000, 0.0001736900000000, 0.0002578900000000 ] - [ -0.0001041700000000, 0.0007223100000000, 0.0001781400000000 ] - [ 0.0003754000000000, 0.0001784000000000, -0.0000677800000000 ] - [ -0.0001644500000000, 0.0000413900000000, 0.0001504700000000 ] - [ -0.0021331800000000, -0.0018300400000000, -0.0003119200000000 ] - [ -0.0004738600000000, -0.0004308200000000, -0.0000641700000000 ] - [ 0.0006887800000000, -0.0013352200000000, 0.0022333600000000 ] - [ 0.0002008900000000, 0.0000239600000000, 0.0002800900000000 ] - [ -0.0002921900000000, -0.0017849900000000, -0.0001049400000000 ] - [ 0.0007514000000000, -0.0002405100000000, -0.0006972800000000 ] - [ -0.0008175200000000, 0.0010347700000000, 0.0012090900000000 ] - [ -0.0002040100000000, 0.0000232400000000, 0.0001235100000000 ] - [ -0.0000257100000000, 0.0001818200000000, 0.0002332300000000 ] - [ -0.0000754300000000, -0.0002710800000000, 0.0000917300000000 ] - [ 0.0002659800000000, 0.0000169600000000, 0.0001806600000000 ] - [ 0.0001457800000000, -0.0001774100000000, -0.0002036000000000 ] - [ 0.0000688900000000, 0.0001252000000000, -0.0001245900000000 ] - [ -0.0000139900000000, -0.0000256500000000, 0.0002452500000000 ] - [ -0.0003050300000000, 0.0020012200000000, -0.0001646600000000 ] - [ -0.0000519000000000, 0.0004467700000000, -0.0000052700000000 ] - [ 0.0002839700000000, -0.0000663100000000, -0.0004714200000000 ] - [ -0.0006770300000000, -0.0002595400000000, 0.0000399900000000 ] - [ -0.0001208900000000, 0.0001196500000000, 0.0000452600000000 ] - [ -0.0006227800000000, -0.0000314700000000, 0.0008398000000000 ] - [ 0.0008504100000000, -0.0005188600000000, -0.0002314600000000 ] - [ -0.0014193800000000, 0.0005827500000000, 0.0009684900000000 ] - [ 0.0005753700000000, -0.0000762700000000, 0.0000004600000000 ] - [ -0.0003740100000000, 0.0004061700000000, 0.0000151600000000 ] - [ 0.0002878500000000, -0.0000667700000000, -0.0002722200000000 ] - [ -0.0008280400000000, 0.0002859300000000, -0.0001540600000000 ] - [ -0.0027175100000000, -0.0009216800000000, -0.0008296000000000 ] - [ 0.0002489000000000, -0.0004014300000000, -0.0000043800000000 ] - [ -0.0023789600000000, -0.0012995800000000, -0.0010509500000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002029600000000, -0.0005176000000000, 0.0000196100000000 ] - [ -0.0003402700000000, 0.0009967200000000, -0.0003398300000000 ] - [ 0.0003301500000000, -0.0002298900000000, -0.0002057400000000 ] - [ 0.0000555800000000, -0.0006553300000000, 0.0001346600000000 ] - [ -0.0018046700000000, 0.0033232600000000, -0.0003240200000000 ] - [ -0.0001087900000000, 0.0000434300000000, -0.0003573900000000 ] - [ -0.0008034100000000, 0.0033590700000000, 0.0003698200000000 ] - [ 0.0004580600000000, -0.0002429800000000, 0.0002689800000000 ] - [ -0.0000292300000000, -0.0005279900000000, -0.0000467100000000 ] - [ -0.0006176500000000, 0.0003277200000000, 0.0021672800000000 ] - [ -0.0000726400000000, -0.0003138000000000, 0.0000015400000000 ] - [ 0.0001030400000000, -0.0005013900000000, -0.0000088500000000 ] - [ 0.0004375500000000, -0.0000986400000000, 0.0001576400000000 ] - [ 0.0000161100000000, -0.0002296200000000, -0.0001107100000000 ] - [ 0.0003098100000000, 0.0003933900000000, -0.0003893600000000 ] - [ -0.0000312800000000, -0.0044584000000000, 0.0015697800000000 ] - [ 0.0000632300000000, 0.0000218100000000, 0.0004021100000000 ] - [ -0.0005926300000000, -0.0010958800000000, -0.0001536600000000 ] - [ -0.0002741500000000, 0.0004167100000000, -0.0005107200000000 ] - [ 0.0001171400000000, -0.0003170400000000, 0.0000213100000000 ] - [ -0.0005913900000000, -0.0000576200000000, -0.0006321300000000 ] - [ -0.0000434700000000, 0.0006699400000000, -0.0003105600000000 ] - [ -0.0002896500000000, -0.0002181600000000, 0.0000291000000000 ] - [ 0.0001087600000000, -0.0002467600000000, 0.0000989800000000 ] - [ -0.0000418400000000, -0.0010312900000000, -0.0000197500000000 ] - [ 0.0001955800000000, -0.0016266300000000, -0.0007539800000000 ] - [ -0.0002296100000000, -0.0012039500000000, 0.0002126300000000 ] - [ -0.0008117700000000, 0.0007427000000000, 0.0004669900000000 ] - [ -0.0000015100000000, 0.0024280500000000, -0.0004846900000000 ] - [ 0.0000578700000000, -0.0008625800000000, -0.0003530900000000 ] - [ -0.0005511000000000, 0.0015899100000000, -0.0033088600000000 ] - [ 0.0005907800000000, 0.0014664800000000, -0.0002866400000000 ] - [ 0.0004064900000000, 0.0011968700000000, 0.0010930900000000 ] - [ -0.0000183600000000, 0.0140742500000000, 0.0000115500000000 ] - [ 0.0003406500000000, -0.0010448800000000, 0.0007598900000000 ] - [ -0.0005400500000000, -0.0012915000000000, 0.0003123000000000 ] - [ 0.0003270800000000, -0.0011790300000000, -0.0002902800000000 ] - [ 0.0063877200000000, -0.0039646300000000, -0.0043220400000000 ] - [ 0.0002582800000000, 0.0004238600000000, 0.0012752300000000 ] - [ -0.0001016800000000, 0.0004435200000000, -0.0006605500000000 ] - [ -0.0000046400000000, -0.0007497200000000, 0.0000192100000000 ] - [ 0.0003122300000000, -0.0010731400000000, 0.0003900500000000 ] - [ -0.0019920400000000, -0.0015564100000000, -0.0010141400000000 ] - [ -0.0001247800000000, 0.0008289100000000, 0.0016750800000000 ] - [ -0.0002605100000000, -0.0013956100000000, 0.0005404200000000 ] - [ 0.0002147800000000, -0.0008695700000000, -0.0011130800000000 ] - [ -0.0000554200000000, -0.0011138200000000, 0.0001403000000000 ] - [ 0.0013977100000000, -0.0015686900000000, -0.0010062100000000 ] - [ -0.0001553700000000, -0.0008487900000000, 0.0000541400000000 ] - [ -0.0009471600000000, -0.0005910500000000, -0.0001582400000000 ] - [ -0.0000378900000000, -0.0001999900000000, -0.0003160100000000 ] - [ 0.0019414700000000, -0.0008761100000000, 0.0016212600000000 ] - [ 0.0002137600000000, 0.0000357800000000, -0.0001669400000000 ] - [ 0.0006417100000000, 0.0009340800000000, -0.0002590100000000 ] - [ 0.0003826600000000, -0.0030877500000000, -0.0009307100000000 ] - [ 0.0001405600000000, -0.0004927600000000, -0.0003337400000000 ] - [ 0.0003450800000000, 0.0004292900000000, -0.0001631000000000 ] - [ 0.0019116000000000, -0.0007150900000000, -0.0002818200000000 ] - [ -0.0000332900000000, -0.0004173100000000, -0.0000208300000000 ] - [ 0.0000412900000000, -0.0011692200000000, 0.0000867900000000 ] - [ 0.0002033000000000, -0.0002913800000000, -0.0003436800000000 ] - [ 0.0002636100000000, 0.0003424200000000, -0.0004251400000000 ] - [ -0.0000842500000000, -0.0007145000000000, 0.0001235400000000 ] - [ -0.0002389500000000, -0.0012681200000000, -0.0002226600000000 ] - [ -0.0002793600000000, -0.0001557200000000, -0.0003783700000000 ] - [ 0.0003193700000000, -0.0006500100000000, -0.0002933700000000 ] - [ -0.0001013700000000, -0.0001722500000000, -0.0004249700000000 ] - [ -0.0001477100000000, -0.0001794100000000, 0.0001369700000000 ] - [ -0.0015072600000000, 0.0004115900000000, -0.0006097700000000 ] - [ 0.0000720200000000, -0.0009540200000000, 0.0002747600000000 ] - [ -0.0002833800000000, -0.0000142800000000, -0.0002759200000000 ] - [ -0.0000123100000000, 0.0025287700000000, -0.0003301100000000 ] - [ -0.0008970700000000, -0.0017151600000000, 0.0014785100000000 ] - [ -0.0117918000000000, 0.0793749800000000, 0.0592447100000000 ] - [ -0.0001352200000000, -0.0002695600000000, -0.0009521000000000 ] - [ 0.0009083300000000, 0.0018542500000000, 0.0004083300000000 ] - [ -0.0024603900000000, 0.0021185700000000, 0.0006024300000000 ] - [ -0.0003704400000000, 0.0007419300000000, -0.0001711400000000 ] - [ 0.0001102900000000, -0.0010833500000000, 0.0000539800000000 ] - [ -0.0002557000000000, -0.0004494000000000, -0.0000653900000000 ] - [ 0.0003065600000000, -0.0015846100000000, -0.0001457400000000 ] - [ -0.0007815900000000, 0.0003602900000000, -0.0010397400000000 ] - [ -0.0014188200000000, 0.0008673200000000, -0.0003811000000000 ] - [ -0.0003828400000000, -0.0009376600000000, -0.0001587100000000 ] - [ 0.0000949900000000, 0.0006609600000000, 0.0004171700000000 ] - [ 0.0009777300000000, 0.0008063100000000, 0.0000496700000000 ] - [ -0.0287091900000000, 0.0088484900000000, 0.0296857100000000 ] - [ -0.0002886600000000, 0.0000349000000000, -0.0001402800000000 ] - [ 0.0395513100000000, -0.0848787400000000, -0.1008093900000000 ] - [ -0.0001523000000000, 0.0003007000000000, 0.0022621700000000 ] - [ 0.0008994200000000, 0.0009754100000000, -0.0009477100000000 ] - [ 0.0000029200000000, -0.0003702100000000, 0.0000190900000000 ] - [ -0.0001009800000000, 0.0004286400000000, 0.0003640900000000 ] - [ 0.0002298400000000, 0.0005019400000000, 0.0003923000000000 ] - [ -0.0000467600000000, -0.0000901200000000, 0.0000484800000000 ] - [ 0.0001872300000000, -0.0001694400000000, -0.0007749200000000 ] - [ 0.0002340800000000, 0.0010134500000000, 0.0001938400000000 ] - [ -0.0001546100000000, -0.0012099000000000, 0.0001201500000000 ] - [ -0.0001764700000000, -0.0001670600000000, 0.0005482400000000 ] - [ -0.0002964300000000, 0.0005870100000000, -0.0001272600000000 ] - [ 0.0000391900000000, 0.0004857400000000, -0.0003799900000000 ] - [ -0.0002691400000000, 0.0000787500000000, -0.0000661900000000 ] - [ 0.0001494400000000, 0.0012193000000000, 0.0005981100000000 ] - [ 0.0002028800000000, 0.0000874900000000, 0.0003107400000000 ] - [ 0.0001362400000000, 0.0003032100000000, -0.0001973900000000 ] - [ -0.0004189800000000, 0.0006311500000000, 0.0000835300000000 ] - [ -0.0003654300000000, 0.0001535700000000, 0.0006743500000000 ] - [ -0.0015479200000000, 0.0024683900000000, -0.0005823000000000 ] - [ -0.0011872000000000, 0.0007925400000000, -0.0001101500000000 ] - [ 0.0001159300000000, 0.0004064700000000, 0.0010161700000000 ] - [ -0.0009026200000000, -0.0016299500000000, -0.0000548200000000 ] - [ 0.0010688600000000, -0.0007515600000000, 0.0002656400000000 ] - [ 0.0000050600000000, 0.0013009600000000, -0.0008556400000000 ] - [ -0.0001195000000000, 0.0005060200000000, 0.0000881700000000 ] - [ -0.0003358600000000, 0.0001746800000000, 0.0003538600000000 ] - [ 0.0001325800000000, -0.0002104900000000, 0.0004127100000000 ] - [ 0.0009475000000000, 0.0010291900000000, -0.0001981600000000 ] - [ 0.0001392300000000, 0.0008956600000000, -0.0003895300000000 ] - [ 0.0009174900000000, 0.0011780800000000, 0.0038575300000000 ] - [ 0.0000787900000000, 0.0008132100000000, 0.0000453700000000 ] - [ -0.0002775500000000, 0.0009313000000000, 0.0000053600000000 ] - [ 0.0018290500000000, 0.0000782000000000, -0.0025152200000000 ] - [ 0.0000974300000000, -0.0008257700000000, 0.0000766100000000 ] - [ 0.0004626000000000, -0.0011139000000000, 0.0002604100000000 ] - [ -0.0009711900000000, -0.0012902200000000, 0.0000999800000000 ] - [ -0.0000615100000000, 0.0005199000000000, -0.0002137400000000 ] - [ -0.0009205900000000, -0.0020876600000000, 0.0012101100000000 ] - [ -0.0000957600000000, 0.0001499000000000, 0.0000164900000000 ] - [ 0.0005931600000000, 0.0001747100000000, -0.0000776900000000 ] - [ 0.0010972300000000, 0.0011190500000000, 0.0012668100000000 ] - [ 0.0015596500000000, -0.0154476200000000, 0.0112410700000000 ] - [ -0.0001290300000000, 0.0000031500000000, -0.0001626300000000 ] - [ -0.0000683900000000, 0.0006031700000000, -0.0001097900000000 ] - [ 0.0002078600000000, 0.0016453200000000, 0.0000345100000000 ] - [ -0.0007734900000000, 0.0001334500000000, 0.0001290600000000 ] - [ 0.0000131700000000, 0.0013247700000000, -0.0001336300000000 ] - [ -0.0014873700000000, -0.0012470000000000, -0.0034305300000000 ] - [ 0.0002307700000000, 0.0002767000000000, -0.0001976300000000 ] - [ -0.0000790600000000, -0.0020551000000000, -0.0008824600000000 ] - [ -0.0001941800000000, 0.0006161900000000, 0.0000746200000000 ] - [ 0.0002051200000000, -0.0013129200000000, 0.0004316400000000 ] - [ -0.0000968400000000, 0.0005937400000000, -0.0001610700000000 ] - [ 0.0002529400000000, 0.0019531900000000, 0.0000623100000000 ] - [ -0.0003922900000000, 0.0005616200000000, 0.0003737900000000 ] - [ -0.0001294900000000, 0.0013146700000000, 0.0001774000000000 ] - [ 0.0001683900000000, 0.0002643600000000, 0.0001892700000000 ] - [ -0.0000303300000000, 0.0004839500000000, -0.0000524100000000 ] - [ 0.0001624300000000, -0.0009790700000000, -0.0000003200000000 ] - [ -0.0001704500000000, 0.0002236100000000, -0.0000812900000000 ] - [ 0.0006327100000000, -0.0020579200000000, 0.0035623700000000 ] - [ 0.0002884100000000, -0.0003048600000000, 0.0004379600000000 ] - [ 0.0017791500000000, 0.0015883500000000, -0.0005911500000000 ] - [ -0.0000216000000000, -0.0007642100000000, 0.0003462100000000 ] - [ -0.0007870000000000, 0.0010057300000000, 0.0011984300000000 ] - [ -0.0000039400000000, 0.0003314900000000, 0.0000731800000000 ] - [ -0.0000984800000000, 0.0005218800000000, 0.0000806100000000 ] - [ 0.0000370000000000, 0.0003469000000000, 0.0000339200000000 ] - [ 0.0002845000000000, 0.0002444300000000, 0.0001416000000000 ] - [ 0.0000821100000000, 0.0001935900000000, -0.0000854300000000 ] - [ 0.0001385100000000, 0.0006161900000000, 0.0000001200000000 ] - [ 0.0000505000000000, 0.0001959700000000, -0.0001740200000000 ] - [ -0.0002899300000000, 0.0008646500000000, -0.0000540600000000 ] - [ -0.0000550800000000, 0.0009556500000000, 0.0000032300000000 ] - [ 0.0002878800000000, 0.0004257200000000, 0.0002802100000000 ] - [ 0.0000437900000000, 0.0001393800000000, 0.0001094100000000 ] - [ -0.0001431800000000, 0.0003470700000000, 0.0001207800000000 ] - [ -0.0000831900000000, -0.0004930300000000, 0.0010086200000000 ] - [ 0.0007361700000000, 0.0001475400000000, 0.0001803500000000 ] - [ -0.0005552000000000, -0.0006824600000000, 0.0005477500000000 ] - [ 0.0003177500000000, 0.0005171400000000, 0.0000945600000000 ] - [ -0.0005236700000000, 0.0006565500000000, -0.0000300300000000 ] - [ 0.0003837000000000, 0.0001930800000000, 0.0000833300000000 ] - [ -0.0001095600000000, 0.0001267600000000, -0.0000802900000000 ] - [ -0.0007666100000000, -0.0014667700000000, -0.0007248400000000 ] - [ 0.0000284300000000, 0.0001734100000000, 0.0001010900000000 ] - [ -0.0015324800000000, -0.0013044900000000, -0.0008399400000000 ]- atom: 89 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000128500000000, 0.0002975800000000, 0.0001681000000000 ] - [ 0.0002100800000000, -0.0005493800000000, 0.0002859300000000 ] - [ 0.0002859100000000, 0.0002201300000000, 0.0000598300000000 ] - [ 0.0000362600000000, -0.0000130400000000, 0.0001425400000000 ] - [ 0.0016518800000000, -0.0039805600000000, 0.0000363700000000 ] - [ -0.0000815600000000, -0.0002592800000000, 0.0001708400000000 ] - [ 0.0006170400000000, -0.0031270400000000, -0.0005590900000000 ] - [ 0.0004134300000000, 0.0005797000000000, -0.0000467700000000 ] - [ 0.0000894600000000, 0.0004175200000000, -0.0000698800000000 ] - [ 0.0005654500000000, -0.0001033600000000, -0.0021212900000000 ] - [ 0.0001639200000000, 0.0009808100000000, 0.0002782700000000 ] - [ 0.0000284000000000, 0.0000553700000000, 0.0000628500000000 ] - [ 0.0004338000000000, -0.0002423700000000, 0.0000625000000000 ] - [ 0.0000440800000000, 0.0003373000000000, -0.0000063900000000 ] - [ -0.0003724400000000, -0.0004988400000000, 0.0005079200000000 ] - [ -0.0005830900000000, 0.0044187800000000, -0.0014309500000000 ] - [ -0.0001948800000000, -0.0004636000000000, -0.0004538400000000 ] - [ -0.0002797500000000, 0.0007506900000000, -0.0000702700000000 ] - [ -0.0005962700000000, -0.0000789900000000, 0.0002907300000000 ] - [ 0.0000144100000000, 0.0007598100000000, 0.0000323300000000 ] - [ 0.0012028600000000, 0.0000611300000000, 0.0004961000000000 ] - [ -0.0000481700000000, -0.0000000900000000, 0.0000333100000000 ] - [ -0.0003264700000000, 0.0002273600000000, 0.0001169800000000 ] - [ 0.0000813200000000, 0.0004636100000000, 0.0000876700000000 ] - [ 0.0005485200000000, 0.0006969700000000, 0.0009271500000000 ] - [ -0.0001081700000000, 0.0011410800000000, 0.0010363200000000 ] - [ -0.0001596700000000, 0.0001771000000000, 0.0004564700000000 ] - [ 0.0002953100000000, -0.0010627600000000, -0.0013580900000000 ] - [ -0.0000855500000000, -0.0019431100000000, 0.0001978800000000 ] - [ 0.0001244500000000, 0.0011773800000000, -0.0005026100000000 ] - [ 0.0003897600000000, -0.0012595800000000, 0.0041167000000000 ] - [ -0.0004817700000000, -0.0010908200000000, 0.0003682300000000 ] - [ -0.0007932700000000, -0.0001747700000000, -0.0004275400000000 ] - [ -0.0004789200000000, -0.0138119800000000, -0.0011572100000000 ] - [ -0.0004564700000000, 0.0006686200000000, -0.0008403100000000 ] - [ 0.0007255200000000, 0.0009709300000000, -0.0011752500000000 ] - [ 0.0000487600000000, 0.0013605300000000, 0.0001841400000000 ] - [ -0.0059750700000000, 0.0029281300000000, 0.0036506100000000 ] - [ -0.0003380000000000, -0.0008941600000000, -0.0015418500000000 ] - [ 0.0004729900000000, -0.0006342800000000, 0.0005581700000000 ] - [ -0.0001084800000000, 0.0011167300000000, -0.0000937000000000 ] - [ 0.0001971400000000, 0.0013947100000000, 0.0005137600000000 ] - [ 0.0021009300000000, 0.0011882100000000, 0.0010772100000000 ] - [ -0.0002551400000000, -0.0006603500000000, -0.0015784300000000 ] - [ -0.0001160200000000, 0.0012025300000000, -0.0004348000000000 ] - [ 0.0001750300000000, 0.0018949200000000, 0.0004438800000000 ] - [ 0.0001397800000000, 0.0015885900000000, 0.0001391100000000 ] - [ -0.0015759900000000, 0.0012513700000000, 0.0018480300000000 ] - [ -0.0001747000000000, 0.0003666500000000, -0.0001018600000000 ] - [ 0.0010137300000000, 0.0009593500000000, 0.0003203400000000 ] - [ 0.0004752400000000, 0.0002779600000000, -0.0003824400000000 ] - [ -0.0016360900000000, 0.0007270100000000, -0.0010712300000000 ] - [ 0.0001991200000000, 0.0006372000000000, -0.0000614300000000 ] - [ -0.0010562500000000, -0.0002629700000000, 0.0004886900000000 ] - [ -0.0000461500000000, 0.0026134700000000, 0.0009700100000000 ] - [ 0.0001519000000000, -0.0002800300000000, -0.0001271100000000 ] - [ -0.0003145200000000, 0.0001795000000000, -0.0000523600000000 ] - [ -0.0014826900000000, 0.0000315400000000, 0.0000555800000000 ] - [ -0.0000301700000000, 0.0007922800000000, -0.0001408500000000 ] - [ -0.0000691900000000, 0.0005612200000000, 0.0001277600000000 ] - [ -0.0004944800000000, 0.0004329100000000, -0.0002000800000000 ] - [ 0.0000267200000000, -0.0001991300000000, 0.0009625200000000 ] - [ 0.0000555100000000, 0.0013183700000000, 0.0000911000000000 ] - [ -0.0001743800000000, 0.0005920500000000, 0.0004506400000000 ] - [ -0.0000142200000000, 0.0000114900000000, -0.0001665700000000 ] - [ -0.0000633300000000, 0.0003877900000000, 0.0001535900000000 ] - [ -0.0001550300000000, 0.0004348600000000, 0.0005648600000000 ] - [ 0.0004373000000000, 0.0009466600000000, -0.0005947300000000 ] - [ 0.0012273400000000, 0.0003646000000000, 0.0010857800000000 ] - [ 0.0001797300000000, 0.0012117900000000, -0.0004084600000000 ] - [ -0.0001531600000000, -0.0000634700000000, 0.0009747300000000 ] - [ 0.0003418600000000, -0.0020455800000000, 0.0003793800000000 ] - [ 0.0005985900000000, 0.0009388600000000, -0.0010180900000000 ] - [ 0.0116965200000000, -0.0791330200000000, -0.0602956500000000 ] - [ 0.0005777700000000, 0.0001902500000000, 0.0002588400000000 ] - [ -0.0011622300000000, -0.0021121500000000, -0.0002680300000000 ] - [ 0.0024056300000000, -0.0025183300000000, -0.0007703100000000 ] - [ 0.0003947000000000, -0.0013361000000000, -0.0000448100000000 ] - [ -0.0000459100000000, 0.0007006600000000, 0.0001083600000000 ] - [ -0.0000759100000000, 0.0009252600000000, 0.0000175000000000 ] - [ 0.0002126500000000, 0.0023581800000000, 0.0001993100000000 ] - [ 0.0006403300000000, -0.0003763500000000, 0.0018837500000000 ] - [ 0.0008535500000000, -0.0010592600000000, 0.0008425800000000 ] - [ 0.0000896500000000, 0.0016866000000000, -0.0000861200000000 ] - [ -0.0000158700000000, -0.0007355600000000, 0.0002459300000000 ] - [ -0.0005165700000000, -0.0007388400000000, 0.0001408500000000 ] - [ 0.0294359100000000, -0.0087934900000000, -0.0301896500000000 ] - [ -0.0002568900000000, 0.0000504400000000, -0.0000650400000000 ] - [ -0.0406005300000000, 0.0843346500000000, 0.1032368900000000 ] - [ 0.0006751100000000, -0.0011102700000000, -0.0021870800000000 ] - [ -0.0006418800000000, -0.0008306200000000, 0.0012333200000000 ] - [ -0.0002534100000000, 0.0014348500000000, 0.0003289800000000 ] - [ -0.0003815300000000, 0.0000757600000000, 0.0004763300000000 ] - [ 0.0003468200000000, -0.0005301200000000, 0.0001978300000000 ] - [ -0.0001030600000000, -0.0010987600000000, 0.0002859400000000 ] - [ 0.0000380200000000, -0.0009343800000000, 0.0004008600000000 ] - [ 0.0000592200000000, -0.0002552600000000, 0.0000501000000000 ] - [ 0.0003065700000000, 0.0000210800000000, -0.0004572000000000 ] - [ -0.0002056300000000, 0.0002419300000000, -0.0001691300000000 ] - [ -0.0001079300000000, 0.0002881500000000, 0.0000751000000000 ] - [ 0.0000941200000000, -0.0004662700000000, -0.0004712300000000 ] - [ -0.0003080700000000, -0.0000513400000000, -0.0005245300000000 ] - [ 0.0004269700000000, -0.0011876100000000, -0.0000124000000000 ] - [ -0.0004293200000000, -0.0011878500000000, 0.0000552600000000 ] - [ 0.0001158400000000, -0.0013734400000000, -0.0001522900000000 ] - [ 0.0001544200000000, -0.0005155600000000, 0.0001207000000000 ] - [ -0.0001023400000000, -0.0000844300000000, -0.0008630200000000 ] - [ 0.0020152900000000, -0.0019508000000000, -0.0002506100000000 ] - [ 0.0014407500000000, -0.0009006700000000, -0.0000922200000000 ] - [ -0.0004430200000000, 0.0001395700000000, -0.0004246600000000 ] - [ 0.0005742500000000, 0.0010765500000000, 0.0006417800000000 ] - [ -0.0005275900000000, 0.0006707100000000, -0.0000637000000000 ] - [ 0.0003274000000000, -0.0007532500000000, 0.0002646300000000 ] - [ 0.0001980500000000, -0.0004255400000000, 0.0005755100000000 ] - [ -0.0001466400000000, -0.0006765500000000, 0.0004847100000000 ] - [ 0.0001320900000000, 0.0003244700000000, -0.0006124900000000 ] - [ -0.0003952800000000, -0.0009404000000000, 0.0004036200000000 ] - [ 0.0001787800000000, -0.0007950800000000, 0.0007283900000000 ] - [ -0.0012155500000000, -0.0019480300000000, -0.0040732600000000 ] - [ 0.0002381200000000, -0.0009109100000000, 0.0002870900000000 ] - [ -0.0002450000000000, -0.0001413700000000, -0.0000659100000000 ] - [ -0.0021282800000000, -0.0002985900000000, 0.0028708300000000 ] - [ -0.0004081200000000, 0.0007192600000000, -0.0004060900000000 ] - [ -0.0002565100000000, 0.0014291600000000, -0.0001384600000000 ] - [ 0.0005592400000000, 0.0004149200000000, -0.0001503900000000 ] - [ -0.0001870600000000, -0.0006545700000000, -0.0000788400000000 ] - [ 0.0008424100000000, 0.0020066100000000, -0.0018746200000000 ] - [ -0.0001523400000000, -0.0000102800000000, -0.0003079800000000 ] - [ 0.0003601900000000, -0.0000223400000000, 0.0002024000000000 ] - [ -0.0001629900000000, -0.0005460700000000, -0.0013908500000000 ] - [ -0.0019767600000000, 0.0155209200000000, -0.0111569900000000 ] - [ -0.0001309700000000, -0.0001128700000000, 0.0003678400000000 ] - [ -0.0001329600000000, -0.0009301800000000, -0.0000104200000000 ] - [ -0.0000569100000000, -0.0004549600000000, -0.0003677700000000 ] - [ -0.0001769700000000, 0.0000209400000000, -0.0002561700000000 ] - [ 0.0002396300000000, -0.0002491600000000, -0.0002173800000000 ] - [ 0.0024299200000000, 0.0011215600000000, 0.0035589100000000 ] - [ 0.0001525700000000, -0.0003524200000000, -0.0001839400000000 ] - [ 0.0003261200000000, 0.0031787100000000, 0.0005159800000000 ] - [ -0.0007556100000000, -0.0007660000000000, -0.0002001000000000 ] - [ -0.0004584400000000, 0.0002334600000000, -0.0000803100000000 ] - [ -0.0004479400000000, -0.0006741100000000, -0.0000445300000000 ] - [ -0.0003344000000000, -0.0018809400000000, -0.0007235900000000 ] - [ -0.0001749700000000, -0.0003644300000000, 0.0000885700000000 ] - [ -0.0000961900000000, -0.0002066600000000, 0.0001897900000000 ] - [ 0.0002904700000000, -0.0001802700000000, -0.0004331400000000 ] - [ -0.0002020500000000, -0.0006319700000000, 0.0004849300000000 ] - [ -0.0011011900000000, 0.0004180000000000, 0.0001292000000000 ] - [ -0.0003519800000000, -0.0010095900000000, 0.0000214800000000 ] - [ -0.0003923300000000, 0.0019360800000000, -0.0032956100000000 ] - [ -0.0000567900000000, 0.0001510100000000, -0.0008793300000000 ] - [ -0.0015326100000000, -0.0014335500000000, 0.0001640300000000 ] - [ 0.0004981300000000, 0.0002585600000000, -0.0011733400000000 ] - [ 0.0011927800000000, -0.0001277600000000, -0.0011494600000000 ] - [ -0.0004552100000000, -0.0004165800000000, 0.0001712400000000 ] - [ -0.0001912300000000, -0.0002984300000000, 0.0002526500000000 ] - [ 0.0002554900000000, -0.0010997700000000, 0.0002101900000000 ] - [ 0.0001849000000000, -0.0003142000000000, 0.0000510300000000 ] - [ 0.0002457200000000, -0.0007405000000000, -0.0005035000000000 ] - [ 0.0001520300000000, -0.0008366600000000, -0.0003330200000000 ] - [ 0.0000829000000000, -0.0002126900000000, -0.0006780400000000 ] - [ 0.0001368300000000, 0.0003360500000000, 0.0003902100000000 ] - [ -0.0001462600000000, -0.0006243000000000, -0.0001243400000000 ] - [ 0.0000950300000000, -0.0003482200000000, -0.0006666400000000 ] - [ -0.0005063900000000, -0.0000524000000000, 0.0001337900000000 ] - [ -0.0000898800000000, -0.0001947300000000, 0.0003157700000000 ] - [ -0.0000495800000000, 0.0005093100000000, -0.0001505500000000 ] - [ -0.0004453000000000, 0.0000848900000000, -0.0005092600000000 ] - [ 0.0007553600000000, 0.0003485600000000, -0.0004240600000000 ] - [ 0.0006197400000000, -0.0010821900000000, -0.0002204400000000 ] - [ -0.0004148100000000, -0.0000888400000000, 0.0001567500000000 ] - [ 0.0001833700000000, -0.0003903900000000, -0.0005451000000000 ] - [ -0.0002071600000000, -0.0000299200000000, -0.0002513100000000 ] - [ 0.0001860800000000, 0.0014357300000000, 0.0001363700000000 ] - [ 0.0003753100000000, -0.0010482000000000, -0.0000491300000000 ] - [ 0.0020964800000000, 0.0014999000000000, 0.0003765700000000 ]- atom: 89 displacement: [ -0.0035230240541542, 0.0000000000000000, 0.0093588621911988 ] forces: - [ 0.0003474200000000, -0.0005813300000000, 0.0002735000000000 ] - [ -0.0014834500000000, 0.0002402000000000, -0.0012383400000000 ] - [ 0.0003584200000000, -0.0002381500000000, -0.0003185800000000 ] - [ 0.0001094800000000, -0.0003325800000000, -0.0001075000000000 ] - [ -0.0015125500000000, 0.0006344800000000, 0.0043781700000000 ] - [ -0.0001843600000000, -0.0002277800000000, -0.0011241800000000 ] - [ -0.0000640300000000, 0.0017354800000000, 0.0052375700000000 ] - [ 0.0004000100000000, 0.0001586700000000, 0.0002960400000000 ] - [ -0.0000067800000000, -0.0002008500000000, 0.0002452200000000 ] - [ -0.0000827400000000, 0.0038625600000000, 0.0025709300000000 ] - [ -0.0002235800000000, -0.0002253100000000, 0.0005097000000000 ] - [ 0.0000650200000000, -0.0002847000000000, -0.0005455100000000 ] - [ 0.0005826900000000, 0.0000716200000000, -0.0005920100000000 ] - [ 0.0000622300000000, -0.0001004200000000, -0.0005253500000000 ] - [ 0.0015796900000000, -0.0006886500000000, -0.0022497300000000 ] - [ -0.0022924000000000, -0.0003703100000000, 0.0048315900000000 ] - [ 0.0000671000000000, 0.0002324800000000, 0.0004264900000000 ] - [ -0.0005406500000000, -0.0004372900000000, 0.0006663700000000 ] - [ 0.0004568700000000, 0.0003675100000000, -0.0021078600000000 ] - [ 0.0000897300000000, -0.0000385200000000, 0.0003075700000000 ] - [ -0.0022638900000000, -0.0017265700000000, 0.0008538500000000 ] - [ 0.0000647700000000, 0.0006622800000000, -0.0012058600000000 ] - [ -0.0002144100000000, -0.0000874800000000, -0.0002704500000000 ] - [ 0.0000343200000000, 0.0000374800000000, -0.0000503300000000 ] - [ -0.0007729500000000, -0.0020578400000000, -0.0001780300000000 ] - [ 0.0008721400000000, -0.0028532500000000, -0.0020574800000000 ] - [ -0.0004373000000000, -0.0006945500000000, -0.0006849300000000 ] - [ 0.0006228300000000, 0.0025188900000000, -0.0021632100000000 ] - [ 0.0052197200000000, -0.0005829100000000, 0.0006084000000000 ] - [ -0.0000029700000000, -0.0001695900000000, -0.0005898800000000 ] - [ 0.0022676700000000, 0.0006925500000000, -0.0179996700000000 ] - [ 0.0003839500000000, 0.0007976700000000, -0.0032230500000000 ] - [ 0.0021653200000000, 0.0013140600000000, 0.0048723600000000 ] - [ -0.0089080600000000, 0.0087841500000000, 0.0567457900000000 ] - [ -0.0004206800000000, 0.0009945700000000, 0.0016348300000000 ] - [ 0.0007577700000000, 0.0033962600000000, 0.0002831400000000 ] - [ 0.0003495000000000, -0.0004788700000000, 0.0010855400000000 ] - [ 0.0135119000000000, -0.0094065100000000, -0.0071088300000000 ] - [ -0.0009336500000000, 0.0021633700000000, -0.0007001900000000 ] - [ -0.0022924900000000, -0.0001044500000000, -0.0045996600000000 ] - [ 0.0000838400000000, -0.0002958400000000, -0.0003295100000000 ] - [ 0.0003908500000000, -0.0001296000000000, 0.0005262200000000 ] - [ -0.0035307300000000, -0.0030571100000000, 0.0021022800000000 ] - [ -0.0022100200000000, 0.0064197300000000, -0.0027789600000000 ] - [ 0.0000379700000000, 0.0002117900000000, 0.0004925700000000 ] - [ 0.0001704000000000, -0.0016857700000000, -0.0017901400000000 ] - [ -0.0000679000000000, -0.0000144300000000, 0.0005897200000000 ] - [ 0.0023999100000000, -0.0036428500000000, 0.0016053500000000 ] - [ 0.0000652600000000, -0.0002824000000000, 0.0000047900000000 ] - [ -0.0008294000000000, -0.0031940400000000, -0.0005334500000000 ] - [ 0.0000623100000000, 0.0000233800000000, -0.0008410900000000 ] - [ 0.0005913900000000, 0.0001427100000000, 0.0026469000000000 ] - [ 0.0003776400000000, 0.0005265800000000, -0.0001440000000000 ] - [ 0.0012451400000000, 0.0011278900000000, -0.0006183300000000 ] - [ -0.0015172700000000, -0.0073278000000000, -0.0005207700000000 ] - [ -0.0009768700000000, -0.0001445800000000, -0.0013843800000000 ] - [ 0.0008477400000000, -0.0003080000000000, -0.0001819500000000 ] - [ -0.0061818000000000, 0.0033964500000000, 0.0004302900000000 ] - [ -0.0000988400000000, 0.0011475000000000, -0.0001127400000000 ] - [ 0.0000868000000000, -0.0009478100000000, 0.0000596800000000 ] - [ -0.0001113300000000, 0.0000623500000000, 0.0003309400000000 ] - [ -0.0004794000000000, 0.0005118800000000, -0.0039611100000000 ] - [ -0.0001510600000000, 0.0010412100000000, 0.0001865600000000 ] - [ -0.0004308800000000, -0.0009586900000000, -0.0000848600000000 ] - [ 0.0009132400000000, 0.0008897700000000, -0.0025134100000000 ] - [ 0.0001579400000000, -0.0004809700000000, -0.0006817500000000 ] - [ -0.0003353100000000, -0.0004670000000000, -0.0017364100000000 ] - [ 0.0002316200000000, 0.0000885700000000, 0.0003487500000000 ] - [ -0.0057971800000000, -0.0022267000000000, -0.0076381500000000 ] - [ -0.0001427700000000, -0.0017917300000000, 0.0022978900000000 ] - [ -0.0000665000000000, 0.0002132000000000, -0.0016338700000000 ] - [ 0.0030298200000000, 0.0022538000000000, -0.0010431200000000 ] - [ 0.0005765000000000, -0.0005307300000000, 0.0014709400000000 ] - [ -0.0436012600000000, 0.0518322300000000, 0.1728081800000000 ] - [ 0.0006308300000000, -0.0000718400000000, 0.0013100400000000 ] - [ 0.0016153900000000, 0.0015197800000000, 0.0032805500000000 ] - [ 0.0041807000000000, 0.0074361200000000, -0.0000369300000000 ] - [ -0.0025330900000000, 0.0009386000000000, -0.0008076400000000 ] - [ 0.0002473100000000, -0.0007302800000000, 0.0001139800000000 ] - [ -0.0002588200000000, -0.0002301600000000, -0.0000726800000000 ] - [ -0.0024118700000000, -0.0021694600000000, 0.0021404900000000 ] - [ 0.0003673500000000, -0.0008660900000000, -0.0013838000000000 ] - [ -0.0022119500000000, 0.0017477000000000, -0.0022792100000000 ] - [ -0.0019853800000000, -0.0013969500000000, 0.0005060900000000 ] - [ 0.0001108700000000, 0.0003997000000000, 0.0005304000000000 ] - [ 0.0001291300000000, -0.0001930700000000, -0.0016623000000000 ] - [ -0.0412448400000000, 0.0422803300000000, 0.0325123700000000 ] - [ 0.0010050700000000, -0.0009237900000000, 0.0015424400000000 ] - [ 0.0668225200000000, -0.1061341400000000, -0.3443922300000000 ] - [ -0.0012211000000000, 0.0078244500000000, 0.0018175900000000 ] - [ -0.0007558500000000, -0.0006996000000000, -0.0006171800000000 ] - [ 0.0011969100000000, -0.0006879200000000, 0.0004012400000000 ] - [ -0.0005739500000000, -0.0001885200000000, 0.0013161500000000 ] - [ 0.0002882900000000, 0.0003578000000000, 0.0007200600000000 ] - [ -0.0001493500000000, -0.0006614500000000, 0.0000860800000000 ] - [ 0.0001937000000000, -0.0016090200000000, 0.0002636600000000 ] - [ 0.0003200700000000, 0.0009541800000000, 0.0002853600000000 ] - [ -0.0002263000000000, -0.0008913100000000, 0.0012236500000000 ] - [ -0.0005277600000000, -0.0003116500000000, 0.0023715800000000 ] - [ -0.0000901600000000, 0.0001332300000000, 0.0002978400000000 ] - [ 0.0001382300000000, 0.0001204600000000, -0.0011201100000000 ] - [ -0.0000154400000000, -0.0002331600000000, 0.0013360400000000 ] - [ -0.0002453800000000, 0.0026343000000000, -0.0005715300000000 ] - [ 0.0002521000000000, 0.0018296800000000, 0.0003399400000000 ] - [ 0.0004149900000000, -0.0008713400000000, -0.0003603400000000 ] - [ -0.0000298800000000, 0.0000431100000000, -0.0002493200000000 ] - [ -0.0006123800000000, 0.0005900400000000, 0.0012253600000000 ] - [ -0.0000346100000000, 0.0009910400000000, -0.0029168500000000 ] - [ -0.0000282900000000, 0.0000587000000000, -0.0011038000000000 ] - [ 0.0004023000000000, 0.0011267000000000, 0.0016174700000000 ] - [ -0.0002572100000000, -0.0008712700000000, -0.0007830100000000 ] - [ 0.0043080000000000, -0.0014800700000000, 0.0034459900000000 ] - [ 0.0006005700000000, 0.0015222400000000, -0.0023013200000000 ] - [ -0.0002105900000000, 0.0000291300000000, -0.0003779900000000 ] - [ -0.0002720700000000, -0.0000806000000000, 0.0000936900000000 ] - [ 0.0007148600000000, 0.0000786600000000, 0.0026807400000000 ] - [ -0.0002016200000000, -0.0001194300000000, -0.0005739400000000 ] - [ 0.0004215500000000, -0.0012070800000000, -0.0004493900000000 ] - [ 0.0062511300000000, 0.0083317100000000, 0.0015996200000000 ] - [ 0.0000580100000000, 0.0004231400000000, 0.0001989400000000 ] - [ -0.0001886900000000, 0.0008775200000000, 0.0001300200000000 ] - [ -0.0017437600000000, -0.0064293700000000, 0.0016583400000000 ] - [ 0.0019526900000000, -0.0002355100000000, 0.0018446500000000 ] - [ 0.0021538600000000, -0.0022094100000000, 0.0020380500000000 ] - [ 0.0022033100000000, -0.0008989100000000, -0.0018305800000000 ] - [ -0.0002105900000000, 0.0001516500000000, -0.0006292400000000 ] - [ -0.0024841800000000, -0.0017789600000000, 0.0024041500000000 ] - [ 0.0006520000000000, 0.0003460000000000, 0.0014027700000000 ] - [ 0.0000584900000000, -0.0003583200000000, 0.0002252200000000 ] - [ 0.0007278100000000, 0.0030981700000000, 0.0029052300000000 ] - [ 0.0211037000000000, 0.0114067200000000, 0.0600493100000000 ] - [ -0.0014129200000000, -0.0018095900000000, 0.0017270100000000 ] - [ 0.0000127000000000, -0.0007072500000000, -0.0000895600000000 ] - [ 0.0003204200000000, 0.0017298600000000, -0.0006616000000000 ] - [ -0.0008755900000000, 0.0003955900000000, 0.0005360400000000 ] - [ -0.0001422700000000, 0.0013272000000000, -0.0000171500000000 ] - [ 0.0111989800000000, -0.0073395400000000, 0.0018343800000000 ] - [ 0.0001693500000000, 0.0000035900000000, 0.0001972700000000 ] - [ -0.0116873100000000, -0.0046212900000000, 0.0037265700000000 ] - [ -0.0001947200000000, 0.0003103200000000, -0.0000806500000000 ] - [ -0.0005280300000000, -0.0004072400000000, -0.0004839000000000 ] - [ -0.0004208500000000, 0.0000892200000000, -0.0005114900000000 ] - [ 0.0015010000000000, 0.0053452100000000, 0.0001296500000000 ] - [ -0.0001345800000000, 0.0003669600000000, 0.0007916700000000 ] - [ -0.0002118000000000, 0.0010070900000000, 0.0001327900000000 ] - [ -0.0001388900000000, 0.0003141000000000, 0.0007645100000000 ] - [ -0.0001323900000000, 0.0003020300000000, -0.0001686000000000 ] - [ -0.0046694300000000, -0.0037635000000000, -0.0011362500000000 ] - [ -0.0005593200000000, -0.0006007600000000, -0.0002897600000000 ] - [ 0.0017680900000000, -0.0071314200000000, 0.0175378800000000 ] - [ 0.0006685800000000, 0.0017873400000000, 0.0052983600000000 ] - [ -0.0000513200000000, -0.0004017800000000, -0.0027035700000000 ] - [ -0.0010311200000000, -0.0005558200000000, 0.0047007100000000 ] - [ -0.0015986100000000, 0.0017386900000000, 0.0020993600000000 ] - [ -0.0001997200000000, 0.0000439100000000, 0.0004308200000000 ] - [ -0.0003108800000000, -0.0003220000000000, 0.0002184800000000 ] - [ 0.0000371900000000, -0.0004272900000000, 0.0000008900000000 ] - [ 0.0003113600000000, 0.0000556400000000, 0.0006095300000000 ] - [ 0.0001085300000000, 0.0000566800000000, 0.0002698500000000 ] - [ -0.0001264200000000, 0.0005052500000000, -0.0002546900000000 ] - [ -0.0004463600000000, -0.0001368100000000, 0.0021527300000000 ] - [ 0.0015398900000000, -0.0030453300000000, 0.0004319900000000 ] - [ -0.0000727300000000, 0.0009461700000000, 0.0000113800000000 ] - [ 0.0004696400000000, 0.0004263400000000, -0.0013201200000000 ] - [ -0.0002370000000000, 0.0001895900000000, -0.0012046800000000 ] - [ 0.0000976400000000, -0.0000271400000000, 0.0007660500000000 ] - [ -0.0006132100000000, -0.0005289600000000, 0.0042467900000000 ] - [ 0.0016083600000000, 0.0027626800000000, 0.0022114500000000 ] - [ -0.0009859000000000, 0.0006830100000000, -0.0004491400000000 ] - [ 0.0002529900000000, 0.0004326900000000, -0.0001749900000000 ] - [ -0.0001728400000000, -0.0001308800000000, 0.0002444600000000 ] - [ 0.0006922500000000, 0.0002797500000000, 0.0006560600000000 ] - [ -0.0002215900000000, 0.0009586500000000, -0.0004242700000000 ] - [ -0.0017552700000000, -0.0007134200000000, -0.0042156900000000 ] - [ 0.0002323400000000, -0.0000269600000000, -0.0000036900000000 ] - [ -0.0033263600000000, -0.0012521700000000, -0.0024921300000000 ]- atom: 89 displacement: [ 0.0035230240541542, 0.0000000000000000, -0.0093588621911988 ] forces: - [ -0.0001581600000000, 0.0003634200000000, -0.0000876400000000 ] - [ 0.0013406600000000, 0.0002032300000000, 0.0011857900000000 ] - [ 0.0002613100000000, 0.0002278200000000, 0.0001765500000000 ] - [ -0.0000174200000000, -0.0003339200000000, 0.0003854600000000 ] - [ 0.0014082800000000, -0.0013015600000000, -0.0046495900000000 ] - [ -0.0000060600000000, 0.0000044900000000, 0.0009314900000000 ] - [ -0.0000732600000000, -0.0015090400000000, -0.0054057100000000 ] - [ 0.0004701400000000, 0.0001832000000000, -0.0000770900000000 ] - [ 0.0000668500000000, 0.0000916100000000, -0.0003620200000000 ] - [ 0.0000319700000000, -0.0036965200000000, -0.0025127000000000 ] - [ 0.0003157600000000, 0.0008922000000000, -0.0002342500000000 ] - [ 0.0000665600000000, -0.0001574300000000, 0.0005981000000000 ] - [ 0.0002891300000000, -0.0004092700000000, 0.0008143000000000 ] - [ -0.0000020900000000, 0.0002114600000000, 0.0004080200000000 ] - [ -0.0016222900000000, 0.0005688600000000, 0.0023521900000000 ] - [ 0.0016826100000000, 0.0003035500000000, -0.0046756100000000 ] - [ -0.0002012300000000, -0.0006741200000000, -0.0004857300000000 ] - [ -0.0003287900000000, 0.0001027500000000, -0.0008814600000000 ] - [ -0.0013230100000000, -0.0000245400000000, 0.0018798800000000 ] - [ 0.0000419600000000, 0.0004832900000000, -0.0002534000000000 ] - [ 0.0028738400000000, 0.0017265200000000, -0.0010187600000000 ] - [ -0.0001555500000000, 0.0000029400000000, 0.0009261700000000 ] - [ -0.0004048800000000, 0.0000969000000000, 0.0004115000000000 ] - [ 0.0001553700000000, 0.0001816000000000, 0.0002384500000000 ] - [ 0.0012823700000000, 0.0017371800000000, 0.0010757300000000 ] - [ -0.0007863700000000, 0.0023810900000000, 0.0023344300000000 ] - [ 0.0000457200000000, -0.0003312600000000, 0.0013484200000000 ] - [ -0.0011258000000000, -0.0028465600000000, 0.0012407100000000 ] - [ -0.0052741700000000, 0.0010494000000000, -0.0008597400000000 ] - [ 0.0001852000000000, 0.0004925900000000, -0.0002712500000000 ] - [ -0.0024634600000000, -0.0003817200000000, 0.0188697100000000 ] - [ -0.0002731600000000, -0.0004333800000000, 0.0032660400000000 ] - [ -0.0025560600000000, -0.0002956500000000, -0.0041947100000000 ] - [ 0.0082655500000000, -0.0081527100000000, -0.0537353300000000 ] - [ 0.0003097600000000, -0.0013638300000000, -0.0017031500000000 ] - [ -0.0005780300000000, -0.0037076200000000, -0.0011276700000000 ] - [ 0.0000230400000000, 0.0006715000000000, -0.0011793200000000 ] - [ -0.0131221000000000, 0.0083743700000000, 0.0064359700000000 ] - [ 0.0008453500000000, -0.0026455400000000, 0.0003994400000000 ] - [ 0.0026600300000000, -0.0000713800000000, 0.0044873700000000 ] - [ -0.0001962100000000, 0.0006696000000000, 0.0002504200000000 ] - [ 0.0001178800000000, 0.0004567500000000, 0.0003817400000000 ] - [ 0.0036235800000000, 0.0026788200000000, -0.0019952200000000 ] - [ 0.0018128900000000, -0.0061841400000000, 0.0028975800000000 ] - [ -0.0004108000000000, -0.0003887600000000, -0.0003953800000000 ] - [ 0.0002197500000000, 0.0027003400000000, 0.0011210400000000 ] - [ 0.0001529300000000, 0.0004931600000000, -0.0003051000000000 ] - [ -0.0025676400000000, 0.0033105400000000, -0.0007169000000000 ] - [ -0.0003959300000000, -0.0001958100000000, -0.0000524200000000 ] - [ 0.0008902900000000, 0.0035783900000000, 0.0006968700000000 ] - [ 0.0003753400000000, 0.0000553400000000, 0.0001423400000000 ] - [ -0.0003130000000000, -0.0002747800000000, -0.0021075900000000 ] - [ 0.0000365900000000, 0.0001470300000000, -0.0000864500000000 ] - [ -0.0016597000000000, -0.0004503600000000, 0.0008447600000000 ] - [ 0.0018232900000000, 0.0068019200000000, 0.0005755600000000 ] - [ 0.0012632500000000, -0.0006202200000000, 0.0009279300000000 ] - [ -0.0008199700000000, 0.0009159100000000, -0.0000324800000000 ] - [ 0.0065922700000000, -0.0040777600000000, -0.0006618700000000 ] - [ 0.0000346200000000, -0.0007621200000000, -0.0000507300000000 ] - [ -0.0001141300000000, 0.0003459300000000, 0.0001544500000000 ] - [ -0.0001821700000000, 0.0000823200000000, -0.0008738700000000 ] - [ 0.0007723200000000, -0.0003688200000000, 0.0045057500000000 ] - [ 0.0001220700000000, -0.0004361300000000, 0.0000280800000000 ] - [ 0.0000156200000000, 0.0002863500000000, 0.0003149100000000 ] - [ -0.0011991000000000, -0.0010283400000000, 0.0019666200000000 ] - [ 0.0000980400000000, 0.0002196800000000, 0.0005429000000000 ] - [ 0.0000786100000000, 0.0007262400000000, 0.0018708800000000 ] - [ 0.0000609100000000, 0.0006833400000000, -0.0008091100000000 ] - [ 0.0054531500000000, 0.0029774200000000, 0.0080382200000000 ] - [ 0.0003990700000000, 0.0020534600000000, -0.0024462000000000 ] - [ -0.0003678400000000, -0.0002923300000000, 0.0023287000000000 ] - [ -0.0026905700000000, -0.0017811600000000, 0.0010881500000000 ] - [ -0.0008599400000000, -0.0002261200000000, -0.0010242800000000 ] - [ 0.0455459300000000, -0.0583094700000000, -0.1857167800000000 ] - [ -0.0001956800000000, -0.0000101600000000, -0.0020169300000000 ] - [ -0.0018795300000000, -0.0017950900000000, -0.0031494300000000 ] - [ -0.0042456500000000, -0.0077645900000000, -0.0001038400000000 ] - [ 0.0025619100000000, -0.0015520000000000, 0.0005921100000000 ] - [ -0.0001818400000000, 0.0003498300000000, 0.0000495100000000 ] - [ -0.0000723800000000, 0.0007109700000000, 0.0000245300000000 ] - [ 0.0029286600000000, 0.0029636500000000, -0.0020665000000000 ] - [ -0.0004960900000000, 0.0008391500000000, 0.0022502900000000 ] - [ 0.0016445900000000, -0.0019415500000000, 0.0027470200000000 ] - [ 0.0016871600000000, 0.0021547000000000, -0.0007433100000000 ] - [ -0.0000313700000000, -0.0004772100000000, 0.0001335200000000 ] - [ 0.0003473100000000, 0.0002706700000000, 0.0018506500000000 ] - [ 0.0420386200000000, -0.0429354300000000, -0.0329445100000000 ] - [ -0.0015433100000000, 0.0009974400000000, -0.0017464600000000 ] - [ -0.0693766900000000, 0.1131868100000000, 0.3552431900000000 ] - [ 0.0017290900000000, -0.0085253200000000, -0.0017672000000000 ] - [ 0.0009961500000000, 0.0008272100000000, 0.0009191400000000 ] - [ -0.0014476000000000, 0.0017656200000000, -0.0000444000000000 ] - [ 0.0000902700000000, 0.0006899200000000, -0.0004789600000000 ] - [ 0.0002885200000000, -0.0003851900000000, -0.0001305100000000 ] - [ -0.0000018700000000, -0.0005313000000000, 0.0002502700000000 ] - [ 0.0000314600000000, 0.0005005000000000, -0.0006237000000000 ] - [ -0.0000260200000000, -0.0002021000000000, -0.0000406600000000 ] - [ 0.0003772000000000, -0.0003002200000000, -0.0015514500000000 ] - [ 0.0001431100000000, 0.0003918500000000, -0.0019835800000000 ] - [ -0.0003129700000000, 0.0007416900000000, -0.0003451400000000 ] - [ -0.0000044100000000, -0.0001038900000000, 0.0002633500000000 ] - [ -0.0005608900000000, 0.0002628200000000, -0.0019198700000000 ] - [ 0.0008227500000000, -0.0026097800000000, 0.0011680200000000 ] - [ -0.0004772800000000, -0.0029386800000000, 0.0000283000000000 ] - [ -0.0001645600000000, -0.0001997600000000, 0.0000094400000000 ] - [ -0.0002331600000000, 0.0000674200000000, 0.0004531700000000 ] - [ 0.0001405900000000, -0.0005141200000000, -0.0014186000000000 ] - [ 0.0005278800000000, -0.0005116700000000, 0.0020632100000000 ] - [ 0.0003033200000000, -0.0001788600000000, 0.0008947800000000 ] - [ -0.0007268900000000, -0.0005733500000000, -0.0010273500000000 ] - [ -0.0000583500000000, 0.0003329000000000, 0.0013895100000000 ] - [ -0.0037262100000000, 0.0013851400000000, -0.0032258300000000 ] - [ -0.0002775300000000, -0.0009726600000000, 0.0017142100000000 ] - [ 0.0002900100000000, 0.0000480200000000, 0.0010379000000000 ] - [ -0.0002084900000000, -0.0004242300000000, 0.0007471400000000 ] - [ -0.0004504200000000, 0.0000326200000000, -0.0028832100000000 ] - [ 0.0007391300000000, 0.0001915900000000, 0.0007807200000000 ] - [ -0.0001041300000000, 0.0013059000000000, 0.0007741100000000 ] - [ -0.0064721700000000, -0.0090084100000000, -0.0018823600000000 ] - [ 0.0002590900000000, -0.0005296300000000, 0.0001355900000000 ] - [ -0.0003327700000000, -0.0000923800000000, -0.0001896600000000 ] - [ 0.0014559200000000, 0.0061724000000000, -0.0013539300000000 ] - [ -0.0022724400000000, 0.0001368500000000, -0.0021753500000000 ] - [ -0.0019524700000000, 0.0025459100000000, -0.0019150000000000 ] - [ -0.0026032300000000, 0.0000282100000000, 0.0017684900000000 ] - [ -0.0000379200000000, -0.0002896800000000, 0.0003347500000000 ] - [ 0.0024003600000000, 0.0017099500000000, -0.0030632400000000 ] - [ -0.0008981300000000, -0.0002138200000000, -0.0016944300000000 ] - [ 0.0008923500000000, 0.0005109100000000, -0.0000952600000000 ] - [ 0.0002130900000000, -0.0025295900000000, -0.0030287100000000 ] - [ -0.0220135700000000, -0.0117185200000000, -0.0608473800000000 ] - [ 0.0011444000000000, 0.0016879100000000, -0.0015246100000000 ] - [ -0.0002117900000000, 0.0003787600000000, -0.0000326900000000 ] - [ -0.0001680500000000, -0.0005375700000000, 0.0003211800000000 ] - [ -0.0000734400000000, -0.0002468900000000, -0.0006591400000000 ] - [ 0.0003946500000000, -0.0002587100000000, -0.0003322900000000 ] - [ -0.0101956000000000, 0.0071532200000000, -0.0017845300000000 ] - [ 0.0002141200000000, -0.0000814600000000, -0.0005788400000000 ] - [ 0.0117969500000000, 0.0056786600000000, -0.0040948400000000 ] - [ -0.0007548200000000, -0.0004627300000000, -0.0000466900000000 ] - [ 0.0002732400000000, -0.0006651500000000, 0.0008228600000000 ] - [ -0.0001242700000000, -0.0001732500000000, 0.0003047500000000 ] - [ -0.0015675400000000, -0.0052373400000000, -0.0007920600000000 ] - [ -0.0004319400000000, -0.0001694800000000, -0.0003276700000000 ] - [ -0.0000141500000000, 0.0000970700000000, 0.0002336700000000 ] - [ 0.0005960900000000, -0.0002252800000000, -0.0010070100000000 ] - [ -0.0001003800000000, -0.0004531600000000, 0.0006045800000000 ] - [ 0.0037155600000000, 0.0031774800000000, 0.0012563900000000 ] - [ 0.0000372500000000, -0.0001871900000000, 0.0002274300000000 ] - [ -0.0015207200000000, 0.0068911400000000, -0.0170507400000000 ] - [ -0.0004297000000000, -0.0019176900000000, -0.0056914500000000 ] - [ 0.0002694300000000, 0.0005262400000000, 0.0022606000000000 ] - [ 0.0015129600000000, 0.0000546700000000, -0.0055413700000000 ] - [ 0.0020013800000000, -0.0008682200000000, -0.0020481500000000 ] - [ -0.0002583900000000, -0.0001297500000000, -0.0001852700000000 ] - [ 0.0000216200000000, 0.0005426800000000, 0.0001174500000000 ] - [ 0.0002578700000000, -0.0003268300000000, 0.0002416000000000 ] - [ 0.0001582100000000, -0.0001272200000000, -0.0004151900000000 ] - [ 0.0002186200000000, -0.0006050500000000, -0.0008575500000000 ] - [ 0.0004140300000000, -0.0007273900000000, -0.0000818700000000 ] - [ 0.0005787000000000, 0.0001170300000000, -0.0030054100000000 ] - [ -0.0016846300000000, 0.0042361400000000, -0.0001004900000000 ] - [ -0.0001281500000000, -0.0006216000000000, -0.0001311500000000 ] - [ -0.0000865700000000, -0.0003476200000000, 0.0009463500000000 ] - [ -0.0002180000000000, -0.0001011400000000, 0.0014492700000000 ] - [ -0.0003288700000000, 0.0001741300000000, -0.0003357900000000 ] - [ 0.0004757400000000, 0.0005468200000000, -0.0033950600000000 ] - [ -0.0013210600000000, -0.0025465400000000, -0.0025452600000000 ] - [ 0.0011870400000000, -0.0010099100000000, 0.0005539200000000 ] - [ 0.0006837800000000, -0.0009988900000000, 0.0000435800000000 ] - [ -0.0007644400000000, 0.0006960300000000, -0.0001144500000000 ] - [ -0.0001235400000000, -0.0004742700000000, -0.0011156600000000 ] - [ -0.0000930700000000, -0.0008578900000000, 0.0000877600000000 ] - [ 0.0011897100000000, 0.0006951200000000, 0.0036139100000000 ] - [ 0.0001723900000000, -0.0008476800000000, 0.0000528900000000 ] - [ 0.0039018800000000, 0.0014611600000000, 0.0020377600000000 ]- atom: 91 displacement: [ 0.0099999639143206, 0.0000000000000000, -0.0000268647033593 ] forces: - [ 0.0000731800000000, -0.0003386200000000, 0.0001413000000000 ] - [ -0.0000713800000000, 0.0003386300000000, -0.0001916900000000 ] - [ 0.0002361800000000, 0.0000318300000000, -0.0006507700000000 ] - [ 0.0000796700000000, -0.0003640300000000, 0.0000786200000000 ] - [ -0.0009648400000000, -0.0005469900000000, 0.0002206500000000 ] - [ -0.0001148900000000, 0.0002457100000000, 0.0001777700000000 ] - [ 0.0003039600000000, 0.0006121800000000, 0.0000754500000000 ] - [ -0.0007074800000000, 0.0002865900000000, 0.0003713500000000 ] - [ -0.0003113800000000, -0.0001612000000000, 0.0000124100000000 ] - [ 0.0062645700000000, 0.0043903500000000, -0.0012364100000000 ] - [ 0.0000542600000000, 0.0004241700000000, 0.0001752800000000 ] - [ 0.0000558800000000, -0.0003199800000000, 0.0000438600000000 ] - [ 0.0004335000000000, -0.0002221200000000, 0.0000504300000000 ] - [ 0.0000330500000000, 0.0000517100000000, -0.0001260100000000 ] - [ 0.0000280900000000, -0.0000667200000000, -0.0000783100000000 ] - [ -0.0002905400000000, -0.0001536800000000, 0.0001618300000000 ] - [ -0.0031411700000000, 0.0020439600000000, 0.0010139100000000 ] - [ -0.0001345500000000, 0.0008125400000000, 0.0030295800000000 ] - [ -0.0003792600000000, 0.0000908100000000, -0.0001713000000000 ] - [ 0.0005749100000000, -0.0000409800000000, 0.0000514400000000 ] - [ 0.0001294100000000, -0.0001328900000000, -0.0000274800000000 ] - [ -0.0001364400000000, 0.0001299600000000, -0.0007842500000000 ] - [ 0.0004160300000000, 0.0000412600000000, 0.0000397200000000 ] - [ 0.0001134600000000, 0.0000017100000000, -0.0000571600000000 ] - [ 0.0000466700000000, -0.0003399700000000, 0.0004760700000000 ] - [ 0.0002804900000000, -0.0005279300000000, 0.0001256800000000 ] - [ -0.0018691400000000, -0.0002884700000000, -0.0001193100000000 ] - [ 0.0094821200000000, -0.0012480000000000, -0.0064532600000000 ] - [ -0.0003585200000000, 0.0007793200000000, -0.0003740400000000 ] - [ 0.0001585200000000, 0.0027161600000000, -0.0008786500000000 ] - [ -0.0002852100000000, -0.0009183100000000, -0.0003879300000000 ] - [ -0.0001188600000000, 0.0004858000000000, 0.0002521900000000 ] - [ -0.0002142700000000, 0.0004403900000000, 0.0004379700000000 ] - [ -0.0000431700000000, 0.0003168700000000, 0.0003520200000000 ] - [ 0.0000947500000000, -0.0004295300000000, -0.0000851000000000 ] - [ -0.0000179000000000, -0.0003748100000000, -0.0004400200000000 ] - [ -0.0058719400000000, -0.0041997900000000, -0.0069418300000000 ] - [ 0.0006112100000000, -0.0009271200000000, -0.0002575900000000 ] - [ -0.0046865600000000, -0.0004091700000000, -0.0011173100000000 ] - [ 0.0000084400000000, -0.0003527900000000, -0.0002299100000000 ] - [ -0.0004092100000000, -0.0009385700000000, 0.0009995500000000 ] - [ -0.0002047100000000, -0.0007585900000000, -0.0006641900000000 ] - [ 0.0008074000000000, 0.0008981300000000, -0.0033733500000000 ] - [ -0.0001507600000000, -0.0000269100000000, 0.0000151200000000 ] - [ 0.0187985000000000, 0.0025372900000000, 0.0038545100000000 ] - [ 0.0005414900000000, 0.0006903000000000, -0.0004115100000000 ] - [ 0.0000602300000000, 0.0002168600000000, 0.0007723200000000 ] - [ -0.0015452100000000, 0.0003493600000000, 0.0007082300000000 ] - [ -0.0001972800000000, -0.0005459200000000, -0.0000213700000000 ] - [ 0.0000604800000000, -0.0000660400000000, 0.0000621400000000 ] - [ 0.0000603400000000, 0.0002001600000000, -0.0011285400000000 ] - [ -0.0033960700000000, 0.0019469100000000, 0.0016748000000000 ] - [ -0.0037903200000000, -0.0009711100000000, 0.0000620000000000 ] - [ -0.0002016000000000, 0.0002287000000000, 0.0001561800000000 ] - [ 0.0006945900000000, -0.0002483600000000, 0.0000524100000000 ] - [ 0.0001440500000000, -0.0004847900000000, -0.0003670100000000 ] - [ -0.0007042400000000, 0.0018620900000000, -0.0003153300000000 ] - [ 0.0003505200000000, -0.0003615400000000, -0.0001319100000000 ] - [ -0.0029845000000000, 0.0040757800000000, -0.0020346300000000 ] - [ 0.0005993100000000, -0.0011530000000000, -0.0001217600000000 ] - [ -0.0014944000000000, 0.0009651900000000, 0.0006483000000000 ] - [ -0.0000258300000000, 0.0000362500000000, -0.0001596300000000 ] - [ 0.0000140000000000, 0.0001801400000000, 0.0001193600000000 ] - [ 0.0010388600000000, -0.0016045700000000, -0.0005468200000000 ] - [ -0.0001911400000000, -0.0001105000000000, -0.0003181600000000 ] - [ 0.0001957700000000, -0.0000710400000000, 0.0000121400000000 ] - [ -0.0003207200000000, -0.0000254700000000, -0.0010135500000000 ] - [ -0.0017083600000000, -0.0010700500000000, 0.0001763800000000 ] - [ -0.0001217700000000, 0.0003925300000000, 0.0002060900000000 ] - [ 0.0001287600000000, -0.0000079000000000, 0.0000710400000000 ] - [ 0.0003916200000000, 0.0003711000000000, -0.0005240300000000 ] - [ 0.0028130900000000, 0.0002518800000000, -0.0001256200000000 ] - [ 0.1106573700000000, -0.0124382200000000, 0.0828841000000000 ] - [ 0.0005652800000000, -0.0007380700000000, 0.0007394300000000 ] - [ 0.0001791400000000, -0.0000757200000000, -0.0003108100000000 ] - [ -0.0000489000000000, 0.0001070700000000, 0.0000108500000000 ] - [ -0.0001251300000000, -0.0002507200000000, -0.0000685100000000 ] - [ -0.0009477100000000, -0.0004892900000000, -0.0000781400000000 ] - [ -0.0012768100000000, -0.0004480900000000, 0.0000957900000000 ] - [ -0.0005816800000000, 0.0001981900000000, -0.0000073600000000 ] - [ -0.0012793500000000, 0.0019666300000000, 0.0011507100000000 ] - [ 0.0024181700000000, -0.0004791900000000, -0.0006041400000000 ] - [ -0.0003589700000000, -0.0000047400000000, 0.0001345400000000 ] - [ -0.0017918000000000, -0.0005870400000000, -0.0013467100000000 ] - [ 0.0006037000000000, -0.0000551500000000, 0.0002058100000000 ] - [ 0.0002825500000000, 0.0001029800000000, 0.0000330200000000 ] - [ -0.0004444700000000, 0.0003516700000000, -0.0001362500000000 ] - [ -0.0002533800000000, 0.0001254000000000, -0.0000467100000000 ] - [ -0.0002910200000000, 0.0007168300000000, -0.0007848400000000 ] - [ 0.0000589300000000, -0.0005205400000000, -0.0001240300000000 ] - [ -0.1777813200000000, -0.0155916000000000, -0.1299469800000000 ] - [ 0.0007553000000000, 0.0005233500000000, 0.0000363800000000 ] - [ -0.0002175700000000, 0.0003021500000000, 0.0004873300000000 ] - [ 0.0002021800000000, -0.0000167100000000, 0.0002305400000000 ] - [ 0.0007742500000000, 0.0009835800000000, -0.0006107200000000 ] - [ 0.0039272900000000, -0.0016087900000000, 0.0062284200000000 ] - [ 0.0005534000000000, 0.0005138800000000, -0.0000092200000000 ] - [ 0.0000878900000000, -0.0004912200000000, -0.0001637300000000 ] - [ -0.0007605500000000, -0.0004540900000000, 0.0016982500000000 ] - [ 0.0027302300000000, -0.0001956600000000, -0.0003862600000000 ] - [ 0.0002763000000000, -0.0004539600000000, -0.0014192500000000 ] - [ 0.0005473400000000, -0.0000672100000000, 0.0009130900000000 ] - [ 0.0002281800000000, 0.0001460900000000, 0.0002315400000000 ] - [ -0.0001392000000000, -0.0003617600000000, 0.0001862900000000 ] - [ 0.0000237100000000, -0.0004212800000000, -0.0001846800000000 ] - [ -0.0014298700000000, -0.0028374900000000, 0.0000557300000000 ] - [ -0.0001309500000000, -0.0001122200000000, 0.0005593500000000 ] - [ 0.0030407000000000, -0.0004472900000000, -0.0016502800000000 ] - [ 0.0044669800000000, -0.0017370600000000, -0.0006715500000000 ] - [ -0.0001340700000000, 0.0003238300000000, 0.0014392500000000 ] - [ 0.0000670100000000, -0.0007968000000000, 0.0001983100000000 ] - [ 0.0002845400000000, -0.0000307100000000, 0.0001672800000000 ] - [ 0.0000993500000000, 0.0004446200000000, -0.0003986300000000 ] - [ 0.0000061200000000, 0.0002676500000000, 0.0002975000000000 ] - [ 0.0003646400000000, -0.0005836000000000, 0.0003109800000000 ] - [ 0.0002601300000000, 0.0001842800000000, 0.0000886600000000 ] - [ 0.0498875400000000, 0.0241947300000000, 0.0432981300000000 ] - [ 0.0001373400000000, 0.0001598200000000, 0.0001687900000000 ] - [ -0.0007907900000000, -0.0007758200000000, 0.0001441200000000 ] - [ -0.0008864000000000, 0.0016457500000000, -0.0009929400000000 ] - [ 0.0001179700000000, 0.0002428500000000, 0.0000857600000000 ] - [ -0.0000902000000000, -0.0000309500000000, 0.0001108600000000 ] - [ 0.0002368000000000, 0.0002711000000000, -0.0001345600000000 ] - [ 0.0008645300000000, 0.0007273500000000, 0.0004235500000000 ] - [ -0.0002704400000000, -0.0005416900000000, 0.0000123500000000 ] - [ 0.0008541800000000, 0.0012277600000000, 0.0001227900000000 ] - [ -0.0007187000000000, 0.0002541600000000, -0.0003206200000000 ] - [ -0.0000978900000000, 0.0001632100000000, -0.0000700400000000 ] - [ 0.0048974400000000, 0.0026570800000000, -0.0065118600000000 ] - [ 0.0003854300000000, 0.0005141500000000, -0.0000375700000000 ] - [ -0.0002216300000000, 0.0011168500000000, -0.0000695900000000 ] - [ -0.0001205600000000, -0.0000041100000000, 0.0001295200000000 ] - [ -0.0000848000000000, -0.0000809400000000, -0.0000671600000000 ] - [ -0.0014613400000000, 0.0014545500000000, 0.0017947600000000 ] - [ -0.0004630000000000, 0.0001939100000000, -0.0000835300000000 ] - [ -0.0001588600000000, 0.0009554200000000, -0.0002035100000000 ] - [ 0.0003017900000000, -0.0000620700000000, 0.0000097500000000 ] - [ 0.0001853700000000, -0.0000798500000000, 0.0006409100000000 ] - [ 0.0002895400000000, 0.0005679800000000, -0.0002529500000000 ] - [ -0.0008311800000000, 0.0008037000000000, 0.0007785800000000 ] - [ 0.0000877900000000, -0.0013343200000000, 0.0003946400000000 ] - [ 0.0006166600000000, 0.0030606000000000, 0.0002326000000000 ] - [ -0.0006440000000000, 0.0001287600000000, -0.0003648000000000 ] - [ -0.0000619900000000, 0.0001027800000000, 0.0001101800000000 ] - [ 0.0003819600000000, 0.0006903500000000, 0.0002453100000000 ] - [ -0.0002012400000000, -0.0001992700000000, 0.0000154600000000 ] - [ 0.0005777600000000, 0.0008546300000000, -0.0007537900000000 ] - [ -0.0003714100000000, -0.0002449600000000, 0.0000808900000000 ] - [ -0.0001934100000000, -0.0001056300000000, 0.0000122900000000 ] - [ 0.0001063200000000, -0.0000323100000000, 0.0001306000000000 ] - [ 0.0001055400000000, -0.0001491700000000, -0.0001993600000000 ] - [ -0.0128540100000000, -0.0039317200000000, 0.0082348500000000 ] - [ 0.0002815100000000, -0.0000435500000000, 0.0000247700000000 ] - [ 0.0001836200000000, 0.0005780600000000, 0.0000195000000000 ] - [ -0.0000538100000000, -0.0001793400000000, 0.0005054100000000 ] - [ -0.0003925000000000, -0.0051729900000000, 0.0047962000000000 ] - [ 0.0001080500000000, 0.0000122800000000, 0.0001964400000000 ] - [ 0.0002859300000000, -0.0004242600000000, 0.0007784900000000 ] - [ 0.0001340300000000, -0.0002377300000000, -0.0005302700000000 ] - [ 0.0019825200000000, 0.0001434600000000, 0.0009542300000000 ] - [ 0.0000433300000000, 0.0000522700000000, -0.0003969200000000 ] - [ -0.0001185600000000, 0.0006789800000000, 0.0002006800000000 ] - [ -0.0007655400000000, 0.0001539900000000, 0.0000448000000000 ] - [ 0.0002644100000000, 0.0001149300000000, -0.0002452900000000 ] - [ -0.0001527500000000, 0.0001058700000000, 0.0000776200000000 ] - [ -0.0001294300000000, 0.0001914700000000, 0.0003455600000000 ] - [ -0.0000194100000000, -0.0000597700000000, 0.0008932800000000 ] - [ 0.0002055300000000, 0.0003882700000000, -0.0001023300000000 ] - [ 0.0008230200000000, -0.0006904000000000, 0.0000227900000000 ] - [ 0.0013839300000000, -0.0005580400000000, -0.0005026800000000 ] - [ 0.0019000000000000, -0.0013158100000000, 0.0004616600000000 ] - [ 0.0004442200000000, -0.0002794200000000, 0.0002740500000000 ] - [ 0.0006658000000000, -0.0013965800000000, 0.0011472700000000 ] - [ -0.0001570100000000, -0.0001062000000000, -0.0003750400000000 ] - [ -0.0010235600000000, 0.0000233600000000, 0.0001709500000000 ] - [ 0.0001128700000000, 0.0000073000000000, -0.0003223300000000 ]- atom: 91 displacement: [ -0.0099999639143206, 0.0000000000000000, 0.0000268647033593 ] forces: - [ 0.0001171400000000, 0.0001162000000000, 0.0000482700000000 ] - [ -0.0000646600000000, 0.0001083000000000, 0.0001414900000000 ] - [ 0.0003830800000000, -0.0000396900000000, 0.0005078600000000 ] - [ 0.0000114800000000, -0.0003064200000000, 0.0001957800000000 ] - [ 0.0008806500000000, -0.0001185400000000, -0.0004995900000000 ] - [ -0.0000731000000000, -0.0004691700000000, -0.0003673300000000 ] - [ -0.0004973900000000, -0.0004013800000000, -0.0002657700000000 ] - [ 0.0015844900000000, 0.0000520000000000, -0.0001444000000000 ] - [ 0.0003725100000000, 0.0000451300000000, -0.0001324000000000 ] - [ -0.0065612400000000, -0.0045475600000000, 0.0014419400000000 ] - [ 0.0000367600000000, 0.0002461700000000, 0.0001004000000000 ] - [ 0.0000797700000000, -0.0001281700000000, 0.0000071400000000 ] - [ 0.0004402700000000, -0.0001206700000000, 0.0001735200000000 ] - [ 0.0000286100000000, 0.0000634000000000, 0.0000051900000000 ] - [ -0.0000897500000000, -0.0000499400000000, 0.0001972600000000 ] - [ -0.0003290300000000, 0.0001448800000000, -0.0000212100000000 ] - [ 0.0029957500000000, -0.0024832500000000, -0.0010606300000000 ] - [ -0.0007619500000000, -0.0011499000000000, -0.0032488600000000 ] - [ -0.0004949100000000, 0.0002511300000000, -0.0000530100000000 ] - [ -0.0004389100000000, 0.0004892700000000, 0.0000008300000000 ] - [ 0.0004905700000000, 0.0001434600000000, -0.0001136900000000 ] - [ 0.0000421900000000, 0.0005406000000000, 0.0005098700000000 ] - [ -0.0010352900000000, -0.0000291700000000, 0.0000986500000000 ] - [ 0.0000768600000000, 0.0002204500000000, 0.0002457500000000 ] - [ 0.0004474800000000, 0.0000096300000000, 0.0004139500000000 ] - [ -0.0001808200000000, 0.0000472600000000, 0.0001481500000000 ] - [ 0.0014651300000000, -0.0007376000000000, 0.0007910800000000 ] - [ -0.0100456900000000, 0.0009521500000000, 0.0056684100000000 ] - [ 0.0002636200000000, -0.0003003400000000, 0.0000991600000000 ] - [ 0.0000150100000000, -0.0023917900000000, 0.0000351200000000 ] - [ 0.0001009800000000, 0.0012445100000000, 0.0012380400000000 ] - [ 0.0002333400000000, -0.0001201600000000, -0.0001878900000000 ] - [ -0.0001936200000000, 0.0005845100000000, 0.0002324500000000 ] - [ -0.0004559000000000, 0.0000115300000000, -0.0012490300000000 ] - [ -0.0002037500000000, 0.0000612800000000, 0.0000206300000000 ] - [ 0.0001960900000000, 0.0000491500000000, -0.0004034600000000 ] - [ 0.0062214400000000, 0.0043899400000000, 0.0068170800000000 ] - [ -0.0002053000000000, -0.0000996300000000, -0.0004118700000000 ] - [ 0.0046017700000000, -0.0000741400000000, 0.0008631700000000 ] - [ 0.0003436100000000, 0.0001655100000000, 0.0001141500000000 ] - [ 0.0003036200000000, 0.0013114200000000, -0.0010639300000000 ] - [ 0.0006986600000000, 0.0010830700000000, 0.0015501900000000 ] - [ -0.0006889500000000, -0.0012490000000000, 0.0034887100000000 ] - [ -0.0002016400000000, 0.0002134600000000, 0.0001012600000000 ] - [ -0.0190899000000000, -0.0024513400000000, -0.0037299900000000 ] - [ -0.0001326700000000, 0.0003412000000000, -0.0002650300000000 ] - [ 0.0000382700000000, 0.0002624300000000, -0.0005004100000000 ] - [ 0.0013705800000000, -0.0006677800000000, 0.0001162900000000 ] - [ -0.0001481800000000, 0.0000632200000000, -0.0000208800000000 ] - [ -0.0000051600000000, 0.0004312600000000, 0.0000950700000000 ] - [ 0.0003627200000000, -0.0001125700000000, 0.0004219100000000 ] - [ 0.0036991700000000, -0.0021039500000000, -0.0011336000000000 ] - [ 0.0042086900000000, 0.0016560200000000, -0.0002870400000000 ] - [ -0.0002050700000000, 0.0004564000000000, 0.0000628000000000 ] - [ -0.0003581200000000, -0.0002310100000000, -0.0000102500000000 ] - [ 0.0001374600000000, -0.0002741300000000, -0.0000955600000000 ] - [ 0.0007400300000000, -0.0012572000000000, 0.0001021600000000 ] - [ 0.0000555700000000, -0.0003255100000000, -0.0000865400000000 ] - [ 0.0029109500000000, -0.0037379500000000, 0.0018933400000000 ] - [ -0.0006244800000000, 0.0005627100000000, 0.0003352000000000 ] - [ 0.0011955100000000, -0.0008099500000000, -0.0011873400000000 ] - [ 0.0003165100000000, 0.0001166000000000, 0.0007050400000000 ] - [ -0.0000384600000000, 0.0004158500000000, 0.0000931700000000 ] - [ -0.0014434900000000, 0.0009230800000000, 0.0007665300000000 ] - [ -0.0001009400000000, -0.0000429900000000, -0.0002268600000000 ] - [ 0.0000622800000000, -0.0001917900000000, -0.0001504900000000 ] - [ 0.0000610200000000, 0.0002945000000000, 0.0011566800000000 ] - [ 0.0019947300000000, 0.0018301000000000, -0.0006347700000000 ] - [ -0.0001595800000000, 0.0003650300000000, 0.0002554600000000 ] - [ 0.0001295600000000, 0.0002707000000000, -0.0002067000000000 ] - [ -0.0008157700000000, -0.0004516100000000, 0.0012113300000000 ] - [ -0.0024674500000000, 0.0002227500000000, 0.0001673200000000 ] - [ -0.1090249800000000, 0.0108110000000000, -0.0776976500000000 ] - [ -0.0009973000000000, 0.0008335500000000, -0.0000376800000000 ] - [ 0.0002447700000000, -0.0000118400000000, -0.0003937700000000 ] - [ -0.0002089100000000, -0.0003698600000000, 0.0001243600000000 ] - [ 0.0000693500000000, -0.0001133000000000, -0.0000890600000000 ] - [ 0.0009752100000000, -0.0001052200000000, -0.0001342300000000 ] - [ 0.0013290400000000, 0.0000787500000000, 0.0000613900000000 ] - [ 0.0002361000000000, 0.0002833600000000, -0.0000347900000000 ] - [ 0.0018579600000000, -0.0011834800000000, -0.0011018400000000 ] - [ -0.0025655100000000, 0.0004626600000000, 0.0014728800000000 ] - [ -0.0002221500000000, -0.0002163700000000, 0.0003161400000000 ] - [ 0.0014698700000000, 0.0013234100000000, 0.0011014400000000 ] - [ -0.0005154600000000, 0.0000241500000000, 0.0004564300000000 ] - [ 0.0001678100000000, -0.0000309500000000, 0.0001344800000000 ] - [ 0.0008816600000000, -0.0004190200000000, -0.0001010200000000 ] - [ -0.0002736900000000, -0.0000488400000000, -0.0001577700000000 ] - [ -0.0000808300000000, -0.0008112200000000, 0.0011414500000000 ] - [ 0.0005169600000000, -0.0002516800000000, 0.0001829000000000 ] - [ 0.1757439100000000, 0.0159347600000000, 0.1247947400000000 ] - [ -0.0009854100000000, 0.0005323700000000, 0.0003138100000000 ] - [ -0.0002652700000000, 0.0001943300000000, 0.0003564400000000 ] - [ 0.0003809200000000, -0.0000138900000000, 0.0003782700000000 ] - [ -0.0009402600000000, -0.0021861400000000, 0.0009489300000000 ] - [ -0.0037153700000000, 0.0005205200000000, -0.0066690600000000 ] - [ -0.0002365700000000, 0.0002160900000000, 0.0002530300000000 ] - [ 0.0000612200000000, -0.0007100000000000, -0.0001681500000000 ] - [ 0.0003776000000000, 0.0005331100000000, -0.0013065300000000 ] - [ -0.0031623500000000, 0.0010841400000000, 0.0003443000000000 ] - [ -0.0001396600000000, 0.0004717900000000, 0.0005415900000000 ] - [ -0.0011330100000000, 0.0000966400000000, -0.0015279000000000 ] - [ 0.0003547100000000, -0.0001161900000000, 0.0003742700000000 ] - [ -0.0000921900000000, -0.0007266100000000, 0.0001795600000000 ] - [ 0.0002028800000000, -0.0006356800000000, -0.0001674200000000 ] - [ 0.0011614600000000, 0.0029668000000000, 0.0001513800000000 ] - [ -0.0003173300000000, 0.0001813400000000, -0.0007160300000000 ] - [ -0.0025708800000000, 0.0009426400000000, 0.0008205000000000 ] - [ -0.0041777800000000, 0.0016021600000000, 0.0004589900000000 ] - [ -0.0001921000000000, 0.0002299800000000, -0.0008585700000000 ] - [ -0.0003935400000000, 0.0002415000000000, 0.0003952600000000 ] - [ 0.0002408600000000, -0.0000440400000000, 0.0000365300000000 ] - [ 0.0002243600000000, 0.0001108500000000, -0.0001959100000000 ] - [ 0.0000840100000000, -0.0002359600000000, 0.0003645800000000 ] - [ -0.0008435400000000, 0.0000878100000000, 0.0005317000000000 ] - [ 0.0000310800000000, -0.0000480100000000, -0.0003041600000000 ] - [ -0.0485301100000000, -0.0236281200000000, -0.0421928100000000 ] - [ 0.0001707600000000, -0.0000972200000000, 0.0001659300000000 ] - [ 0.0004823400000000, 0.0000483300000000, -0.0003933300000000 ] - [ 0.0011970500000000, -0.0017163700000000, 0.0013305800000000 ] - [ -0.0006888900000000, 0.0005281800000000, -0.0001415600000000 ] - [ -0.0002145400000000, -0.0001732600000000, 0.0002260000000000 ] - [ -0.0005470100000000, -0.0003346800000000, -0.0002009100000000 ] - [ -0.0006814200000000, -0.0004065600000000, -0.0003030300000000 ] - [ -0.0001524200000000, -0.0003422500000000, -0.0000551900000000 ] - [ -0.0011230000000000, -0.0013554200000000, -0.0004324300000000 ] - [ 0.0006274600000000, -0.0002808700000000, -0.0003422700000000 ] - [ -0.0001680000000000, -0.0000274800000000, -0.0002335700000000 ] - [ -0.0039247400000000, -0.0024727700000000, 0.0065843700000000 ] - [ 0.0005266200000000, 0.0000317600000000, -0.0000867400000000 ] - [ -0.0002277400000000, -0.0012000800000000, -0.0001015000000000 ] - [ -0.0001697900000000, -0.0001312900000000, 0.0000844300000000 ] - [ -0.0001007400000000, -0.0002423600000000, -0.0000570500000000 ] - [ 0.0016049500000000, -0.0002665900000000, -0.0021217000000000 ] - [ -0.0004989700000000, -0.0000310300000000, -0.0000468200000000 ] - [ 0.0003849400000000, 0.0000993800000000, -0.0001490200000000 ] - [ 0.0006607000000000, -0.0000994100000000, 0.0001200400000000 ] - [ 0.0001887500000000, -0.0000067500000000, -0.0009862100000000 ] - [ -0.0000591600000000, 0.0005188400000000, -0.0001120100000000 ] - [ -0.0001371400000000, -0.0009655900000000, -0.0009058000000000 ] - [ -0.0003285000000000, 0.0002789100000000, -0.0000493600000000 ] - [ -0.0011535900000000, -0.0031348100000000, -0.0004571400000000 ] - [ 0.0005608700000000, -0.0001025600000000, -0.0002981600000000 ] - [ -0.0005201200000000, 0.0001178100000000, 0.0003413100000000 ] - [ -0.0006124900000000, 0.0004003500000000, 0.0001208000000000 ] - [ 0.0006264300000000, 0.0002592900000000, -0.0002463400000000 ] - [ -0.0008115300000000, -0.0010193200000000, 0.0011918200000000 ] - [ -0.0005407900000000, -0.0003007100000000, 0.0000429600000000 ] - [ -0.0003779000000000, -0.0006645300000000, -0.0000680300000000 ] - [ 0.0001597500000000, -0.0001026700000000, 0.0001741900000000 ] - [ 0.0001266700000000, -0.0000152700000000, -0.0002437600000000 ] - [ 0.0129371500000000, 0.0042122700000000, -0.0089502600000000 ] - [ 0.0002022600000000, -0.0004516800000000, -0.0008698500000000 ] - [ 0.0002380300000000, 0.0003073700000000, 0.0000225800000000 ] - [ -0.0003770200000000, 0.0001140200000000, -0.0002684500000000 ] - [ 0.0001247400000000, 0.0053899300000000, -0.0044763400000000 ] - [ 0.0002092200000000, -0.0007410900000000, 0.0000470800000000 ] - [ 0.0001652100000000, 0.0003525700000000, -0.0006094200000000 ] - [ 0.0001893400000000, -0.0003175600000000, -0.0000624200000000 ] - [ -0.0016682100000000, -0.0003467500000000, -0.0012812400000000 ] - [ 0.0000918000000000, -0.0000695300000000, -0.0004770900000000 ] - [ -0.0000310500000000, 0.0005240800000000, 0.0001305800000000 ] - [ 0.0005825000000000, 0.0001679300000000, -0.0001694300000000 ] - [ 0.0001095400000000, -0.0000280500000000, -0.0001033000000000 ] - [ -0.0002785200000000, -0.0000403000000000, 0.0001591600000000 ] - [ -0.0001036900000000, -0.0000261000000000, 0.0000971300000000 ] - [ -0.0001162400000000, 0.0000778700000000, -0.0000199000000000 ] - [ 0.0000986900000000, -0.0001847700000000, -0.0002352600000000 ] - [ -0.0006450800000000, 0.0003633000000000, 0.0001043600000000 ] - [ -0.0004697600000000, 0.0000123200000000, 0.0003828300000000 ] - [ -0.0028072700000000, 0.0018677100000000, -0.0003424200000000 ] - [ 0.0001364700000000, 0.0000561300000000, -0.0007264300000000 ] - [ -0.0009809800000000, 0.0014471800000000, -0.0014775700000000 ] - [ -0.0004277500000000, 0.0000762000000000, -0.0002295900000000 ] - [ 0.0014443100000000, -0.0009088300000000, -0.0001266900000000 ] - [ 0.0004671500000000, 0.0002135400000000, -0.0001287800000000 ]- atom: 91 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000152300000000, -0.0007647600000000, 0.0000329000000000 ] - [ -0.0000472200000000, 0.0000825100000000, 0.0000740200000000 ] - [ 0.0002614000000000, 0.0005653000000000, -0.0000602500000000 ] - [ 0.0000225900000000, -0.0005661800000000, 0.0003095900000000 ] - [ -0.0006490500000000, -0.0003229300000000, 0.0001260500000000 ] - [ 0.0003384600000000, 0.0005835600000000, -0.0000697700000000 ] - [ 0.0002247600000000, -0.0014719600000000, 0.0006733800000000 ] - [ 0.0003974000000000, 0.0005634300000000, 0.0000918800000000 ] - [ 0.0001032600000000, -0.0005317000000000, -0.0002995900000000 ] - [ 0.0042249600000000, 0.0072086200000000, -0.0016199800000000 ] - [ 0.0001081600000000, -0.0004391900000000, 0.0000303800000000 ] - [ -0.0000098500000000, -0.0006962500000000, 0.0001876700000000 ] - [ 0.0004542300000000, -0.0005239600000000, 0.0000927000000000 ] - [ 0.0000888300000000, -0.0003385100000000, 0.0000855300000000 ] - [ -0.0000066900000000, -0.0001571500000000, -0.0002165000000000 ] - [ -0.0003555500000000, -0.0005525400000000, 0.0001588600000000 ] - [ 0.0019031000000000, 0.0010388900000000, 0.0002040000000000 ] - [ 0.0003598600000000, 0.0016934600000000, -0.0024713500000000 ] - [ -0.0003848700000000, -0.0003529400000000, -0.0002992400000000 ] - [ -0.0000300700000000, -0.0005710100000000, -0.0007464300000000 ] - [ 0.0002014300000000, -0.0004513200000000, -0.0000633400000000 ] - [ -0.0004275600000000, 0.0005952400000000, -0.0003417500000000 ] - [ -0.0006022700000000, 0.0006665700000000, 0.0011429400000000 ] - [ 0.0001196300000000, -0.0000151500000000, 0.0001093100000000 ] - [ 0.0002259700000000, -0.0017789600000000, 0.0005927100000000 ] - [ 0.0001975300000000, -0.0025024700000000, 0.0002910000000000 ] - [ -0.0001266500000000, 0.0006224100000000, 0.0015212100000000 ] - [ 0.0000468300000000, 0.0147519600000000, 0.0027676200000000 ] - [ 0.0002899300000000, -0.0002344400000000, -0.0000906000000000 ] - [ 0.0019243300000000, -0.0016442200000000, 0.0020317600000000 ] - [ -0.0015723700000000, -0.0018950900000000, -0.0005842100000000 ] - [ 0.0020273000000000, -0.0011616400000000, -0.0005563300000000 ] - [ -0.0000271100000000, -0.0007776900000000, 0.0004669800000000 ] - [ -0.0007387000000000, -0.0005403500000000, 0.0004598500000000 ] - [ -0.0000689200000000, -0.0012984100000000, -0.0002698100000000 ] - [ 0.0000782000000000, -0.0012662100000000, -0.0005063900000000 ] - [ -0.0011643700000000, 0.0010698200000000, -0.0037214600000000 ] - [ 0.0004714800000000, -0.0029036200000000, -0.0000964500000000 ] - [ -0.0008137500000000, 0.0021554000000000, -0.0002998200000000 ] - [ 0.0001247900000000, -0.0012347300000000, -0.0001084000000000 ] - [ -0.0015655100000000, -0.0015539500000000, 0.0014106600000000 ] - [ 0.0002520700000000, -0.0002603100000000, -0.0003342700000000 ] - [ 0.0016997900000000, 0.0019695400000000, 0.0052847300000000 ] - [ -0.0003056900000000, -0.0010623400000000, 0.0000963100000000 ] - [ 0.0002212600000000, 0.0108244200000000, 0.0022955000000000 ] - [ 0.0003650400000000, 0.0024537900000000, -0.0003781900000000 ] - [ 0.0001805200000000, -0.0000150800000000, -0.0014531300000000 ] - [ -0.0002136900000000, 0.0015277200000000, -0.0003213300000000 ] - [ -0.0000616700000000, -0.0010617900000000, 0.0000112500000000 ] - [ -0.0000158700000000, -0.0010187400000000, 0.0000694100000000 ] - [ 0.0008740400000000, 0.0002003300000000, 0.0004390400000000 ] - [ -0.0012172200000000, 0.0011054800000000, 0.0006458600000000 ] - [ -0.0004210300000000, 0.0033538800000000, 0.0012227300000000 ] - [ -0.0001537600000000, -0.0006620300000000, 0.0004419700000000 ] - [ -0.0005262900000000, 0.0006860100000000, 0.0003877700000000 ] - [ 0.0004415300000000, -0.0008449600000000, -0.0004015300000000 ] - [ 0.0008014400000000, 0.0016170700000000, -0.0001371600000000 ] - [ 0.0002955500000000, -0.0011573500000000, 0.0001684100000000 ] - [ 0.0044711500000000, 0.0058160900000000, 0.0009323100000000 ] - [ 0.0001263800000000, -0.0038070400000000, -0.0001509900000000 ] - [ 0.0041234800000000, -0.0025124100000000, -0.0029138100000000 ] - [ -0.0003825200000000, -0.0001800400000000, -0.0000374500000000 ] - [ -0.0000051300000000, -0.0004986100000000, 0.0000786000000000 ] - [ -0.0001300700000000, 0.0007499300000000, 0.0001462700000000 ] - [ -0.0004527900000000, -0.0003938900000000, 0.0000311500000000 ] - [ -0.0000259500000000, 0.0002949500000000, 0.0004018800000000 ] - [ -0.0005740900000000, 0.0015278500000000, 0.0009530800000000 ] - [ -0.0025229100000000, -0.0013877100000000, -0.0004651000000000 ] - [ 0.0001073000000000, -0.0000978000000000, -0.0000975000000000 ] - [ -0.0002826100000000, -0.0008128700000000, 0.0000581300000000 ] - [ 0.0008273600000000, 0.0018361700000000, -0.0018204700000000 ] - [ 0.0020774700000000, -0.0034039500000000, -0.0001963400000000 ] - [ -0.0097696700000000, 0.0584469100000000, -0.0168519600000000 ] - [ 0.0001017900000000, -0.0007585900000000, 0.0004534200000000 ] - [ 0.0006329300000000, -0.0005139100000000, -0.0006398700000000 ] - [ -0.0001698600000000, -0.0007146100000000, 0.0004244100000000 ] - [ -0.0000673800000000, -0.0008462500000000, -0.0000655700000000 ] - [ -0.0004040600000000, -0.0002784400000000, -0.0001012000000000 ] - [ 0.0000279700000000, 0.0003066900000000, 0.0000310600000000 ] - [ 0.0000191300000000, -0.0001794800000000, 0.0000263700000000 ] - [ 0.0003934400000000, 0.0041940900000000, 0.0026588100000000 ] - [ 0.0005322500000000, -0.0012780700000000, 0.0002712600000000 ] - [ -0.0000563100000000, 0.0007836200000000, 0.0001488000000000 ] - [ -0.0024412200000000, 0.0028096600000000, 0.0019971300000000 ] - [ 0.0003619600000000, 0.0000777600000000, -0.0001393200000000 ] - [ 0.0001667600000000, 0.0004974200000000, 0.0002091600000000 ] - [ -0.0001273900000000, 0.0009895100000000, -0.0000327000000000 ] - [ -0.0004474000000000, 0.0006041100000000, -0.0001270900000000 ] - [ 0.0000753500000000, 0.0008728300000000, -0.0005027900000000 ] - [ 0.0006939600000000, -0.0007904600000000, 0.0000443700000000 ] - [ -0.0154354800000000, -0.0857169400000000, 0.0327391400000000 ] - [ -0.0003184000000000, -0.0001385500000000, 0.0001314900000000 ] - [ -0.0001739500000000, 0.0005920700000000, 0.0003606800000000 ] - [ 0.0002778700000000, -0.0003905800000000, 0.0001657200000000 ] - [ 0.0033994700000000, -0.0017871800000000, -0.0026627700000000 ] - [ 0.0017130800000000, -0.0053597000000000, 0.0001170000000000 ] - [ 0.0003666300000000, 0.0012548100000000, 0.0000141100000000 ] - [ -0.0000476000000000, 0.0005571700000000, -0.0001573700000000 ] - [ -0.0014396900000000, -0.0019662200000000, 0.0072242600000000 ] - [ 0.0012783100000000, -0.0012301600000000, -0.0006571800000000 ] - [ -0.0008706400000000, 0.0009910400000000, 0.0023698900000000 ] - [ -0.0001487400000000, -0.0009265100000000, -0.0009623100000000 ] - [ 0.0004215200000000, 0.0009516300000000, 0.0004089400000000 ] - [ -0.0001829600000000, 0.0005093800000000, 0.0001408800000000 ] - [ 0.0001443800000000, 0.0001095700000000, 0.0000371400000000 ] - [ -0.0051378400000000, 0.0067194900000000, 0.0017421800000000 ] - [ -0.0000060300000000, -0.0006350700000000, 0.0012374200000000 ] - [ 0.0011185900000000, -0.0012883400000000, -0.0005584000000000 ] - [ 0.0020010300000000, -0.0012808800000000, -0.0000069000000000 ] - [ -0.0003400300000000, -0.0003024600000000, -0.0015855800000000 ] - [ -0.0004390700000000, 0.0000738600000000, -0.0000148000000000 ] - [ 0.0000934500000000, 0.0004677500000000, 0.0001464200000000 ] - [ 0.0003160100000000, 0.0011158800000000, -0.0003831800000000 ] - [ -0.0000305700000000, 0.0008932200000000, 0.0001928100000000 ] - [ -0.0022546300000000, 0.0008013300000000, -0.0000011600000000 ] - [ 0.0005530000000000, 0.0005232800000000, -0.0000052300000000 ] - [ 0.0238132600000000, -0.0131461500000000, 0.0145432000000000 ] - [ 0.0002213600000000, 0.0008603800000000, 0.0002349300000000 ] - [ 0.0006661000000000, -0.0004121300000000, -0.0009985200000000 ] - [ -0.0003677700000000, 0.0050126400000000, -0.0028537000000000 ] - [ -0.0005756600000000, 0.0011897700000000, -0.0002892400000000 ] - [ -0.0001320900000000, 0.0004903700000000, 0.0000710700000000 ] - [ -0.0001486700000000, 0.0001585200000000, -0.0000141800000000 ] - [ 0.0007284800000000, -0.0002362400000000, 0.0002917500000000 ] - [ -0.0002093700000000, 0.0000943900000000, -0.0001617100000000 ] - [ 0.0011826700000000, 0.0003379900000000, 0.0012009900000000 ] - [ -0.0010315200000000, 0.0025586200000000, -0.0007377000000000 ] - [ -0.0002111800000000, 0.0006391600000000, -0.0002022700000000 ] - [ 0.0003710300000000, -0.0045845500000000, -0.0026524500000000 ] - [ 0.0006648800000000, 0.0013309700000000, 0.0000722100000000 ] - [ 0.0000648900000000, 0.0009746500000000, -0.0000221700000000 ] - [ 0.0001973800000000, 0.0004676100000000, -0.0000237300000000 ] - [ -0.0001535800000000, 0.0004488700000000, 0.0000125500000000 ] - [ -0.0002802400000000, -0.0020273700000000, 0.0004193300000000 ] - [ -0.0007861000000000, 0.0008512100000000, -0.0001994300000000 ] - [ 0.0005724000000000, 0.0025222400000000, -0.0003250700000000 ] - [ 0.0002678200000000, 0.0005641300000000, -0.0002308800000000 ] - [ 0.0001035500000000, 0.0000472800000000, -0.0005464300000000 ] - [ 0.0002331900000000, 0.0010296100000000, -0.0002586000000000 ] - [ -0.0009539400000000, -0.0005328700000000, 0.0003864400000000 ] - [ -0.0013341500000000, -0.0006063600000000, -0.0003970800000000 ] - [ 0.0034104300000000, 0.0018252100000000, 0.0039498400000000 ] - [ 0.0006003600000000, -0.0013331400000000, -0.0007485600000000 ] - [ -0.0001754600000000, -0.0003719100000000, -0.0002668100000000 ] - [ -0.0001459300000000, 0.0002479000000000, 0.0003983000000000 ] - [ -0.0008905200000000, -0.0014417100000000, 0.0004826900000000 ] - [ 0.0006191400000000, 0.0009488000000000, -0.0001693500000000 ] - [ -0.0004426800000000, 0.0002554800000000, 0.0000798400000000 ] - [ -0.0002461600000000, 0.0001573800000000, 0.0000772900000000 ] - [ 0.0000784800000000, 0.0003752900000000, 0.0001442100000000 ] - [ -0.0001811700000000, 0.0002293900000000, 0.0004115600000000 ] - [ -0.0082706300000000, 0.0000336100000000, -0.0361479200000000 ] - [ 0.0005901900000000, 0.0002109600000000, 0.0002806700000000 ] - [ 0.0003913100000000, 0.0013029000000000, 0.0000909400000000 ] - [ -0.0006232500000000, -0.0004192000000000, -0.0001329900000000 ] - [ -0.0051331700000000, 0.0003083200000000, -0.0071747800000000 ] - [ 0.0001412900000000, 0.0002836700000000, 0.0002606300000000 ] - [ -0.0001082800000000, 0.0002014400000000, -0.0011303900000000 ] - [ 0.0004030500000000, -0.0002817600000000, -0.0010659300000000 ] - [ 0.0003818000000000, -0.0008048400000000, 0.0002021900000000 ] - [ 0.0001149100000000, 0.0004762400000000, -0.0007670600000000 ] - [ -0.0000827800000000, 0.0014786200000000, 0.0000943200000000 ] - [ -0.0005423900000000, 0.0019968900000000, -0.0002274900000000 ] - [ 0.0000921400000000, 0.0006203200000000, -0.0000107700000000 ] - [ -0.0006440200000000, 0.0007167200000000, 0.0003075000000000 ] - [ -0.0002055000000000, 0.0005107500000000, 0.0003837300000000 ] - [ 0.0000185900000000, 0.0001492500000000, 0.0006506800000000 ] - [ 0.0001391200000000, 0.0010989600000000, -0.0001618200000000 ] - [ -0.0002146700000000, -0.0006985500000000, 0.0001406800000000 ] - [ 0.0004073600000000, -0.0009241700000000, 0.0003915500000000 ] - [ -0.0019357900000000, -0.0012914900000000, -0.0002611700000000 ] - [ 0.0005053700000000, -0.0010745700000000, -0.0005375300000000 ] - [ -0.0007017500000000, -0.0015862900000000, 0.0004830100000000 ] - [ -0.0003121000000000, 0.0003914100000000, -0.0005379700000000 ] - [ 0.0003119800000000, -0.0009293400000000, 0.0004089800000000 ] - [ 0.0001757800000000, 0.0007079500000000, -0.0004513300000000 ]- atom: 91 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001746100000000, 0.0005421600000000, 0.0001479300000000 ] - [ -0.0000854500000000, 0.0003551700000000, -0.0001260800000000 ] - [ 0.0003529800000000, -0.0005725900000000, -0.0000818000000000 ] - [ 0.0000706200000000, -0.0000985200000000, -0.0000289000000000 ] - [ 0.0005582100000000, -0.0003435100000000, -0.0004073100000000 ] - [ -0.0005311500000000, -0.0008056900000000, -0.0001109300000000 ] - [ -0.0004174000000000, 0.0016762500000000, -0.0008601600000000 ] - [ 0.0004697400000000, -0.0002153900000000, 0.0001211500000000 ] - [ -0.0000433800000000, 0.0004211600000000, 0.0001798000000000 ] - [ -0.0045538900000000, -0.0072880000000000, 0.0017990400000000 ] - [ -0.0000140200000000, 0.0010991900000000, 0.0002458800000000 ] - [ 0.0001416000000000, 0.0002526100000000, -0.0001300200000000 ] - [ 0.0004110600000000, 0.0001800300000000, 0.0001253700000000 ] - [ -0.0000306400000000, 0.0004471900000000, -0.0002004900000000 ] - [ -0.0000509200000000, 0.0000457900000000, 0.0003366700000000 ] - [ -0.0002578900000000, 0.0005396400000000, -0.0000130900000000 ] - [ -0.0020232400000000, -0.0014995000000000, -0.0002756300000000 ] - [ -0.0012390000000000, -0.0020026900000000, 0.0022605300000000 ] - [ -0.0004805900000000, 0.0006944600000000, 0.0000837200000000 ] - [ 0.0001595600000000, 0.0010103200000000, 0.0007945700000000 ] - [ 0.0004126500000000, 0.0004599200000000, -0.0000849300000000 ] - [ 0.0003366000000000, 0.0000677300000000, 0.0000667200000000 ] - [ -0.0000134900000000, -0.0006518500000000, -0.0009886000000000 ] - [ 0.0000711000000000, 0.0002369500000000, 0.0000749700000000 ] - [ 0.0002821700000000, 0.0014469800000000, 0.0003104700000000 ] - [ -0.0001098500000000, 0.0020116200000000, -0.0000093600000000 ] - [ -0.0002651300000000, -0.0016381900000000, -0.0008449400000000 ] - [ -0.0005579000000000, -0.0150476600000000, -0.0038848800000000 ] - [ -0.0003709200000000, 0.0006991600000000, -0.0001854000000000 ] - [ -0.0017251600000000, 0.0019585300000000, -0.0028648800000000 ] - [ 0.0014000800000000, 0.0022169700000000, 0.0014411000000000 ] - [ -0.0019252700000000, 0.0015345900000000, 0.0006302300000000 ] - [ -0.0003652500000000, 0.0017966600000000, 0.0001973300000000 ] - [ 0.0002251100000000, 0.0008539500000000, -0.0013608100000000 ] - [ -0.0000448500000000, 0.0009242900000000, 0.0001930100000000 ] - [ 0.0001027900000000, 0.0009436200000000, -0.0003487900000000 ] - [ 0.0015858600000000, -0.0008165800000000, 0.0036631500000000 ] - [ -0.0000796600000000, 0.0018757700000000, -0.0005779600000000 ] - [ 0.0007235300000000, -0.0026334400000000, 0.0000159300000000 ] - [ 0.0002487900000000, 0.0010446300000000, 0.0000076000000000 ] - [ 0.0014334700000000, 0.0019122800000000, -0.0014774300000000 ] - [ 0.0002577900000000, 0.0005954000000000, 0.0012387500000000 ] - [ -0.0015805300000000, -0.0023301400000000, -0.0051198500000000 ] - [ -0.0000695600000000, 0.0012429300000000, 0.0000107500000000 ] - [ -0.0000595800000000, -0.0097655100000000, -0.0024333500000000 ] - [ 0.0000231900000000, -0.0014164100000000, -0.0002791500000000 ] - [ -0.0000933100000000, 0.0004999400000000, 0.0017210900000000 ] - [ 0.0000380200000000, -0.0018426100000000, 0.0011857100000000 ] - [ -0.0002710300000000, 0.0005818400000000, -0.0000583400000000 ] - [ 0.0000795500000000, 0.0013935900000000, 0.0000928200000000 ] - [ -0.0004315300000000, -0.0001203600000000, -0.0011287000000000 ] - [ 0.0015175100000000, -0.0012560900000000, -0.0001131700000000 ] - [ 0.0008483100000000, -0.0026303900000000, -0.0014331400000000 ] - [ -0.0002603400000000, 0.0013342400000000, -0.0002135900000000 ] - [ 0.0008494300000000, -0.0011645200000000, -0.0003371100000000 ] - [ -0.0001507400000000, 0.0000754400000000, -0.0000559700000000 ] - [ -0.0007607400000000, -0.0010210600000000, -0.0000753200000000 ] - [ 0.0001171700000000, 0.0004762000000000, -0.0003941200000000 ] - [ -0.0045125600000000, -0.0054065900000000, -0.0010957000000000 ] - [ -0.0001532900000000, 0.0031696000000000, 0.0003612300000000 ] - [ -0.0043751300000000, 0.0026347400000000, 0.0023412400000000 ] - [ 0.0006761600000000, 0.0003228000000000, 0.0005900400000000 ] - [ -0.0000228200000000, 0.0010998700000000, 0.0001357300000000 ] - [ -0.0002891600000000, -0.0014000100000000, 0.0000887300000000 ] - [ 0.0001595500000000, 0.0002482000000000, -0.0005723200000000 ] - [ 0.0002800900000000, -0.0005494200000000, -0.0005333300000000 ] - [ 0.0003157200000000, -0.0012590600000000, -0.0008051800000000 ] - [ 0.0027989800000000, 0.0021526300000000, -0.0000049000000000 ] - [ -0.0003958800000000, 0.0008669700000000, 0.0005608300000000 ] - [ 0.0005364500000000, 0.0010698400000000, -0.0001991500000000 ] - [ -0.0012595700000000, -0.0019152500000000, 0.0025274800000000 ] - [ -0.0017542700000000, 0.0039021900000000, 0.0002445700000000 ] - [ 0.0091394900000000, -0.0587921400000000, 0.0168745900000000 ] - [ -0.0005368000000000, 0.0008347200000000, 0.0002348200000000 ] - [ -0.0001948200000000, 0.0004322300000000, -0.0000632200000000 ] - [ -0.0000884100000000, 0.0004505300000000, -0.0002910800000000 ] - [ 0.0000049600000000, 0.0004618900000000, -0.0000966800000000 ] - [ 0.0004327900000000, -0.0003276400000000, -0.0001132500000000 ] - [ 0.0000416100000000, -0.0006749800000000, 0.0001299700000000 ] - [ -0.0003506900000000, 0.0006586600000000, -0.0000731100000000 ] - [ 0.0001143100000000, -0.0034357100000000, -0.0026224300000000 ] - [ -0.0006683100000000, 0.0012620400000000, 0.0005950100000000 ] - [ -0.0005098500000000, -0.0009763300000000, 0.0003164200000000 ] - [ 0.0021658800000000, -0.0020716200000000, -0.0022574200000000 ] - [ -0.0002802500000000, -0.0001600100000000, 0.0007987400000000 ] - [ 0.0002991500000000, -0.0004223700000000, -0.0000178300000000 ] - [ 0.0005811800000000, -0.0010708800000000, -0.0002062800000000 ] - [ -0.0000972100000000, -0.0005210700000000, -0.0000799700000000 ] - [ -0.0004555900000000, -0.0009479400000000, 0.0008871100000000 ] - [ -0.0001715200000000, 0.0000046300000000, 0.0000138300000000 ] - [ 0.0159573300000000, 0.0844154100000000, -0.0315612200000000 ] - [ 0.0000667500000000, 0.0012142900000000, 0.0002212300000000 ] - [ -0.0003059800000000, -0.0000861800000000, 0.0004774500000000 ] - [ 0.0003003500000000, 0.0003568600000000, 0.0004212700000000 ] - [ -0.0034964500000000, 0.0005692300000000, 0.0029701200000000 ] - [ -0.0014810300000000, 0.0042321100000000, -0.0004586600000000 ] - [ -0.0000739300000000, -0.0004948000000000, 0.0002300700000000 ] - [ 0.0001996900000000, -0.0017465800000000, -0.0001801800000000 ] - [ 0.0010592500000000, 0.0020434200000000, -0.0068588900000000 ] - [ -0.0016807200000000, 0.0020910100000000, 0.0006001100000000 ] - [ 0.0009947200000000, -0.0009672600000000, -0.0031964000000000 ] - [ -0.0004295300000000, 0.0009517300000000, 0.0003643800000000 ] - [ 0.0001574100000000, -0.0009188100000000, 0.0001853800000000 ] - [ -0.0000444000000000, -0.0016119700000000, 0.0002251300000000 ] - [ 0.0001061600000000, -0.0011808600000000, -0.0003868600000000 ] - [ 0.0048103300000000, -0.0065266300000000, -0.0015150400000000 ] - [ -0.0004621300000000, 0.0007075700000000, -0.0014345800000000 ] - [ -0.0006391300000000, 0.0017972600000000, -0.0002813300000000 ] - [ -0.0017554200000000, 0.0011677700000000, -0.0001949700000000 ] - [ 0.0000118800000000, 0.0008507600000000, 0.0021613600000000 ] - [ 0.0001119700000000, -0.0006224300000000, 0.0006115000000000 ] - [ 0.0004523700000000, -0.0005486800000000, 0.0000560700000000 ] - [ 0.0000123000000000, -0.0005624100000000, -0.0002057600000000 ] - [ 0.0001098300000000, -0.0008108300000000, 0.0004702600000000 ] - [ 0.0017551900000000, -0.0012992000000000, 0.0008393800000000 ] - [ -0.0002883500000000, -0.0004087000000000, -0.0002022600000000 ] - [ -0.0234729500000000, 0.0129178400000000, -0.0145015100000000 ] - [ 0.0000955600000000, -0.0007566000000000, 0.0000983300000000 ] - [ -0.0009482400000000, -0.0003368200000000, 0.0007438200000000 ] - [ 0.0006726200000000, -0.0050554900000000, 0.0031454000000000 ] - [ 0.0000558000000000, -0.0003984300000000, 0.0002272000000000 ] - [ -0.0001596300000000, -0.0007063000000000, 0.0002629600000000 ] - [ -0.0001679900000000, -0.0002600000000000, -0.0003189700000000 ] - [ -0.0005281800000000, 0.0005674200000000, -0.0001705700000000 ] - [ -0.0001927700000000, -0.0009634900000000, 0.0001086800000000 ] - [ -0.0014243700000000, -0.0004854300000000, -0.0014801100000000 ] - [ 0.0009567400000000, -0.0026488500000000, 0.0000784300000000 ] - [ -0.0000375700000000, -0.0005010600000000, -0.0000919600000000 ] - [ 0.0005399100000000, 0.0046804900000000, 0.0028060200000000 ] - [ 0.0002731200000000, -0.0007624700000000, -0.0001997100000000 ] - [ -0.0005318800000000, -0.0010487300000000, -0.0001618300000000 ] - [ -0.0004596900000000, -0.0005785600000000, 0.0002250900000000 ] - [ -0.0000473600000000, -0.0007763500000000, -0.0001346300000000 ] - [ 0.0004381900000000, 0.0031903800000000, -0.0007749200000000 ] - [ -0.0001639200000000, -0.0006975600000000, 0.0000722100000000 ] - [ -0.0003138600000000, -0.0014342100000000, -0.0000270000000000 ] - [ 0.0006831800000000, -0.0007115700000000, 0.0003551800000000 ] - [ 0.0002783400000000, -0.0001280300000000, 0.0001607100000000 ] - [ -0.0000079500000000, 0.0000808200000000, -0.0001083000000000 ] - [ 0.0000018300000000, 0.0003665500000000, -0.0005161600000000 ] - [ 0.0010697500000000, -0.0004556500000000, 0.0007381300000000 ] - [ -0.0039204700000000, -0.0019181600000000, -0.0041021400000000 ] - [ -0.0006705800000000, 0.0014079100000000, 0.0000762700000000 ] - [ -0.0003919000000000, 0.0005638400000000, 0.0007245400000000 ] - [ -0.0000827800000000, 0.0008488200000000, -0.0000308200000000 ] - [ 0.0013464000000000, 0.0015239500000000, -0.0007311800000000 ] - [ -0.0008481800000000, -0.0010974100000000, 0.0006099100000000 ] - [ -0.0004955000000000, -0.0008183100000000, 0.0000483900000000 ] - [ -0.0002711200000000, -0.0009465000000000, -0.0001366400000000 ] - [ 0.0001675700000000, -0.0005099500000000, 0.0001419600000000 ] - [ 0.0004133100000000, -0.0003774500000000, -0.0008479600000000 ] - [ 0.0084887100000000, 0.0003060900000000, 0.0358092100000000 ] - [ -0.0001123800000000, -0.0007167000000000, -0.0011276400000000 ] - [ 0.0000131900000000, -0.0004254600000000, -0.0000384900000000 ] - [ 0.0001647100000000, 0.0003308200000000, 0.0003743500000000 ] - [ 0.0048064500000000, -0.0000915000000000, 0.0074395300000000 ] - [ 0.0001513100000000, -0.0010413700000000, -0.0000154900000000 ] - [ 0.0005722100000000, -0.0002743900000000, 0.0013094300000000 ] - [ -0.0000728600000000, -0.0002720900000000, 0.0004665300000000 ] - [ -0.0001022900000000, 0.0005762400000000, -0.0005450700000000 ] - [ 0.0000185600000000, -0.0004922700000000, -0.0000936700000000 ] - [ -0.0000675600000000, -0.0002828800000000, 0.0002402800000000 ] - [ 0.0003344800000000, -0.0016538000000000, 0.0001048900000000 ] - [ 0.0002896500000000, -0.0005384500000000, -0.0003650100000000 ] - [ 0.0001870800000000, -0.0006295700000000, -0.0000610600000000 ] - [ -0.0000265200000000, -0.0003614300000000, 0.0000479000000000 ] - [ -0.0001523700000000, -0.0001279900000000, 0.0001958100000000 ] - [ 0.0001499000000000, -0.0008777300000000, -0.0001733300000000 ] - [ 0.0004084700000000, 0.0003748800000000, -0.0000190200000000 ] - [ 0.0005271300000000, 0.0003515600000000, -0.0005196700000000 ] - [ 0.0009897500000000, 0.0018479200000000, 0.0003885600000000 ] - [ 0.0000646200000000, 0.0008723900000000, 0.0000694700000000 ] - [ 0.0003746300000000, 0.0016918800000000, -0.0008251500000000 ] - [ -0.0002668700000000, -0.0004166100000000, -0.0000499400000000 ] - [ 0.0001007700000000, 0.0000438600000000, -0.0003594100000000 ] - [ 0.0003960700000000, -0.0005071400000000, -0.0000079400000000 ]- atom: 91 displacement: [ -0.0035230240541542, 0.0000000000000000, 0.0093588621911988 ] forces: - [ 0.0001336300000000, -0.0000458200000000, 0.0002862400000000 ] - [ -0.0000940800000000, 0.0006140700000000, -0.0007867300000000 ] - [ -0.0000897500000000, -0.0000818700000000, -0.0010450400000000 ] - [ 0.0000646800000000, -0.0002110800000000, -0.0001741800000000 ] - [ 0.0003486000000000, 0.0000957100000000, 0.0001094600000000 ] - [ 0.0011237400000000, -0.0007264100000000, -0.0011796300000000 ] - [ -0.0000873600000000, 0.0028596800000000, 0.0000646100000000 ] - [ 0.0005187800000000, 0.0000589900000000, 0.0010478000000000 ] - [ 0.0000497400000000, -0.0001484800000000, 0.0001177800000000 ] - [ -0.0035339100000000, -0.0028828100000000, 0.0047306800000000 ] - [ 0.0000282100000000, 0.0002971200000000, 0.0003624000000000 ] - [ 0.0000805000000000, -0.0001089400000000, -0.0001105900000000 ] - [ 0.0004082400000000, -0.0001105500000000, -0.0001048600000000 ] - [ 0.0000062400000000, 0.0001781300000000, -0.0002187600000000 ] - [ 0.0000954400000000, -0.0006291200000000, -0.0009634600000000 ] - [ -0.0002945100000000, 0.0002339400000000, 0.0001446900000000 ] - [ 0.0008759400000000, -0.0000654200000000, 0.0027148900000000 ] - [ 0.0020336100000000, -0.0029516600000000, -0.0022887500000000 ] - [ -0.0004145700000000, -0.0001093900000000, -0.0003787700000000 ] - [ 0.0000116100000000, -0.0001268800000000, 0.0002030700000000 ] - [ 0.0003567400000000, 0.0000593800000000, 0.0002022800000000 ] - [ -0.0011060100000000, -0.0001728000000000, -0.0012683200000000 ] - [ -0.0001184600000000, 0.0012436000000000, -0.0009508300000000 ] - [ 0.0000666800000000, 0.0000229000000000, -0.0002966500000000 ] - [ 0.0002917500000000, 0.0000979400000000, 0.0006947500000000 ] - [ -0.0000212200000000, 0.0000932600000000, 0.0002104900000000 ] - [ -0.0002212200000000, 0.0001806900000000, -0.0015922800000000 ] - [ -0.0045588400000000, 0.0116327400000000, 0.0237011100000000 ] - [ -0.0009762400000000, 0.0019180000000000, -0.0010315900000000 ] - [ -0.0007699800000000, 0.0028913300000000, 0.0012332600000000 ] - [ -0.0014764700000000, -0.0014909900000000, 0.0010547500000000 ] - [ 0.0022648900000000, -0.0018784900000000, 0.0002420600000000 ] - [ -0.0002760100000000, 0.0010377000000000, 0.0007478200000000 ] - [ 0.0008219100000000, 0.0017702300000000, -0.0015779000000000 ] - [ -0.0000672500000000, -0.0001202200000000, -0.0001676500000000 ] - [ 0.0001145200000000, 0.0000145800000000, -0.0006586900000000 ] - [ -0.0035888900000000, -0.0049606000000000, -0.0029577400000000 ] - [ -0.0001493400000000, -0.0010539500000000, 0.0012415100000000 ] - [ -0.0019019800000000, -0.0017078100000000, 0.0017122200000000 ] - [ 0.0002468900000000, -0.0003800800000000, -0.0004629100000000 ] - [ 0.0004027300000000, 0.0017730300000000, 0.0001266300000000 ] - [ -0.0001496400000000, -0.0006264100000000, -0.0002509900000000 ] - [ -0.0018829100000000, -0.0013367300000000, -0.0133009900000000 ] - [ -0.0000837200000000, 0.0003367100000000, -0.0006924200000000 ] - [ -0.0035748700000000, -0.0010698800000000, 0.0166859100000000 ] - [ 0.0017796700000000, 0.0001054100000000, -0.0038708200000000 ] - [ 0.0004011100000000, -0.0006194100000000, -0.0007031000000000 ] - [ 0.0001756800000000, -0.0006186100000000, -0.0027973900000000 ] - [ -0.0002225600000000, -0.0002850000000000, -0.0000293300000000 ] - [ -0.0000545300000000, 0.0001782300000000, 0.0001108600000000 ] - [ 0.0000096100000000, 0.0003356500000000, -0.0016482800000000 ] - [ 0.0007039600000000, 0.0002091700000000, 0.0029683700000000 ] - [ 0.0075478400000000, 0.0054458200000000, 0.0019874600000000 ] - [ -0.0001834800000000, -0.0000184100000000, 0.0003343400000000 ] - [ 0.0021990200000000, 0.0000135000000000, -0.0007534700000000 ] - [ 0.0000893800000000, -0.0004744000000000, -0.0005364300000000 ] - [ -0.0022856900000000, 0.0006035200000000, -0.0004903400000000 ] - [ 0.0002012600000000, 0.0003970500000000, -0.0004416300000000 ] - [ -0.0044110400000000, 0.0024516200000000, 0.0003894200000000 ] - [ -0.0001751900000000, 0.0007841600000000, 0.0002035900000000 ] - [ 0.0008132900000000, -0.0004494200000000, 0.0005167600000000 ] - [ -0.0003282500000000, 0.0000014900000000, -0.0010083800000000 ] - [ 0.0000583100000000, 0.0002345300000000, 0.0000780600000000 ] - [ 0.0000546500000000, -0.0033055600000000, -0.0012386700000000 ] - [ -0.0001212500000000, 0.0000103800000000, -0.0006892600000000 ] - [ -0.0001245300000000, 0.0001846800000000, -0.0010097600000000 ] - [ -0.0000787200000000, -0.0011635700000000, -0.0026553000000000 ] - [ 0.0000659000000000, -0.0000627800000000, 0.0007227800000000 ] - [ -0.0000897500000000, -0.0003477600000000, -0.0010653600000000 ] - [ 0.0002416900000000, 0.0001805400000000, 0.0003581800000000 ] - [ 0.0008762900000000, 0.0026745700000000, -0.0066215200000000 ] - [ -0.0001143800000000, -0.0041291500000000, 0.0006596800000000 ] - [ 0.0298039900000000, -0.0120480900000000, 0.1174666400000000 ] - [ -0.0004509300000000, 0.0008632100000000, 0.0019774100000000 ] - [ 0.0001706000000000, 0.0001041200000000, 0.0000250300000000 ] - [ -0.0000633300000000, -0.0001151800000000, 0.0011858500000000 ] - [ -0.0000351400000000, 0.0002531000000000, -0.0001391800000000 ] - [ 0.0000160600000000, -0.0009082900000000, -0.0000636100000000 ] - [ 0.0001798600000000, -0.0008901400000000, 0.0000373700000000 ] - [ -0.0001265200000000, 0.0006629400000000, 0.0000740700000000 ] - [ 0.0019615000000000, 0.0052623600000000, -0.0011958000000000 ] - [ -0.0003611800000000, -0.0000276500000000, -0.0027749000000000 ] - [ -0.0003889600000000, -0.0002297900000000, -0.0001095500000000 ] - [ -0.0032503800000000, 0.0066105400000000, -0.0002747600000000 ] - [ -0.0000450000000000, -0.0005755500000000, 0.0003240900000000 ] - [ 0.0001940000000000, -0.0000146900000000, -0.0000745300000000 ] - [ 0.0007037100000000, -0.0006748600000000, -0.0011433500000000 ] - [ -0.0002090800000000, 0.0000325500000000, 0.0001716700000000 ] - [ -0.0005802200000000, -0.0013250600000000, -0.0003735600000000 ] - [ -0.0011202000000000, -0.0006872900000000, 0.0007055300000000 ] - [ -0.0592291400000000, 0.0367316100000000, -0.2132756800000000 ] - [ -0.0004018100000000, 0.0010751100000000, -0.0000880000000000 ] - [ -0.0002262200000000, 0.0002029800000000, 0.0007073200000000 ] - [ 0.0002825600000000, -0.0000501100000000, 0.0014524100000000 ] - [ -0.0015071200000000, -0.0045546400000000, -0.0013567500000000 ] - [ 0.0082771100000000, -0.0021452700000000, 0.0017185100000000 ] - [ 0.0000712800000000, -0.0000165300000000, 0.0000452800000000 ] - [ -0.0000547600000000, 0.0001056200000000, -0.0000495100000000 ] - [ -0.0018995500000000, -0.0029698300000000, 0.0161436700000000 ] - [ -0.0040722300000000, 0.0003242400000000, 0.0002053900000000 ] - [ -0.0000581500000000, 0.0005981500000000, -0.0009075700000000 ] - [ 0.0003073900000000, 0.0003471900000000, 0.0019681100000000 ] - [ 0.0002726100000000, -0.0000101900000000, -0.0001749800000000 ] - [ -0.0000634700000000, -0.0005415200000000, 0.0001494600000000 ] - [ 0.0001381200000000, -0.0003447100000000, -0.0000647700000000 ] - [ 0.0003418600000000, 0.0015993900000000, -0.0020637300000000 ] - [ 0.0007884200000000, -0.0002905400000000, 0.0047721500000000 ] - [ -0.0017638700000000, -0.0000089300000000, -0.0004464200000000 ] - [ 0.0012760400000000, 0.0001647100000000, -0.0006178400000000 ] - [ 0.0003997300000000, 0.0006757300000000, 0.0041169400000000 ] - [ -0.0003997500000000, -0.0001862500000000, -0.0009908800000000 ] - [ 0.0001430200000000, 0.0001606900000000, 0.0006390000000000 ] - [ 0.0001593600000000, 0.0003588500000000, -0.0004955500000000 ] - [ 0.0000291800000000, 0.0000543600000000, 0.0003394700000000 ] - [ -0.0006925700000000, -0.0002021200000000, -0.0007205300000000 ] - [ 0.0003088000000000, 0.0001501100000000, 0.0003662500000000 ] - [ 0.0255233300000000, 0.0057692400000000, -0.0067035400000000 ] - [ 0.0001320900000000, 0.0000970200000000, 0.0002321700000000 ] - [ -0.0019610800000000, -0.0015663800000000, 0.0015327700000000 ] - [ 0.0003755100000000, -0.0015171800000000, 0.0002634400000000 ] - [ -0.0001203900000000, 0.0000138100000000, -0.0000347700000000 ] - [ -0.0000887700000000, -0.0004856600000000, 0.0003354100000000 ] - [ -0.0003008500000000, 0.0005579100000000, -0.0001922900000000 ] - [ 0.0003622100000000, 0.0008444800000000, -0.0000690200000000 ] - [ -0.0001047900000000, -0.0010851100000000, 0.0001771400000000 ] - [ -0.0002115200000000, 0.0007174000000000, -0.0007331700000000 ] - [ -0.0006023600000000, 0.0031880900000000, -0.0010633600000000 ] - [ -0.0000507200000000, 0.0000906900000000, 0.0000921100000000 ] - [ -0.0134394000000000, -0.0077269800000000, 0.0056268100000000 ] - [ 0.0005677900000000, 0.0004975100000000, -0.0002333300000000 ] - [ -0.0002055800000000, -0.0005276000000000, -0.0016451700000000 ] - [ -0.0002496200000000, -0.0001266300000000, 0.0003964200000000 ] - [ -0.0001850700000000, -0.0000530700000000, 0.0000824100000000 ] - [ 0.0006148400000000, 0.0037625100000000, 0.0016527700000000 ] - [ -0.0005900100000000, 0.0001886700000000, -0.0001422900000000 ] - [ 0.0000643700000000, -0.0000602100000000, -0.0001948100000000 ] - [ 0.0004821800000000, -0.0007632800000000, 0.0005132900000000 ] - [ 0.0001741300000000, -0.0001764500000000, 0.0010330500000000 ] - [ 0.0000470000000000, 0.0001626300000000, 0.0000516300000000 ] - [ 0.0003982300000000, 0.0015971200000000, 0.0004903300000000 ] - [ 0.0023057200000000, -0.0021098400000000, 0.0019228600000000 ] - [ -0.0010349700000000, 0.0012611700000000, -0.0026659700000000 ] - [ -0.0017436800000000, 0.0007241800000000, 0.0019709700000000 ] - [ -0.0002607100000000, -0.0003320100000000, 0.0011500300000000 ] - [ -0.0001508500000000, 0.0010912200000000, 0.0002974000000000 ] - [ -0.0022408900000000, -0.0017500400000000, 0.0028650800000000 ] - [ 0.0000040700000000, 0.0001198600000000, -0.0009426900000000 ] - [ -0.0005066600000000, -0.0006616700000000, 0.0000822000000000 ] - [ -0.0001776700000000, -0.0002907900000000, -0.0000153500000000 ] - [ 0.0001064000000000, -0.0000894500000000, 0.0012860300000000 ] - [ -0.0002547300000000, 0.0007860700000000, 0.0009479800000000 ] - [ 0.0207906800000000, -0.0273499200000000, 0.0460510400000000 ] - [ 0.0007752600000000, 0.0003587600000000, 0.0004330800000000 ] - [ 0.0002540700000000, 0.0005055000000000, -0.0001652700000000 ] - [ -0.0003622300000000, -0.0003542300000000, 0.0008706600000000 ] - [ 0.0045340300000000, -0.0070931300000000, 0.0035758400000000 ] - [ 0.0001546400000000, -0.0001949100000000, 0.0001825100000000 ] - [ 0.0007201300000000, -0.0006847100000000, 0.0009381300000000 ] - [ 0.0000765500000000, -0.0004223200000000, 0.0001806700000000 ] - [ 0.0005293300000000, 0.0003038100000000, 0.0004683200000000 ] - [ 0.0000496700000000, -0.0000912300000000, -0.0000533000000000 ] - [ -0.0001173100000000, 0.0000656800000000, 0.0004380000000000 ] - [ 0.0000205500000000, -0.0004565500000000, -0.0002731000000000 ] - [ 0.0002296700000000, -0.0000512900000000, -0.0006469100000000 ] - [ -0.0001018200000000, -0.0001249600000000, -0.0001013400000000 ] - [ -0.0001068100000000, 0.0001070500000000, 0.0005351500000000 ] - [ 0.0001222800000000, -0.0001906700000000, 0.0018521700000000 ] - [ 0.0002375800000000, 0.0002724300000000, -0.0002820100000000 ] - [ 0.0013972000000000, -0.0006076600000000, 0.0002734400000000 ] - [ 0.0000019900000000, 0.0002215200000000, 0.0009940700000000 ] - [ 0.0024490300000000, -0.0013673900000000, -0.0001366900000000 ] - [ 0.0001969900000000, 0.0003449900000000, 0.0011942700000000 ] - [ 0.0017049100000000, 0.0002672300000000, 0.0009613900000000 ] - [ -0.0002796600000000, -0.0004520100000000, -0.0010925100000000 ] - [ -0.0007813000000000, 0.0005939800000000, 0.0011732400000000 ] - [ 0.0000653000000000, -0.0000171100000000, -0.0008726900000000 ]- atom: 91 displacement: [ 0.0035230240541542, 0.0000000000000000, -0.0093588621911988 ] forces: - [ 0.0000564400000000, -0.0001652200000000, -0.0001027300000000 ] - [ -0.0000333100000000, -0.0001743000000000, 0.0007336100000000 ] - [ 0.0007085000000000, 0.0000684000000000, 0.0009058100000000 ] - [ 0.0000279400000000, -0.0004536700000000, 0.0004547600000000 ] - [ -0.0004437900000000, -0.0007635200000000, -0.0003891200000000 ] - [ -0.0013279700000000, 0.0005169100000000, 0.0010008600000000 ] - [ -0.0000995200000000, -0.0026550300000000, -0.0002458400000000 ] - [ 0.0003516800000000, 0.0002763300000000, -0.0008365000000000 ] - [ 0.0000104100000000, 0.0000474500000000, -0.0002315400000000 ] - [ 0.0033832200000000, 0.0028873500000000, -0.0046388000000000 ] - [ 0.0000632800000000, 0.0003699100000000, -0.0000836500000000 ] - [ 0.0000475300000000, -0.0003300700000000, 0.0001659200000000 ] - [ 0.0004605200000000, -0.0002235900000000, 0.0003241800000000 ] - [ 0.0000522500000000, -0.0000737100000000, 0.0001052200000000 ] - [ -0.0001549800000000, 0.0005323200000000, 0.0010847400000000 ] - [ -0.0003217400000000, -0.0002434200000000, 0.0000011700000000 ] - [ -0.0009878400000000, -0.0003934700000000, -0.0027966800000000 ] - [ -0.0029226000000000, 0.0026289400000000, 0.0021136500000000 ] - [ -0.0004543200000000, 0.0004485900000000, 0.0001614200000000 ] - [ 0.0001138400000000, 0.0005720300000000, -0.0001445000000000 ] - [ 0.0002592700000000, -0.0000484200000000, -0.0003503500000000 ] - [ 0.0010266500000000, 0.0008407900000000, 0.0009966400000000 ] - [ -0.0004968500000000, -0.0012486500000000, 0.0010979400000000 ] - [ 0.0001224900000000, 0.0001912700000000, 0.0004839100000000 ] - [ 0.0002325100000000, -0.0004144700000000, 0.0002228500000000 ] - [ 0.0000899600000000, -0.0005597800000000, 0.0000756400000000 ] - [ -0.0001544900000000, -0.0012172200000000, 0.0022604000000000 ] - [ 0.0041135600000000, -0.0128362700000000, -0.0266599500000000 ] - [ 0.0009067000000000, -0.0014468500000000, 0.0007495700000000 ] - [ 0.0009520000000000, -0.0025861900000000, -0.0021237000000000 ] - [ 0.0012986600000000, 0.0018154000000000, -0.0001881900000000 ] - [ -0.0021668300000000, 0.0022717200000000, -0.0001565700000000 ] - [ -0.0000965100000000, -0.0000086800000000, -0.0000849900000000 ] - [ -0.0013488000000000, -0.0014516900000000, 0.0006668400000000 ] - [ -0.0000502000000000, -0.0002505000000000, 0.0000817400000000 ] - [ 0.0000713400000000, -0.0003246900000000, -0.0002103400000000 ] - [ 0.0040447500000000, 0.0051868100000000, 0.0029433800000000 ] - [ 0.0005221700000000, 0.0000384700000000, -0.0019139800000000 ] - [ 0.0018363700000000, 0.0012366300000000, -0.0020199400000000 ] - [ 0.0001510100000000, 0.0002030200000000, 0.0003773700000000 ] - [ -0.0005141500000000, -0.0014018500000000, -0.0002279200000000 ] - [ 0.0006777000000000, 0.0009555800000000, 0.0011858800000000 ] - [ 0.0019917200000000, 0.0009425200000000, 0.0134205100000000 ] - [ -0.0003154700000000, -0.0001480100000000, 0.0007822300000000 ] - [ 0.0032053800000000, 0.0010816300000000, -0.0167135200000000 ] - [ -0.0014213800000000, 0.0009066600000000, 0.0032246900000000 ] - [ -0.0003328300000000, 0.0010929500000000, 0.0010002200000000 ] - [ -0.0003561200000000, 0.0002977300000000, 0.0036992900000000 ] - [ -0.0000937000000000, -0.0001867200000000, -0.0000245600000000 ] - [ 0.0001263500000000, 0.0002214000000000, 0.0000575100000000 ] - [ 0.0004398600000000, -0.0002694700000000, 0.0009603400000000 ] - [ -0.0003967000000000, -0.0003535700000000, -0.0024355700000000 ] - [ -0.0071849900000000, -0.0048449100000000, -0.0022635200000000 ] - [ -0.0002367000000000, 0.0006856200000000, -0.0000978400000000 ] - [ -0.0018874400000000, -0.0004881200000000, 0.0008099700000000 ] - [ 0.0002101000000000, -0.0003037400000000, 0.0000833500000000 ] - [ 0.0023210100000000, -0.0000114300000000, 0.0002764800000000 ] - [ 0.0002192900000000, -0.0010576400000000, 0.0002021000000000 ] - [ 0.0043450700000000, -0.0020771700000000, -0.0005752000000000 ] - [ 0.0001417900000000, -0.0013843000000000, 0.0000143700000000 ] - [ -0.0011265300000000, 0.0005929800000000, -0.0010504900000000 ] - [ 0.0006262400000000, 0.0001335300000000, 0.0015568500000000 ] - [ -0.0000920400000000, 0.0003801800000000, 0.0001384600000000 ] - [ -0.0004876400000000, 0.0026565300000000, 0.0014857900000000 ] - [ -0.0001702100000000, -0.0001416800000000, 0.0001456800000000 ] - [ 0.0003801700000000, -0.0004501600000000, 0.0008697800000000 ] - [ -0.0001748100000000, 0.0014255700000000, 0.0028061100000000 ] - [ 0.0002578500000000, 0.0008614900000000, -0.0011869200000000 ] - [ -0.0002133500000000, 0.0011353000000000, 0.0015287100000000 ] - [ 0.0000125900000000, 0.0000828000000000, -0.0005027200000000 ] - [ -0.0013342300000000, -0.0027664000000000, 0.0073799100000000 ] - [ 0.0004465000000000, 0.0046386300000000, -0.0006150500000000 ] - [ -0.0266200500000000, 0.0105090200000000, -0.1137272800000000 ] - [ 0.0000025700000000, -0.0007994700000000, -0.0012922900000000 ] - [ 0.0002790400000000, -0.0001728900000000, -0.0007209600000000 ] - [ -0.0001906000000000, -0.0001431000000000, -0.0010483100000000 ] - [ -0.0000365800000000, -0.0006484200000000, -0.0000293300000000 ] - [ 0.0000166000000000, 0.0002992300000000, -0.0001530700000000 ] - [ -0.0000959600000000, 0.0004945500000000, 0.0001319600000000 ] - [ -0.0001907100000000, -0.0001883600000000, -0.0001289900000000 ] - [ -0.0015077500000000, -0.0044908100000000, 0.0013003800000000 ] - [ 0.0002303600000000, 0.0000116800000000, 0.0036248900000000 ] - [ -0.0001639700000000, 0.0000566000000000, 0.0005849800000000 ] - [ 0.0030164300000000, -0.0058998500000000, 0.0000550200000000 ] - [ 0.0001120100000000, 0.0004576100000000, 0.0003429100000000 ] - [ 0.0002919800000000, 0.0000845800000000, 0.0002898400000000 ] - [ -0.0002183200000000, 0.0005689600000000, 0.0008945600000000 ] - [ -0.0003521500000000, 0.0000520000000000, -0.0003800400000000 ] - [ 0.0001893000000000, 0.0012637500000000, 0.0007864600000000 ] - [ 0.0015966200000000, -0.0001144100000000, -0.0006460500000000 ] - [ 0.0557746400000000, -0.0345129900000000, 0.2126718700000000 ] - [ 0.0001268700000000, 0.0000103100000000, 0.0004397800000000 ] - [ -0.0002574300000000, 0.0003066100000000, 0.0001259000000000 ] - [ 0.0002872500000000, 0.0000270500000000, -0.0008861700000000 ] - [ 0.0013526700000000, 0.0034164600000000, 0.0017277300000000 ] - [ -0.0081394700000000, 0.0010425100000000, -0.0020646700000000 ] - [ 0.0001959500000000, 0.0007945200000000, 0.0002000100000000 ] - [ 0.0002072300000000, -0.0012914000000000, -0.0002898900000000 ] - [ 0.0015286300000000, 0.0030837300000000, -0.0159222500000000 ] - [ 0.0037181000000000, 0.0005483200000000, -0.0002596900000000 ] - [ 0.0001933100000000, -0.0005813200000000, 0.0000661100000000 ] - [ -0.0008805100000000, -0.0003178200000000, -0.0025461500000000 ] - [ 0.0002973400000000, 0.0000345300000000, 0.0007483600000000 ] - [ -0.0001557200000000, -0.0005894900000000, 0.0002189100000000 ] - [ 0.0001374400000000, -0.0007420900000000, -0.0002848500000000 ] - [ -0.0005567000000000, -0.0015360400000000, 0.0022519400000000 ] - [ -0.0012843800000000, 0.0003667300000000, -0.0050335700000000 ] - [ 0.0022436000000000, 0.0005203000000000, -0.0003969100000000 ] - [ -0.0010679500000000, -0.0002439500000000, 0.0004257600000000 ] - [ -0.0007323400000000, -0.0001353600000000, -0.0035430600000000 ] - [ 0.0000690200000000, -0.0003558500000000, 0.0015843300000000 ] - [ 0.0004261900000000, -0.0002548800000000, -0.0004343400000000 ] - [ 0.0001721000000000, 0.0001772900000000, -0.0000874000000000 ] - [ 0.0000395400000000, 0.0000650000000000, 0.0003245100000000 ] - [ 0.0002184700000000, -0.0003132600000000, 0.0015632300000000 ] - [ -0.0000756800000000, -0.0000644700000000, -0.0005607700000000 ] - [ -0.0253041800000000, -0.0058864100000000, 0.0064702400000000 ] - [ 0.0001932200000000, 0.0000385200000000, 0.0000992700000000 ] - [ 0.0016932800000000, 0.0007909500000000, -0.0017814900000000 ] - [ -0.0000460000000000, 0.0013528900000000, 0.0000865500000000 ] - [ -0.0003532200000000, 0.0007886000000000, -0.0000295200000000 ] - [ -0.0001855700000000, 0.0002440200000000, -0.0000048500000000 ] - [ -0.0000235000000000, -0.0007030800000000, -0.0001400600000000 ] - [ -0.0001441300000000, -0.0005148000000000, 0.0001885800000000 ] - [ -0.0002812900000000, 0.0002190800000000, -0.0002375800000000 ] - [ -0.0000305300000000, -0.0008693400000000, 0.0004463600000000 ] - [ 0.0005337100000000, -0.0033336300000000, 0.0004030500000000 ] - [ -0.0001797400000000, 0.0000445300000000, -0.0003747900000000 ] - [ 0.0145883100000000, 0.0079926300000000, -0.0055931000000000 ] - [ 0.0003968700000000, 0.0000856400000000, 0.0001022700000000 ] - [ -0.0002814000000000, 0.0004577900000000, 0.0014366900000000 ] - [ 0.0000126700000000, 0.0000363200000000, -0.0002047900000000 ] - [ -0.0000308000000000, -0.0002802600000000, -0.0002010400000000 ] - [ -0.0004497600000000, -0.0025911500000000, -0.0020199700000000 ] - [ -0.0003487900000000, -0.0000508800000000, 0.0000203000000000 ] - [ 0.0002126200000000, 0.0011406700000000, -0.0001526500000000 ] - [ 0.0004606900000000, 0.0006201000000000, -0.0003916600000000 ] - [ 0.0002188800000000, 0.0001106300000000, -0.0014580800000000 ] - [ 0.0001725800000000, 0.0009656000000000, -0.0004215900000000 ] - [ -0.0013325200000000, -0.0017451300000000, -0.0006231900000000 ] - [ -0.0025780800000000, 0.0010286100000000, -0.0015725900000000 ] - [ 0.0004541600000000, -0.0013862300000000, 0.0024563500000000 ] - [ 0.0016784000000000, -0.0006019700000000, -0.0026402100000000 ] - [ -0.0002917300000000, 0.0005105500000000, -0.0006784200000000 ] - [ -0.0000725200000000, 0.0000331400000000, 0.0000682100000000 ] - [ 0.0027540600000000, 0.0018788900000000, -0.0031441800000000 ] - [ -0.0002451600000000, -0.0002639400000000, 0.0013835600000000 ] - [ -0.0004582700000000, 0.0000731300000000, 0.0000490200000000 ] - [ -0.0002956700000000, -0.0005155300000000, -0.0000510500000000 ] - [ 0.0001224100000000, -0.0000510700000000, -0.0010127200000000 ] - [ 0.0004904300000000, -0.0009257700000000, -0.0013784300000000 ] - [ -0.0201774200000000, 0.0270353300000000, -0.0460987500000000 ] - [ -0.0002953100000000, -0.0008744700000000, -0.0012706700000000 ] - [ 0.0001314200000000, 0.0003568500000000, 0.0002257000000000 ] - [ -0.0001224600000000, 0.0002520100000000, -0.0006214500000000 ] - [ -0.0048488500000000, 0.0074209900000000, -0.0032577500000000 ] - [ 0.0001150900000000, -0.0005880700000000, 0.0000590400000000 ] - [ -0.0002332600000000, 0.0006181600000000, -0.0007203000000000 ] - [ 0.0002543000000000, -0.0001151200000000, -0.0007620100000000 ] - [ -0.0002723700000000, -0.0005446200000000, -0.0008152700000000 ] - [ 0.0000810900000000, 0.0000708300000000, -0.0007788100000000 ] - [ -0.0000333900000000, 0.0011101900000000, -0.0001003200000000 ] - [ -0.0002347400000000, 0.0007841800000000, 0.0001572100000000 ] - [ 0.0001625600000000, 0.0001160100000000, 0.0002323600000000 ] - [ -0.0003842000000000, 0.0002285400000000, 0.0003534400000000 ] - [ -0.0001264600000000, 0.0000263900000000, -0.0001114000000000 ] - [ -0.0002544300000000, 0.0002088800000000, -0.0010285700000000 ] - [ 0.0000363900000000, -0.0000360000000000, -0.0000486900000000 ] - [ -0.0011823300000000, 0.0002816700000000, -0.0001605600000000 ] - [ 0.0009526000000000, -0.0008039500000000, -0.0011294500000000 ] - [ -0.0034211100000000, 0.0019663700000000, 0.0002716500000000 ] - [ 0.0003574700000000, -0.0005140300000000, -0.0016724800000000 ] - [ -0.0020367000000000, -0.0001088000000000, -0.0013118600000000 ] - [ -0.0002910500000000, 0.0004247100000000, 0.0005205600000000 ] - [ 0.0011804600000000, -0.0014622800000000, -0.0011210900000000 ] - [ 0.0004896400000000, 0.0001891500000000, 0.0004024000000000 ]- atom: 92 displacement: [ 0.0099999639143206, 0.0000000000000000, -0.0000268647033593 ] forces: - [ 0.0001374600000000, -0.0002595000000000, 0.0001210300000000 ] - [ 0.0007874000000000, 0.0003178200000000, 0.0003567300000000 ] - [ 0.0001617800000000, -0.0001416700000000, 0.0002009200000000 ] - [ -0.0000131700000000, -0.0003579000000000, 0.0001629700000000 ] - [ 0.0009208900000000, -0.0001361000000000, -0.0004508800000000 ] - [ 0.0023069700000000, 0.0000598900000000, 0.0014338800000000 ] - [ -0.0004521700000000, 0.0000827400000000, 0.0001364000000000 ] - [ 0.0008614600000000, -0.0000724400000000, -0.0000092400000000 ] - [ 0.0000687800000000, -0.0001011100000000, -0.0000984400000000 ] - [ -0.0010342100000000, -0.0002220200000000, -0.0012004700000000 ] - [ 0.0000054700000000, 0.0003092300000000, 0.0000565300000000 ] - [ 0.0000904900000000, -0.0003835600000000, -0.0000178700000000 ] - [ 0.0004173100000000, 0.0000436200000000, 0.0003983200000000 ] - [ -0.0000119800000000, 0.0000595400000000, 0.0000097400000000 ] - [ -0.0012172900000000, -0.0000431300000000, -0.0002100800000000 ] - [ -0.0003755800000000, 0.0000662500000000, -0.0000680200000000 ] - [ 0.0010050000000000, 0.0015894400000000, 0.0012317100000000 ] - [ -0.0005983400000000, -0.0002014400000000, -0.0002344400000000 ] - [ -0.0015121800000000, -0.0002876300000000, -0.0003700800000000 ] - [ 0.0000342400000000, 0.0001906800000000, 0.0000162600000000 ] - [ 0.0013310300000000, 0.0004222100000000, -0.0007941300000000 ] - [ -0.0016602900000000, -0.0007793200000000, 0.0021960000000000 ] - [ -0.0006414200000000, 0.0002486900000000, 0.0001441600000000 ] - [ 0.0001514600000000, 0.0000657200000000, 0.0001512100000000 ] - [ 0.0011673600000000, 0.0000835800000000, 0.0002867700000000 ] - [ -0.0008922100000000, -0.0002753900000000, 0.0000713000000000 ] - [ 0.0019438800000000, -0.0013935800000000, 0.0005522200000000 ] - [ -0.0068502500000000, 0.0018756000000000, -0.0005840600000000 ] - [ -0.0002011200000000, 0.0004186300000000, 0.0016803200000000 ] - [ -0.0004432700000000, -0.0010293600000000, -0.0006288300000000 ] - [ -0.0082232700000000, 0.0119943800000000, -0.0019094100000000 ] - [ 0.0121581700000000, 0.0000386700000000, -0.0017802100000000 ] - [ -0.0000616000000000, -0.0003404500000000, 0.0009894600000000 ] - [ -0.0002259000000000, 0.0003386500000000, -0.0019564800000000 ] - [ -0.0000286200000000, -0.0003430000000000, 0.0001096000000000 ] - [ 0.0000395000000000, -0.0003360900000000, -0.0004721700000000 ] - [ 0.0006820300000000, 0.0002930800000000, 0.0003189500000000 ] - [ -0.0020973500000000, -0.0021536300000000, 0.0005573600000000 ] - [ 0.0273222200000000, 0.0058178800000000, 0.0007208400000000 ] - [ 0.0041204700000000, 0.0035798600000000, 0.0020105400000000 ] - [ 0.0001187300000000, 0.0005057900000000, -0.0001505300000000 ] - [ 0.0002626600000000, 0.0000863600000000, 0.0006231000000000 ] - [ 0.0003303500000000, -0.0000659600000000, 0.0007465800000000 ] - [ 0.0000517100000000, -0.0008814400000000, -0.0003055000000000 ] - [ -0.0013337200000000, 0.0006383500000000, -0.0000060300000000 ] - [ 0.0009755800000000, 0.0011280000000000, -0.0007793200000000 ] - [ 0.0000319200000000, 0.0001928200000000, 0.0000029900000000 ] - [ -0.0000738200000000, 0.0000051900000000, -0.0001579600000000 ] - [ -0.0001225300000000, -0.0003793400000000, -0.0000132000000000 ] - [ -0.0008646000000000, 0.0012158000000000, 0.0000246000000000 ] - [ 0.0000076300000000, -0.0001750500000000, -0.0000917900000000 ] - [ 0.0008179900000000, -0.0008206200000000, -0.0023152400000000 ] - [ 0.0006863100000000, 0.0022077300000000, 0.0000382500000000 ] - [ -0.0003157400000000, -0.0025956200000000, 0.0016483000000000 ] - [ 0.0002165100000000, -0.0000941300000000, -0.0002127000000000 ] - [ 0.0005263800000000, -0.0004226100000000, 0.0000961300000000 ] - [ -0.0000118300000000, 0.0004277900000000, 0.0001031300000000 ] - [ 0.0003196600000000, -0.0004428400000000, -0.0000579700000000 ] - [ -0.0021119900000000, -0.0020221700000000, -0.0002059500000000 ] - [ -0.0002375800000000, -0.0002988000000000, 0.0001277800000000 ] - [ -0.0002778500000000, 0.0000683500000000, -0.0005172300000000 ] - [ 0.0000197500000000, 0.0001327500000000, 0.0026141300000000 ] - [ -0.0000206200000000, 0.0001737100000000, 0.0001131100000000 ] - [ -0.0001743700000000, -0.0002827000000000, 0.0001839100000000 ] - [ -0.0004283100000000, -0.0002282600000000, -0.0001818200000000 ] - [ 0.0001074300000000, -0.0001166600000000, -0.0000408600000000 ] - [ 0.0013604700000000, -0.0001673900000000, 0.0023681100000000 ] - [ 0.0002894700000000, 0.0004470000000000, -0.0001595700000000 ] - [ 0.0025776300000000, -0.0040164600000000, -0.0043741700000000 ] - [ -0.0000596300000000, -0.0001580700000000, -0.0001512100000000 ] - [ -0.0013865200000000, -0.0003511900000000, -0.0002857300000000 ] - [ -0.0065509900000000, -0.0007752700000000, 0.0005455200000000 ] - [ -0.0009197000000000, -0.0005364900000000, 0.0002887200000000 ] - [ -0.0024476700000000, 0.0004582100000000, -0.0017560400000000 ] - [ 0.0004494100000000, -0.0001696800000000, -0.0005502200000000 ] - [ -0.0006963400000000, -0.0028650500000000, 0.0028511400000000 ] - [ -0.0001307900000000, -0.0002108900000000, -0.0001133200000000 ] - [ 0.1695311900000000, -0.0876930600000000, -0.0151205400000000 ] - [ -0.0000576600000000, -0.0001892000000000, 0.0000445600000000 ] - [ -0.0000009000000000, 0.0000340700000000, -0.0000403000000000 ] - [ 0.0077913900000000, 0.0003990500000000, 0.0008452800000000 ] - [ -0.0020266500000000, 0.0009290500000000, 0.0055155500000000 ] - [ 0.0000302600000000, 0.0002446600000000, 0.0000939000000000 ] - [ 0.0099538100000000, 0.0007101800000000, -0.0017283900000000 ] - [ -0.0003065800000000, 0.0001868900000000, 0.0004340300000000 ] - [ 0.0001663300000000, 0.0000892000000000, 0.0001782300000000 ] - [ 0.0021162700000000, -0.0006119700000000, -0.0001944900000000 ] - [ -0.0008930700000000, 0.0001791500000000, -0.0004722900000000 ] - [ 0.0000670100000000, 0.0000823900000000, 0.0017324300000000 ] - [ 0.0002968900000000, -0.0005659300000000, 0.0003554800000000 ] - [ 0.0009842200000000, -0.0001069600000000, 0.0001894300000000 ] - [ -0.2785861200000000, 0.1018066500000000, 0.0222720600000000 ] - [ -0.0000518000000000, 0.0002920400000000, 0.0003963200000000 ] - [ 0.0002845600000000, -0.0000656700000000, 0.0003002600000000 ] - [ -0.0001647200000000, -0.0015403500000000, -0.0001075000000000 ] - [ 0.0045916400000000, 0.0014676700000000, -0.0002081200000000 ] - [ -0.0001139000000000, 0.0005166100000000, 0.0001555800000000 ] - [ -0.0025097200000000, 0.0065466400000000, 0.0014874300000000 ] - [ 0.0015200700000000, -0.0002810800000000, 0.0004346300000000 ] - [ -0.0043940400000000, -0.0020640400000000, -0.0000695400000000 ] - [ 0.0000830400000000, 0.0000487100000000, -0.0001941700000000 ] - [ -0.0017562000000000, 0.0021938400000000, -0.0040425700000000 ] - [ 0.0005895700000000, 0.0002493400000000, 0.0004565700000000 ] - [ 0.0001873200000000, -0.0013214700000000, 0.0001974700000000 ] - [ 0.0001194200000000, -0.0004522400000000, -0.0001841800000000 ] - [ 0.0001707100000000, 0.0000154400000000, 0.0002364300000000 ] - [ 0.0005664400000000, 0.0003203200000000, 0.0002346900000000 ] - [ 0.0003377300000000, 0.0003426700000000, 0.0007470300000000 ] - [ -0.0010406500000000, 0.0002905600000000, 0.0005946300000000 ] - [ -0.0007696200000000, 0.0000937900000000, -0.0009792600000000 ] - [ -0.0006660700000000, 0.0036202800000000, -0.0063576500000000 ] - [ -0.0021523000000000, 0.0017137100000000, 0.0003276300000000 ] - [ 0.0002409300000000, 0.0004346400000000, -0.0003357500000000 ] - [ 0.0000233700000000, 0.0002811400000000, 0.0001608200000000 ] - [ -0.0001421000000000, -0.0001250800000000, 0.0006821700000000 ] - [ 0.0001123300000000, -0.0013834500000000, -0.0017077400000000 ] - [ 0.0010486100000000, -0.0005993000000000, -0.0003659200000000 ] - [ 0.0001653500000000, 0.0002495200000000, 0.0002303300000000 ] - [ -0.0002689300000000, -0.0005180400000000, 0.0000108800000000 ] - [ 0.0004118400000000, -0.0001315000000000, 0.0002074800000000 ] - [ -0.0003736000000000, 0.0005199700000000, -0.0000389400000000 ] - [ -0.0000399100000000, -0.0000046900000000, 0.0003785700000000 ] - [ -0.0110966600000000, -0.0217315500000000, -0.0015036100000000 ] - [ 0.0701630900000000, -0.0235312000000000, -0.0083423600000000 ] - [ -0.0001936400000000, -0.0004693400000000, -0.0003582000000000 ] - [ -0.0002048000000000, -0.0000635600000000, -0.0001757900000000 ] - [ 0.0058611500000000, 0.0009064200000000, -0.0019052400000000 ] - [ -0.0003876500000000, -0.0003599700000000, -0.0003237400000000 ] - [ 0.0012189600000000, -0.0016275200000000, -0.0001652000000000 ] - [ 0.0022774500000000, -0.0008455600000000, 0.0003687300000000 ] - [ 0.0008319000000000, -0.0011751000000000, 0.0035275500000000 ] - [ 0.0001162000000000, 0.0002494400000000, 0.0001038400000000 ] - [ -0.0000967600000000, -0.0000793000000000, -0.0000515100000000 ] - [ 0.0000738400000000, 0.0005254200000000, -0.0003141400000000 ] - [ -0.0021081900000000, 0.0013591100000000, -0.0004673400000000 ] - [ 0.0003287200000000, 0.0006244000000000, -0.0001781600000000 ] - [ 0.0003184900000000, 0.0000009300000000, 0.0002683400000000 ] - [ 0.0002762000000000, 0.0000663500000000, -0.0004770900000000 ] - [ 0.0002204600000000, 0.0005479400000000, -0.0001625600000000 ] - [ -0.0005121400000000, -0.0000903800000000, -0.0001302000000000 ] - [ -0.0001540100000000, -0.0006268900000000, -0.0001395600000000 ] - [ -0.0003401200000000, -0.0002007400000000, -0.0001840200000000 ] - [ -0.0001764600000000, -0.0000752300000000, -0.0002114400000000 ] - [ -0.0006991200000000, -0.0000056900000000, 0.0002273700000000 ] - [ -0.0000776900000000, 0.0005616900000000, 0.0001822500000000 ] - [ 0.0011546500000000, -0.0007937300000000, 0.0007371900000000 ] - [ -0.0001913100000000, -0.0000817300000000, 0.0002141300000000 ] - [ -0.0004811200000000, -0.0002287500000000, -0.0001780600000000 ] - [ -0.0002499000000000, -0.0003158700000000, -0.0000363600000000 ] - [ 0.0003287300000000, 0.0011154200000000, 0.0028190400000000 ] - [ 0.0019722300000000, 0.0051281700000000, 0.0074101700000000 ] - [ 0.0005111300000000, 0.0000475200000000, -0.0004860000000000 ] - [ 0.0021550900000000, -0.0014119100000000, -0.0024425800000000 ] - [ 0.0010087100000000, 0.0013716700000000, -0.0002238800000000 ] - [ -0.0002473100000000, 0.0002182900000000, -0.0001432600000000 ] - [ 0.0019196900000000, 0.0010836300000000, 0.0003836800000000 ] - [ 0.0001281600000000, -0.0002811600000000, 0.0000896000000000 ] - [ 0.0003981000000000, 0.0000868900000000, -0.0000603000000000 ] - [ 0.0001692500000000, -0.0002702600000000, -0.0003044100000000 ] - [ 0.0001751200000000, -0.0000911900000000, -0.0001736900000000 ] - [ 0.0002575000000000, 0.0000864400000000, -0.0005337000000000 ] - [ -0.0001997700000000, 0.0007363000000000, 0.0001371000000000 ] - [ 0.0001644800000000, 0.0003597100000000, -0.0000253000000000 ] - [ 0.0000035100000000, 0.0000552700000000, 0.0000181900000000 ] - [ -0.0006396500000000, 0.0002455400000000, 0.0002788000000000 ] - [ -0.0002049500000000, 0.0000806200000000, 0.0000292700000000 ] - [ 0.0001331800000000, 0.0002626600000000, -0.0016329800000000 ] - [ 0.0002122200000000, -0.0018067700000000, -0.0000191800000000 ] - [ 0.0000726100000000, -0.0002868200000000, -0.0000574100000000 ] - [ 0.0005357400000000, -0.0003391900000000, 0.0000943100000000 ] - [ 0.0006987300000000, 0.0036946400000000, -0.0003226400000000 ] - [ -0.0010031100000000, 0.0005811900000000, -0.0010484100000000 ] - [ -0.0002006400000000, -0.0000292700000000, -0.0002954000000000 ] - [ -0.0006108500000000, 0.0006641700000000, -0.0026581800000000 ] - [ 0.0001462100000000, -0.0004682800000000, 0.0000516900000000 ] - [ 0.0010104400000000, 0.0017729600000000, -0.0010394400000000 ]- atom: 92 displacement: [ -0.0099999639143206, 0.0000000000000000, 0.0000268647033593 ] forces: - [ 0.0000521500000000, 0.0000434800000000, 0.0000653100000000 ] - [ -0.0009161400000000, 0.0001204000000000, -0.0004176600000000 ] - [ 0.0004595200000000, 0.0001324700000000, -0.0003458900000000 ] - [ 0.0001052200000000, -0.0003083200000000, 0.0001147300000000 ] - [ -0.0010103000000000, -0.0005362500000000, 0.0001836300000000 ] - [ -0.0026225300000000, -0.0001828600000000, -0.0017672700000000 ] - [ 0.0002620900000000, 0.0001339700000000, -0.0003262300000000 ] - [ 0.0000095200000000, 0.0004159700000000, 0.0002292400000000 ] - [ -0.0000082700000000, -0.0000070500000000, -0.0000184200000000 ] - [ 0.0009805400000000, 0.0003261100000000, 0.0013115300000000 ] - [ 0.0000867800000000, 0.0003592900000000, 0.0002209300000000 ] - [ 0.0000396900000000, -0.0000573500000000, 0.0000736400000000 ] - [ 0.0004536700000000, -0.0003823400000000, -0.0001778300000000 ] - [ 0.0000728000000000, 0.0000507100000000, -0.0001266600000000 ] - [ 0.0011580600000000, -0.0000677800000000, 0.0003323700000000 ] - [ -0.0002420500000000, -0.0000751500000000, 0.0002107800000000 ] - [ -0.0011887700000000, -0.0020098800000000, -0.0012275700000000 ] - [ -0.0002700100000000, -0.0001375300000000, 0.0000145200000000 ] - [ 0.0006442600000000, 0.0006323400000000, 0.0001545600000000 ] - [ 0.0000964200000000, 0.0002534800000000, 0.0000387300000000 ] - [ -0.0007160400000000, -0.0004205900000000, 0.0006594000000000 ] - [ 0.0015770800000000, 0.0014364400000000, -0.0024647900000000 ] - [ 0.0000231400000000, -0.0002402900000000, -0.0000007700000000 ] - [ 0.0000387400000000, 0.0001531600000000, 0.0000353800000000 ] - [ -0.0006606300000000, -0.0004069500000000, 0.0006194600000000 ] - [ 0.0009796900000000, -0.0001945700000000, 0.0002106000000000 ] - [ -0.0023307700000000, 0.0003879900000000, 0.0001166900000000 ] - [ 0.0063607700000000, -0.0022419000000000, -0.0003195900000000 ] - [ 0.0001170000000000, 0.0000556000000000, -0.0019589800000000 ] - [ 0.0006264400000000, 0.0013490900000000, -0.0002284800000000 ] - [ 0.0080719300000000, -0.0115908600000000, 0.0027505100000000 ] - [ -0.0126128200000000, -0.0003143300000000, 0.0019674300000000 ] - [ -0.0003311200000000, 0.0013687700000000, -0.0003242000000000 ] - [ -0.0002843400000000, -0.0000166600000000, 0.0010550600000000 ] - [ -0.0000843800000000, -0.0000253200000000, -0.0001873500000000 ] - [ 0.0001423300000000, 0.0000195400000000, -0.0003832100000000 ] - [ -0.0003124600000000, -0.0001054700000000, -0.0004201200000000 ] - [ 0.0024912000000000, 0.0011427900000000, -0.0012390000000000 ] - [ -0.0267495200000000, -0.0054551600000000, -0.0008730200000000 ] - [ -0.0037669500000000, -0.0038173200000000, -0.0021444800000000 ] - [ -0.0002335900000000, -0.0001298200000000, 0.0000746000000000 ] - [ 0.0002462700000000, 0.0002419400000000, 0.0002820300000000 ] - [ -0.0002194400000000, -0.0003067800000000, -0.0006801900000000 ] - [ -0.0004306600000000, 0.0010705000000000, 0.0004075900000000 ] - [ 0.0009572800000000, -0.0008275900000000, 0.0001076700000000 ] - [ -0.0005940500000000, -0.0001042500000000, 0.0001126200000000 ] - [ 0.0000531000000000, 0.0002874900000000, 0.0002785000000000 ] - [ -0.0001093200000000, -0.0003261800000000, 0.0010259000000000 ] - [ -0.0002081700000000, -0.0000976200000000, -0.0000347600000000 ] - [ 0.0009437300000000, -0.0008293100000000, 0.0001389600000000 ] - [ 0.0004344800000000, 0.0002562500000000, -0.0006065600000000 ] - [ -0.0005314500000000, 0.0006828700000000, 0.0028970400000000 ] - [ -0.0003082300000000, -0.0015341900000000, -0.0002607000000000 ] - [ -0.0001001900000000, 0.0032905200000000, -0.0014320700000000 ] - [ 0.0001125000000000, -0.0003876200000000, 0.0002616400000000 ] - [ -0.0002350800000000, -0.0003470300000000, -0.0005554800000000 ] - [ 0.0000403000000000, 0.0001742700000000, -0.0003178200000000 ] - [ 0.0000941500000000, -0.0002302600000000, -0.0001718300000000 ] - [ 0.0020486800000000, 0.0024142600000000, 0.0000444600000000 ] - [ 0.0002101300000000, -0.0003037400000000, 0.0000867200000000 ] - [ -0.0000140900000000, 0.0000752000000000, -0.0000266500000000 ] - [ 0.0002911400000000, 0.0000230800000000, -0.0020557900000000 ] - [ -0.0000079300000000, 0.0004333600000000, 0.0001015400000000 ] - [ -0.0002391600000000, -0.0003898200000000, 0.0000446800000000 ] - [ 0.0001379000000000, 0.0000866700000000, -0.0003613200000000 ] - [ 0.0001463200000000, -0.0001410000000000, -0.0000980100000000 ] - [ -0.0016260900000000, 0.0004353400000000, -0.0022626700000000 ] - [ 0.0000012700000000, 0.0003238700000000, -0.0003002300000000 ] - [ -0.0028877400000000, 0.0048017200000000, 0.0048475500000000 ] - [ 0.0003163600000000, 0.0004218900000000, 0.0000098500000000 ] - [ 0.0009507400000000, 0.0002699200000000, 0.0009933000000000 ] - [ 0.0068954400000000, 0.0012699300000000, -0.0004978900000000 ] - [ 0.0006263600000000, -0.0002350200000000, 0.0001663100000000 ] - [ 0.0020143000000000, -0.0003837200000000, 0.0024507800000000 ] - [ -0.0000120100000000, 0.0000910500000000, -0.0001486800000000 ] - [ 0.0004409600000000, 0.0025958800000000, -0.0027123100000000 ] - [ 0.0000679900000000, -0.0001703900000000, -0.0000489300000000 ] - [ -0.1624826000000000, 0.0793727900000000, 0.0137396300000000 ] - [ 0.0001221000000000, -0.0001905400000000, 0.0001187100000000 ] - [ -0.0003292100000000, 0.0004493100000000, -0.0000073100000000 ] - [ -0.0072854800000000, 0.0003902100000000, -0.0007788000000000 ] - [ 0.0018782100000000, -0.0009805600000000, -0.0047049000000000 ] - [ -0.0005963700000000, -0.0004424200000000, 0.0003716300000000 ] - [ -0.0103376700000000, 0.0000436000000000, 0.0015027300000000 ] - [ 0.0003851000000000, -0.0002696800000000, 0.0002276400000000 ] - [ 0.0003014000000000, -0.0000186100000000, 0.0000128100000000 ] - [ -0.0016621500000000, 0.0005271500000000, -0.0000457000000000 ] - [ 0.0003537200000000, -0.0000952900000000, 0.0002704600000000 ] - [ -0.0004511500000000, -0.0001572600000000, -0.0013487500000000 ] - [ 0.0002245700000000, -0.0002185200000000, -0.0002976900000000 ] - [ -0.0007377600000000, 0.0002493300000000, 0.0001071300000000 ] - [ 0.2702254200000000, -0.0930795900000000, -0.0206366000000000 ] - [ -0.0004307200000000, 0.0002106500000000, 0.0004420800000000 ] - [ 0.0002934000000000, 0.0000358200000000, 0.0002901100000000 ] - [ 0.0000237400000000, 0.0003447600000000, 0.0004404200000000 ] - [ -0.0044225600000000, -0.0025680300000000, -0.0001556500000000 ] - [ 0.0004068400000000, 0.0002358300000000, 0.0000886000000000 ] - [ 0.0026901100000000, -0.0078099500000000, -0.0018497900000000 ] - [ -0.0019027900000000, 0.0003648500000000, -0.0000617700000000 ] - [ 0.0040103500000000, 0.0029153400000000, 0.0000108000000000 ] - [ 0.0000506200000000, -0.0000310800000000, -0.0006584100000000 ] - [ 0.0011548500000000, -0.0021998000000000, 0.0034831300000000 ] - [ -0.0000131400000000, -0.0002238900000000, 0.0001350900000000 ] - [ -0.0004179200000000, 0.0002147500000000, 0.0001693900000000 ] - [ 0.0001321100000000, -0.0006204700000000, -0.0001657900000000 ] - [ -0.0004346500000000, 0.0000975500000000, -0.0000318700000000 ] - [ -0.0010346900000000, -0.0002470400000000, -0.0004324900000000 ] - [ 0.0001394600000000, 0.0001629300000000, -0.0016019100000000 ] - [ 0.0013141300000000, -0.0004084300000000, -0.0008090400000000 ] - [ 0.0004385600000000, 0.0004574900000000, 0.0015831700000000 ] - [ 0.0003749300000000, -0.0041611800000000, 0.0069670800000000 ] - [ 0.0027140900000000, -0.0018008400000000, -0.0001194600000000 ] - [ 0.0000864000000000, 0.0001112300000000, -0.0002508000000000 ] - [ 0.0000562300000000, -0.0002053800000000, 0.0005031100000000 ] - [ -0.0003396800000000, -0.0003796300000000, 0.0001586300000000 ] - [ 0.0001289800000000, 0.0014906200000000, 0.0015097600000000 ] - [ -0.0005000200000000, 0.0006850200000000, 0.0005729100000000 ] - [ 0.0001518800000000, -0.0001500700000000, 0.0001033200000000 ] - [ -0.0000230000000000, -0.0002338900000000, -0.0002535000000000 ] - [ -0.0000938900000000, 0.0000276800000000, 0.0001260000000000 ] - [ -0.0001473700000000, 0.0002657300000000, -0.0000216300000000 ] - [ -0.0002497200000000, -0.0002183100000000, -0.0000446800000000 ] - [ 0.0105410500000000, 0.0219562700000000, 0.0011886200000000 ] - [ -0.0684578100000000, 0.0233859400000000, 0.0082299700000000 ] - [ -0.0002093100000000, -0.0004053400000000, 0.0003077800000000 ] - [ -0.0000429800000000, -0.0000740600000000, -0.0001171800000000 ] - [ -0.0059639600000000, -0.0009934900000000, 0.0012498900000000 ] - [ 0.0001391300000000, 0.0004992700000000, 0.0000309200000000 ] - [ -0.0002535300000000, 0.0017933600000000, 0.0002917100000000 ] - [ -0.0013402900000000, 0.0013996900000000, -0.0004956800000000 ] - [ -0.0013131700000000, 0.0011018200000000, -0.0037096600000000 ] - [ -0.0003783900000000, -0.0003634700000000, 0.0000980200000000 ] - [ -0.0001037700000000, -0.0002494500000000, -0.0000696100000000 ] - [ 0.0000774400000000, 0.0006644600000000, -0.0000203000000000 ] - [ 0.0011718500000000, -0.0012171300000000, 0.0003449500000000 ] - [ -0.0000753400000000, 0.0004439400000000, -0.0001722300000000 ] - [ 0.0006345600000000, -0.0001534300000000, -0.0001414200000000 ] - [ 0.0001058900000000, -0.0001442800000000, 0.0000966600000000 ] - [ 0.0000047900000000, 0.0005600100000000, -0.0002054400000000 ] - [ -0.0004380500000000, -0.0000618400000000, 0.0000041300000000 ] - [ -0.0000990300000000, -0.0004424700000000, 0.0004916100000000 ] - [ -0.0002042900000000, 0.0001184200000000, -0.0000212800000000 ] - [ 0.0000990900000000, 0.0001553000000000, -0.0004510800000000 ] - [ 0.0001365500000000, 0.0001988500000000, 0.0002371400000000 ] - [ -0.0001478800000000, 0.0005424900000000, 0.0001848200000000 ] - [ -0.0006943000000000, 0.0008860100000000, -0.0009871700000000 ] - [ -0.0000406900000000, -0.0000695200000000, 0.0002200400000000 ] - [ -0.0004587900000000, -0.0003394400000000, 0.0003060500000000 ] - [ -0.0002707100000000, -0.0004732800000000, -0.0000240400000000 ] - [ -0.0000806800000000, -0.0012575000000000, -0.0025389900000000 ] - [ -0.0017343900000000, -0.0052971100000000, -0.0079072900000000 ] - [ -0.0002787400000000, 0.0001032400000000, 0.0000571000000000 ] - [ -0.0016739100000000, 0.0008959100000000, 0.0015851900000000 ] - [ -0.0006086300000000, -0.0005038000000000, 0.0002777500000000 ] - [ -0.0002165800000000, -0.0003088200000000, 0.0003893400000000 ] - [ -0.0022126900000000, -0.0008629400000000, -0.0000492400000000 ] - [ 0.0001654300000000, -0.0004757300000000, 0.0001545900000000 ] - [ 0.0000692400000000, -0.0001584200000000, 0.0002514600000000 ] - [ 0.0001594100000000, -0.0002799100000000, -0.0002848800000000 ] - [ 0.0001145200000000, -0.0001320200000000, -0.0001614900000000 ] - [ -0.0001239200000000, -0.0001066300000000, -0.0003208800000000 ] - [ 0.0000497400000000, 0.0004529500000000, 0.0001984100000000 ] - [ -0.0003658900000000, -0.0000344700000000, -0.0000952300000000 ] - [ 0.0003799000000000, 0.0000208600000000, -0.0003995700000000 ] - [ 0.0001829800000000, -0.0001602600000000, -0.0000355000000000 ] - [ -0.0000278200000000, 0.0000688800000000, 0.0004058100000000 ] - [ -0.0002714100000000, -0.0002451900000000, 0.0024795700000000 ] - [ 0.0000533300000000, 0.0020345300000000, -0.0003175200000000 ] - [ 0.0001303800000000, -0.0000385400000000, 0.0001763800000000 ] - [ 0.0004041400000000, -0.0002293300000000, -0.0002230600000000 ] - [ -0.0016314900000000, -0.0031125200000000, 0.0004467000000000 ] - [ 0.0015809100000000, -0.0007848300000000, 0.0005950700000000 ] - [ -0.0001158600000000, 0.0001330700000000, -0.0000376300000000 ] - [ 0.0000349300000000, -0.0006917000000000, 0.0020719600000000 ] - [ 0.0002580700000000, -0.0004077700000000, 0.0000000700000000 ] - [ -0.0004378500000000, -0.0015721500000000, 0.0005840500000000 ]- atom: 92 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000091900000000, -0.0010278100000000, 0.0002419800000000 ] - [ 0.0000265700000000, 0.0015679200000000, -0.0007649100000000 ] - [ -0.0000031200000000, -0.0001310200000000, 0.0003962700000000 ] - [ 0.0000666900000000, -0.0009854000000000, 0.0001986800000000 ] - [ 0.0000737300000000, 0.0013483200000000, 0.0000812200000000 ] - [ -0.0004065200000000, 0.0034167900000000, -0.0011278400000000 ] - [ -0.0001374000000000, 0.0009067300000000, 0.0001847700000000 ] - [ 0.0004043800000000, -0.0011084500000000, -0.0005465500000000 ] - [ -0.0000033800000000, -0.0007761000000000, -0.0001215000000000 ] - [ -0.0005109000000000, 0.0016604400000000, 0.0000330600000000 ] - [ 0.0000497200000000, -0.0003869700000000, 0.0001918000000000 ] - [ -0.0001235500000000, -0.0012551000000000, 0.0000031600000000 ] - [ 0.0005894600000000, -0.0005110000000000, -0.0002913700000000 ] - [ 0.0001574600000000, -0.0008018600000000, -0.0001108200000000 ] - [ -0.0001211900000000, 0.0011132000000000, -0.0002102700000000 ] - [ -0.0003195800000000, -0.0002100300000000, 0.0002599000000000 ] - [ 0.0012505800000000, 0.0018023600000000, -0.0007221600000000 ] - [ -0.0006289100000000, -0.0002893800000000, -0.0003668200000000 ] - [ -0.0008415600000000, -0.0001537600000000, -0.0005944400000000 ] - [ 0.0001028400000000, -0.0004161900000000, -0.0001004500000000 ] - [ 0.0001912900000000, -0.0015204000000000, 0.0021078800000000 ] - [ -0.0004880700000000, 0.0021761400000000, -0.0001521600000000 ] - [ -0.0001873600000000, -0.0004599100000000, 0.0003450100000000 ] - [ 0.0001428900000000, -0.0006670000000000, 0.0002463200000000 ] - [ 0.0004286900000000, -0.0038098400000000, 0.0008691000000000 ] - [ 0.0000942700000000, -0.0029375700000000, 0.0002035400000000 ] - [ -0.0006287600000000, -0.0055495300000000, 0.0028653000000000 ] - [ -0.0008856000000000, 0.0044159800000000, -0.0008992900000000 ] - [ -0.0000490600000000, 0.0020646500000000, -0.0003439900000000 ] - [ -0.0004966100000000, -0.0031072800000000, -0.0006574800000000 ] - [ 0.0078373300000000, 0.0015348800000000, 0.0010636400000000 ] - [ 0.0007982100000000, 0.0279864600000000, 0.0003062300000000 ] - [ -0.0002688100000000, -0.0003360100000000, 0.0013455200000000 ] - [ -0.0001811600000000, 0.0020715800000000, -0.0008420700000000 ] - [ -0.0000678900000000, -0.0015270700000000, -0.0004289500000000 ] - [ 0.0000641200000000, -0.0012954200000000, -0.0005154100000000 ] - [ 0.0008379000000000, -0.0006805800000000, -0.0010923100000000 ] - [ -0.0005787700000000, -0.0019140600000000, 0.0012972100000000 ] - [ 0.0013225400000000, 0.0207156100000000, 0.0025543000000000 ] - [ -0.0002380600000000, -0.0098029300000000, -0.0070878100000000 ] - [ 0.0001293100000000, -0.0028888300000000, 0.0001676000000000 ] - [ 0.0003418500000000, -0.0014091000000000, 0.0005521400000000 ] - [ 0.0001695600000000, 0.0012439500000000, 0.0007560600000000 ] - [ -0.0007990200000000, -0.0008890400000000, -0.0015246300000000 ] - [ 0.0004843000000000, -0.0014876800000000, -0.0011782700000000 ] - [ 0.0007900500000000, -0.0000811500000000, 0.0010412200000000 ] - [ -0.0000414700000000, -0.0013277700000000, 0.0002048000000000 ] - [ 0.0001368900000000, 0.0010080200000000, -0.0007282300000000 ] - [ -0.0000334100000000, -0.0013961100000000, 0.0000373900000000 ] - [ 0.0019977600000000, -0.0017176400000000, 0.0001779400000000 ] - [ -0.0008356100000000, -0.0009594500000000, 0.0003275500000000 ] - [ 0.0002954000000000, -0.0010398500000000, -0.0057713700000000 ] - [ 0.0063193800000000, -0.0029139400000000, -0.0025333900000000 ] - [ -0.0012623600000000, -0.0036598300000000, 0.0020034600000000 ] - [ 0.0002016300000000, 0.0012725300000000, 0.0001448400000000 ] - [ 0.0007857300000000, -0.0017809200000000, -0.0015015200000000 ] - [ 0.0000749100000000, 0.0018753100000000, -0.0001561700000000 ] - [ 0.0002135900000000, -0.0002431900000000, -0.0002309900000000 ] - [ -0.0028890800000000, -0.0016874900000000, -0.0002954900000000 ] - [ -0.0000680300000000, -0.0020603600000000, 0.0001157400000000 ] - [ 0.0001499200000000, -0.0003941800000000, -0.0009614100000000 ] - [ 0.0019840100000000, 0.0017162600000000, -0.0017582700000000 ] - [ -0.0000820300000000, -0.0009241400000000, 0.0000963200000000 ] - [ -0.0002785400000000, -0.0007389100000000, 0.0001788600000000 ] - [ -0.0006151800000000, -0.0004704800000000, -0.0004306500000000 ] - [ 0.0009636200000000, -0.0016415100000000, 0.0000997600000000 ] - [ 0.0007908700000000, 0.0008485200000000, 0.0056462600000000 ] - [ -0.0002715800000000, -0.0003213500000000, -0.0001369300000000 ] - [ -0.0009699900000000, -0.0002359300000000, -0.0021222100000000 ] - [ -0.0001577000000000, -0.0007257500000000, 0.0004909400000000 ] - [ 0.0006505700000000, 0.0004111800000000, 0.0008823100000000 ] - [ -0.0003834600000000, 0.0050187600000000, -0.0003140400000000 ] - [ 0.0005229000000000, 0.0006292600000000, -0.0006561600000000 ] - [ 0.0002763400000000, 0.0004743500000000, 0.0023849200000000 ] - [ 0.0008292700000000, -0.0005344000000000, 0.0000226600000000 ] - [ -0.0000168100000000, -0.0015410300000000, 0.0023968200000000 ] - [ -0.0000275500000000, 0.0001167800000000, -0.0000878000000000 ] - [ -0.0787623400000000, 0.1329376100000000, 0.0118547100000000 ] - [ -0.0000071700000000, -0.0009740100000000, 0.0000365400000000 ] - [ -0.0004398400000000, -0.0021579100000000, -0.0001947000000000 ] - [ -0.0000832300000000, -0.0029993300000000, -0.0000654300000000 ] - [ 0.0007148900000000, 0.0018485200000000, 0.0098383900000000 ] - [ -0.0000339500000000, 0.0005903900000000, -0.0001499100000000 ] - [ 0.0000348300000000, -0.0064392000000000, -0.0000464100000000 ] - [ 0.0001182900000000, 0.0025266500000000, 0.0006862700000000 ] - [ 0.0000007800000000, 0.0004873400000000, -0.0002697500000000 ] - [ 0.0002646700000000, -0.0001410900000000, -0.0009787800000000 ] - [ 0.0000611300000000, 0.0016666300000000, 0.0012544800000000 ] - [ -0.0001815000000000, -0.0009304100000000, -0.0011073600000000 ] - [ 0.0003354600000000, -0.0017199100000000, 0.0001840900000000 ] - [ 0.0001116700000000, -0.0006182700000000, 0.0007088000000000 ] - [ 0.0939988500000000, -0.2312322900000000, -0.0150018900000000 ] - [ -0.0000775000000000, 0.0007990200000000, 0.0006736300000000 ] - [ -0.0000166600000000, 0.0007604500000000, -0.0002519700000000 ] - [ -0.0018029400000000, 0.0026237000000000, 0.0013486200000000 ] - [ 0.0086328100000000, -0.0012824100000000, -0.0008356300000000 ] - [ 0.0003168700000000, 0.0025913500000000, 0.0002045400000000 ] - [ 0.0011584500000000, 0.0053239000000000, 0.0005895200000000 ] - [ -0.0006911300000000, -0.0007508700000000, -0.0001257700000000 ] - [ -0.0041352000000000, 0.0098909800000000, -0.0003473900000000 ] - [ 0.0000043700000000, 0.0005440900000000, 0.0001350200000000 ] - [ 0.0015361400000000, 0.0027299400000000, -0.0076523900000000 ] - [ 0.0004071500000000, 0.0008306100000000, -0.0001333000000000 ] - [ -0.0007422900000000, 0.0013930700000000, 0.0001316400000000 ] - [ 0.0002285400000000, 0.0005888900000000, -0.0001157900000000 ] - [ -0.0005268600000000, 0.0007710700000000, 0.0005507500000000 ] - [ -0.0005466700000000, -0.0005997000000000, -0.0004695600000000 ] - [ 0.0011751100000000, -0.0005526100000000, 0.0023771000000000 ] - [ -0.0010035300000000, 0.0009325200000000, 0.0020526700000000 ] - [ 0.0000751400000000, -0.0015901100000000, -0.0020961700000000 ] - [ 0.0013604000000000, -0.0008730400000000, -0.0057735200000000 ] - [ 0.0013719700000000, 0.0001006500000000, 0.0023376100000000 ] - [ 0.0002943100000000, 0.0011333400000000, -0.0006605800000000 ] - [ -0.0000832200000000, 0.0011276800000000, 0.0001441400000000 ] - [ -0.0001488700000000, 0.0005935100000000, 0.0007433100000000 ] - [ -0.0028845400000000, -0.0001056500000000, 0.0027302800000000 ] - [ -0.0005052200000000, 0.0002430900000000, 0.0008450300000000 ] - [ 0.0003030500000000, 0.0012009800000000, 0.0004018700000000 ] - [ -0.0003037700000000, -0.0019179100000000, -0.0001884000000000 ] - [ -0.0000589500000000, 0.0016682900000000, 0.0001002600000000 ] - [ -0.0002096000000000, 0.0021409800000000, -0.0000235300000000 ] - [ 0.0000467000000000, -0.0000950600000000, 0.0003244000000000 ] - [ -0.0279420500000000, 0.0565427400000000, 0.0052645200000000 ] - [ -0.0102512600000000, -0.0189394700000000, -0.0000613100000000 ] - [ -0.0001968400000000, -0.0006784400000000, -0.0001067900000000 ] - [ -0.0000072400000000, 0.0005837900000000, 0.0001136400000000 ] - [ 0.0055629900000000, -0.0018030000000000, -0.0020412100000000 ] - [ -0.0005407200000000, 0.0020392900000000, 0.0003402300000000 ] - [ -0.0026575400000000, 0.0000978600000000, 0.0006661700000000 ] - [ -0.0002527900000000, 0.0011444600000000, -0.0002055100000000 ] - [ -0.0015082400000000, -0.0007619200000000, -0.0025176700000000 ] - [ 0.0003519600000000, 0.0005228400000000, 0.0003223200000000 ] - [ -0.0001342200000000, 0.0008839100000000, -0.0000609900000000 ] - [ 0.0000233500000000, 0.0006231600000000, -0.0000228300000000 ] - [ -0.0011691500000000, 0.0026750800000000, -0.0007019300000000 ] - [ 0.0000562800000000, 0.0022914100000000, -0.0002583500000000 ] - [ 0.0005126600000000, -0.0003809700000000, 0.0003253100000000 ] - [ 0.0004811100000000, 0.0007621300000000, -0.0009438100000000 ] - [ 0.0000654600000000, 0.0001199300000000, -0.0001158900000000 ] - [ -0.0003341300000000, 0.0004433200000000, -0.0000171000000000 ] - [ -0.0000540100000000, -0.0020687200000000, 0.0001902700000000 ] - [ 0.0000059600000000, 0.0007193400000000, 0.0002839700000000 ] - [ -0.0002291000000000, -0.0010944100000000, -0.0007204900000000 ] - [ -0.0012946900000000, 0.0015385000000000, -0.0005647300000000 ] - [ -0.0001076700000000, 0.0012375700000000, 0.0001698800000000 ] - [ -0.0005885600000000, 0.0003572600000000, -0.0008088300000000 ] - [ -0.0000603200000000, 0.0009356800000000, 0.0002106300000000 ] - [ -0.0006392100000000, -0.0003018600000000, -0.0000365900000000 ] - [ -0.0002219000000000, 0.0005185600000000, -0.0000481500000000 ] - [ 0.0009250900000000, -0.0001333800000000, 0.0021307100000000 ] - [ 0.0022854400000000, -0.0011527200000000, 0.0042766300000000 ] - [ -0.0000630300000000, -0.0009709200000000, 0.0003418900000000 ] - [ -0.0006511300000000, -0.0012470400000000, 0.0005533300000000 ] - [ 0.0018618800000000, 0.0022163400000000, -0.0007659200000000 ] - [ 0.0010928000000000, 0.0014961100000000, -0.0008267700000000 ] - [ 0.0016484600000000, 0.0015050000000000, 0.0004869700000000 ] - [ -0.0000103100000000, 0.0007485700000000, 0.0001158100000000 ] - [ 0.0005308400000000, 0.0007835500000000, -0.0000357600000000 ] - [ -0.0000657600000000, 0.0009183700000000, -0.0001427800000000 ] - [ 0.0002844000000000, 0.0003146000000000, 0.0000328600000000 ] - [ 0.0001239100000000, 0.0006388800000000, -0.0002377200000000 ] - [ -0.0001361700000000, 0.0009279800000000, 0.0005792600000000 ] - [ 0.0000635100000000, 0.0019427800000000, -0.0000725900000000 ] - [ 0.0001026700000000, 0.0008656500000000, -0.0005945200000000 ] - [ -0.0004056100000000, 0.0008283400000000, -0.0002725100000000 ] - [ -0.0004190200000000, 0.0012696200000000, 0.0012586600000000 ] - [ -0.0004489900000000, -0.0010877800000000, 0.0023945900000000 ] - [ -0.0028392700000000, 0.0031991400000000, -0.0007017000000000 ] - [ -0.0000803400000000, -0.0016325700000000, 0.0001980200000000 ] - [ 0.0003536100000000, 0.0001204000000000, -0.0001592100000000 ] - [ 0.0019119600000000, 0.0043114600000000, -0.0002690300000000 ] - [ -0.0007330300000000, 0.0007146400000000, -0.0021452100000000 ] - [ -0.0001662900000000, -0.0010756400000000, -0.0000248000000000 ] - [ -0.0006492700000000, -0.0000167000000000, -0.0021965000000000 ] - [ 0.0001020300000000, 0.0000789100000000, -0.0002052600000000 ] - [ 0.0005472100000000, 0.0006976300000000, -0.0012970000000000 ]- atom: 92 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001803000000000, 0.0008101600000000, -0.0000571300000000 ] - [ -0.0001526700000000, -0.0011299500000000, 0.0007001100000000 ] - [ 0.0006172000000000, 0.0001224900000000, -0.0005402800000000 ] - [ 0.0000256000000000, 0.0003183000000000, 0.0000818800000000 ] - [ -0.0001621600000000, -0.0020079100000000, -0.0003492700000000 ] - [ 0.0001337300000000, -0.0035654000000000, 0.0008565300000000 ] - [ -0.0000528200000000, -0.0006917900000000, -0.0003693100000000 ] - [ 0.0004634700000000, 0.0014367000000000, 0.0007578100000000 ] - [ 0.0000621300000000, 0.0006695600000000, 0.0000067200000000 ] - [ 0.0004528500000000, -0.0015451900000000, 0.0000848700000000 ] - [ 0.0000418600000000, 0.0010485600000000, 0.0000870400000000 ] - [ 0.0002522400000000, 0.0008117000000000, 0.0000526900000000 ] - [ 0.0002773800000000, 0.0001720700000000, 0.0005088300000000 ] - [ -0.0000992600000000, 0.0009020400000000, -0.0000021600000000 ] - [ 0.0000609500000000, -0.0012134900000000, 0.0003200200000000 ] - [ -0.0002968800000000, 0.0001971700000000, -0.0001132500000000 ] - [ -0.0014065400000000, -0.0021945000000000, 0.0007218500000000 ] - [ -0.0002400000000000, -0.0000460200000000, 0.0001474400000000 ] - [ -0.0000256700000000, 0.0004850400000000, 0.0003791300000000 ] - [ 0.0000254200000000, 0.0008535500000000, 0.0001546100000000 ] - [ 0.0004274100000000, 0.0015256500000000, -0.0022612700000000 ] - [ 0.0004027100000000, -0.0014940800000000, -0.0001388600000000 ] - [ -0.0004290100000000, 0.0004697700000000, -0.0001960000000000 ] - [ 0.0000466900000000, 0.0008781800000000, -0.0000590500000000 ] - [ 0.0000945000000000, 0.0034822300000000, 0.0000484900000000 ] - [ -0.0000246200000000, 0.0024540800000000, 0.0000853100000000 ] - [ 0.0002541100000000, 0.0044963300000000, -0.0021747600000000 ] - [ 0.0003456900000000, -0.0046955500000000, -0.0000175000000000 ] - [ -0.0000210500000000, -0.0015879100000000, 0.0000566300000000 ] - [ 0.0006781600000000, 0.0034063000000000, -0.0002166400000000 ] - [ -0.0080195900000000, -0.0013323800000000, -0.0001798300000000 ] - [ -0.0015809900000000, -0.0286417300000000, -0.0001463300000000 ] - [ -0.0001035300000000, 0.0013505800000000, -0.0006786100000000 ] - [ -0.0003426100000000, -0.0017481300000000, -0.0000801000000000 ] - [ -0.0000492500000000, 0.0011459800000000, 0.0003423700000000 ] - [ 0.0001217200000000, 0.0009743900000000, -0.0003564500000000 ] - [ -0.0004362600000000, 0.0008655500000000, 0.0010017000000000 ] - [ 0.0009493200000000, 0.0008848500000000, -0.0019671200000000 ] - [ -0.0005205900000000, -0.0201279000000000, -0.0026678000000000 ] - [ 0.0006502100000000, 0.0096366800000000, 0.0070346200000000 ] - [ -0.0002440100000000, 0.0032499100000000, -0.0002543100000000 ] - [ 0.0001818200000000, 0.0017238800000000, 0.0003689700000000 ] - [ -0.0000522200000000, -0.0016091200000000, -0.0006695500000000 ] - [ 0.0004015300000000, 0.0010596400000000, 0.0016097200000000 ] - [ -0.0008800600000000, 0.0013037100000000, 0.0012558700000000 ] - [ -0.0004124800000000, 0.0011112900000000, -0.0016997100000000 ] - [ 0.0001110000000000, 0.0017961700000000, 0.0000838200000000 ] - [ -0.0003220200000000, -0.0013132300000000, 0.0015912000000000 ] - [ -0.0002824100000000, 0.0009141200000000, -0.0000908000000000 ] - [ -0.0019346600000000, 0.0021055200000000, -0.0000091700000000 ] - [ 0.0012826300000000, 0.0010246800000000, -0.0010159200000000 ] - [ -0.0000019700000000, 0.0008992800000000, 0.0062823800000000 ] - [ -0.0058471900000000, 0.0035623000000000, 0.0022767200000000 ] - [ 0.0008435700000000, 0.0043142900000000, -0.0017593300000000 ] - [ 0.0001143700000000, -0.0017414100000000, -0.0000913600000000 ] - [ -0.0004839400000000, 0.0009990900000000, 0.0010481100000000 ] - [ -0.0000422600000000, -0.0012549400000000, -0.0000605300000000 ] - [ 0.0002063000000000, -0.0004237200000000, -0.0000068800000000 ] - [ 0.0027937400000000, 0.0020639800000000, 0.0001261900000000 ] - [ 0.0000359900000000, 0.0014410000000000, 0.0001004800000000 ] - [ -0.0004433700000000, 0.0005252300000000, 0.0004130300000000 ] - [ -0.0016998800000000, -0.0015925100000000, 0.0022909400000000 ] - [ 0.0000489300000000, 0.0015316000000000, 0.0001202300000000 ] - [ -0.0001416800000000, 0.0000771700000000, 0.0000610800000000 ] - [ 0.0003208200000000, 0.0003357800000000, -0.0001125600000000 ] - [ -0.0007070300000000, 0.0013770200000000, -0.0002380600000000 ] - [ -0.0010389400000000, -0.0005730300000000, -0.0054709200000000 ] - [ 0.0005710800000000, 0.0011003600000000, -0.0003207300000000 ] - [ 0.0006853100000000, 0.0009896900000000, 0.0025480300000000 ] - [ 0.0004088400000000, 0.0009804800000000, -0.0006328900000000 ] - [ -0.0010973700000000, -0.0004781700000000, -0.0001887500000000 ] - [ 0.0007015100000000, -0.0045823800000000, 0.0003707400000000 ] - [ -0.0008217500000000, -0.0014039900000000, 0.0011054400000000 ] - [ -0.0007169600000000, -0.0004064300000000, -0.0016815900000000 ] - [ -0.0003754500000000, 0.0004610800000000, -0.0007200500000000 ] - [ -0.0002432500000000, 0.0012536300000000, -0.0022335900000000 ] - [ -0.0000429000000000, -0.0005168500000000, -0.0000810600000000 ] - [ 0.0851796700000000, -0.1375351500000000, -0.0129190700000000 ] - [ 0.0000776900000000, 0.0005764100000000, 0.0001313800000000 ] - [ 0.0001211900000000, 0.0026245500000000, 0.0001401900000000 ] - [ 0.0005424500000000, 0.0038073000000000, 0.0001242900000000 ] - [ -0.0008509500000000, -0.0018775400000000, -0.0089306800000000 ] - [ -0.0005159700000000, -0.0007568900000000, 0.0006237800000000 ] - [ -0.0002761500000000, 0.0072262400000000, -0.0002013200000000 ] - [ -0.0000504700000000, -0.0026389400000000, -0.0000217100000000 ] - [ 0.0004864700000000, -0.0004147000000000, 0.0004866000000000 ] - [ 0.0002183000000000, 0.0000366000000000, 0.0007256700000000 ] - [ -0.0006285600000000, -0.0015810100000000, -0.0014684800000000 ] - [ -0.0002128300000000, 0.0008600400000000, 0.0015169100000000 ] - [ 0.0001384200000000, 0.0009105800000000, -0.0001170200000000 ] - [ 0.0001174100000000, 0.0007491300000000, -0.0004250100000000 ] - [ -0.1007311000000000, 0.2369679100000000, 0.0160292900000000 ] - [ -0.0004050600000000, -0.0002865600000000, 0.0001598800000000 ] - [ 0.0005842900000000, -0.0007865000000000, 0.0008191200000000 ] - [ 0.0016367000000000, -0.0037880300000000, -0.0010002500000000 ] - [ -0.0083068700000000, 0.0001419900000000, 0.0004575300000000 ] - [ -0.0000493300000000, -0.0018046800000000, 0.0000397300000000 ] - [ -0.0010110100000000, -0.0064778300000000, -0.0009223700000000 ] - [ 0.0002996500000000, 0.0008093800000000, 0.0005377100000000 ] - [ 0.0037015000000000, -0.0089037400000000, 0.0002798300000000 ] - [ 0.0001269800000000, -0.0005237400000000, -0.0009615900000000 ] - [ -0.0020951600000000, -0.0026978900000000, 0.0070132600000000 ] - [ 0.0001630400000000, -0.0007999100000000, 0.0007051800000000 ] - [ 0.0005259400000000, -0.0025180200000000, 0.0002366500000000 ] - [ 0.0000471400000000, -0.0016703800000000, -0.0002321400000000 ] - [ 0.0002888100000000, -0.0006792700000000, -0.0003530700000000 ] - [ 0.0000584900000000, 0.0006657600000000, 0.0002560200000000 ] - [ -0.0006861000000000, 0.0010560600000000, -0.0031946300000000 ] - [ 0.0012326900000000, -0.0010183800000000, -0.0022358100000000 ] - [ -0.0004064900000000, 0.0021118600000000, 0.0026717000000000 ] - [ -0.0016703100000000, 0.0003772900000000, 0.0063222500000000 ] - [ -0.0008174900000000, -0.0001730200000000, -0.0021322800000000 ] - [ 0.0000377500000000, -0.0005910600000000, 0.0000762600000000 ] - [ 0.0001511600000000, -0.0009986000000000, 0.0005182700000000 ] - [ -0.0003315800000000, -0.0011013600000000, 0.0000956300000000 ] - [ 0.0031326600000000, 0.0002065900000000, -0.0029296500000000 ] - [ 0.0010700100000000, -0.0001578700000000, -0.0006364800000000 ] - [ 0.0000221000000000, -0.0010585600000000, -0.0000690600000000 ] - [ 0.0000330600000000, 0.0011328200000000, -0.0000535900000000 ] - [ 0.0003834600000000, -0.0018039000000000, 0.0002317600000000 ] - [ -0.0002626700000000, -0.0013326300000000, -0.0000415600000000 ] - [ -0.0003213900000000, -0.0001421700000000, 0.0000074900000000 ] - [ 0.0282569800000000, -0.0577672400000000, -0.0056938000000000 ] - [ 0.0099284700000000, 0.0194823100000000, 0.0002186200000000 ] - [ -0.0001890100000000, -0.0001861100000000, 0.0000470500000000 ] - [ -0.0002232700000000, -0.0007203300000000, -0.0003939500000000 ] - [ -0.0056944300000000, 0.0016869200000000, 0.0013973200000000 ] - [ 0.0003120100000000, -0.0019030500000000, -0.0006238600000000 ] - [ 0.0035797600000000, 0.0000352200000000, -0.0005419000000000 ] - [ 0.0012192300000000, -0.0005451700000000, 0.0000724300000000 ] - [ 0.0010158700000000, 0.0007015100000000, 0.0022847200000000 ] - [ -0.0005856100000000, -0.0006081700000000, -0.0001296300000000 ] - [ -0.0000836900000000, -0.0012120100000000, -0.0000562200000000 ] - [ 0.0001281300000000, 0.0005512600000000, -0.0003156900000000 ] - [ 0.0002211600000000, -0.0025293300000000, 0.0005778900000000 ] - [ 0.0002223300000000, -0.0011986600000000, -0.0000903700000000 ] - [ 0.0004298800000000, 0.0002392700000000, -0.0002013000000000 ] - [ -0.0000863300000000, -0.0008255800000000, 0.0005214400000000 ] - [ 0.0001533600000000, 0.0010106800000000, -0.0002519600000000 ] - [ -0.0006053600000000, -0.0005837200000000, -0.0001057700000000 ] - [ -0.0002242800000000, 0.0009744300000000, 0.0001586100000000 ] - [ -0.0005699300000000, -0.0008065900000000, -0.0004883600000000 ] - [ 0.0001597300000000, 0.0012106100000000, 0.0000560200000000 ] - [ 0.0007358200000000, -0.0013621000000000, 0.0010317400000000 ] - [ -0.0001114800000000, -0.0001118400000000, 0.0001980700000000 ] - [ 0.0010746400000000, -0.0002560300000000, 0.0005577100000000 ] - [ -0.0001727800000000, -0.0010670100000000, 0.0002175700000000 ] - [ -0.0003276900000000, -0.0002837200000000, 0.0001682500000000 ] - [ -0.0002503100000000, -0.0013186600000000, -0.0000170100000000 ] - [ -0.0006980300000000, 0.0000024100000000, -0.0018331200000000 ] - [ -0.0020336100000000, 0.0010674400000000, -0.0046762900000000 ] - [ 0.0002939100000000, 0.0010957000000000, -0.0007626100000000 ] - [ 0.0011317100000000, 0.0007476700000000, -0.0013760400000000 ] - [ -0.0014734900000000, -0.0013470800000000, 0.0008254300000000 ] - [ -0.0015754100000000, -0.0015970400000000, 0.0010734400000000 ] - [ -0.0019109500000000, -0.0012583800000000, -0.0001536700000000 ] - [ 0.0002786400000000, -0.0015237500000000, 0.0001269500000000 ] - [ -0.0000387800000000, -0.0008509600000000, 0.0002524800000000 ] - [ 0.0003960900000000, -0.0014553200000000, -0.0004423900000000 ] - [ -0.0000080500000000, -0.0005549700000000, -0.0003629900000000 ] - [ 0.0000080200000000, -0.0006552500000000, -0.0005949400000000 ] - [ -0.0000149300000000, 0.0002557000000000, -0.0002412500000000 ] - [ -0.0002811300000000, -0.0016041400000000, -0.0000438000000000 ] - [ 0.0002895600000000, -0.0007979700000000, 0.0001804800000000 ] - [ -0.0000866300000000, -0.0007186500000000, 0.0005269900000000 ] - [ 0.0001857200000000, -0.0011333300000000, -0.0008331400000000 ] - [ 0.0003186900000000, 0.0011081500000000, -0.0015601300000000 ] - [ 0.0031311900000000, -0.0029633400000000, 0.0003728400000000 ] - [ 0.0002994100000000, 0.0012921900000000, -0.0000812900000000 ] - [ 0.0006109500000000, -0.0007089900000000, 0.0000275200000000 ] - [ -0.0028598000000000, -0.0036954700000000, 0.0003973400000000 ] - [ 0.0012800000000000, -0.0008874200000000, 0.0016603700000000 ] - [ -0.0001588000000000, 0.0012068800000000, -0.0003058700000000 ] - [ 0.0000779100000000, -0.0000035400000000, 0.0016067700000000 ] - [ 0.0002857200000000, -0.0009453700000000, 0.0002634300000000 ] - [ 0.0000155500000000, -0.0005053900000000, 0.0008232400000000 ]- atom: 92 displacement: [ -0.0035230240541542, 0.0000000000000000, 0.0093588621911988 ] forces: - [ 0.0000733400000000, -0.0000306200000000, 0.0001344200000000 ] - [ 0.0000602200000000, -0.0002100100000000, -0.0011044800000000 ] - [ 0.0005128000000000, 0.0001818200000000, -0.0004111500000000 ] - [ 0.0000512600000000, -0.0003310200000000, 0.0001137800000000 ] - [ -0.0011662500000000, 0.0000607600000000, -0.0013660500000000 ] - [ 0.0003735700000000, -0.0008151400000000, 0.0029022300000000 ] - [ 0.0003013400000000, 0.0001898700000000, -0.0004507400000000 ] - [ 0.0003091800000000, -0.0001829900000000, 0.0003201300000000 ] - [ -0.0000016900000000, -0.0000914000000000, -0.0000669900000000 ] - [ -0.0001102100000000, 0.0003859500000000, 0.0006297700000000 ] - [ 0.0000651600000000, 0.0003033000000000, 0.0001902200000000 ] - [ 0.0000425800000000, -0.0002014200000000, 0.0000924900000000 ] - [ 0.0004731300000000, -0.0003010200000000, -0.0001035400000000 ] - [ 0.0000546900000000, 0.0000148600000000, -0.0000772800000000 ] - [ -0.0000111900000000, -0.0000176000000000, -0.0001702900000000 ] - [ -0.0002669700000000, -0.0000192900000000, 0.0000521900000000 ] - [ 0.0006143600000000, -0.0020768700000000, 0.0005736700000000 ] - [ -0.0005001400000000, -0.0002751000000000, -0.0002726600000000 ] - [ -0.0001906800000000, 0.0000803300000000, 0.0001867100000000 ] - [ 0.0000933100000000, 0.0001887400000000, -0.0000173900000000 ] - [ -0.0004976200000000, 0.0001709400000000, 0.0005933300000000 ] - [ 0.0011908400000000, 0.0007709500000000, -0.0011135200000000 ] - [ -0.0002601700000000, 0.0000472200000000, 0.0002070700000000 ] - [ 0.0000879600000000, 0.0001492400000000, 0.0000238200000000 ] - [ -0.0001698100000000, -0.0004662900000000, 0.0007266700000000 ] - [ 0.0004863000000000, -0.0003558300000000, 0.0003864800000000 ] - [ -0.0009849200000000, 0.0008655300000000, 0.0012100700000000 ] - [ 0.0021060000000000, -0.0007458400000000, 0.0008848000000000 ] - [ 0.0001578500000000, 0.0002281800000000, -0.0022234500000000 ] - [ 0.0002247600000000, 0.0003195000000000, -0.0001142700000000 ] - [ 0.0037723600000000, -0.0047390900000000, 0.0015408600000000 ] - [ -0.0060154500000000, 0.0005017400000000, 0.0112729000000000 ] - [ -0.0001712200000000, 0.0015827900000000, -0.0005340800000000 ] - [ -0.0005256400000000, 0.0001746100000000, -0.0010990000000000 ] - [ 0.0000350600000000, -0.0002166400000000, -0.0003432300000000 ] - [ 0.0000024500000000, -0.0001300200000000, -0.0006506700000000 ] - [ 0.0004827600000000, -0.0006628500000000, -0.0010183900000000 ] - [ 0.0018206800000000, 0.0004531000000000, -0.0001162400000000 ] - [ -0.0098340500000000, -0.0004651000000000, 0.0106886100000000 ] - [ -0.0009133300000000, -0.0028106100000000, -0.0008472600000000 ] - [ -0.0001540300000000, -0.0000632800000000, 0.0002971400000000 ] - [ 0.0002886300000000, 0.0000950500000000, 0.0001393000000000 ] - [ 0.0001963300000000, -0.0000873500000000, -0.0016485100000000 ] - [ -0.0003194700000000, -0.0003694300000000, -0.0003640400000000 ] - [ 0.0003169200000000, -0.0007981800000000, 0.0004499800000000 ] - [ -0.0002389900000000, 0.0009838300000000, -0.0009353600000000 ] - [ -0.0000263500000000, 0.0002232500000000, -0.0000736100000000 ] - [ -0.0001517200000000, -0.0001936300000000, -0.0009570500000000 ] - [ -0.0001930200000000, -0.0001303500000000, -0.0000457800000000 ] - [ 0.0006495700000000, -0.0003645600000000, 0.0001324600000000 ] - [ 0.0005105400000000, 0.0002379200000000, -0.0004585800000000 ] - [ 0.0001291300000000, -0.0001879200000000, -0.0021308800000000 ] - [ 0.0000483500000000, -0.0004978100000000, 0.0001541300000000 ] - [ -0.0002082200000000, 0.0013276300000000, -0.0003566500000000 ] - [ -0.0001008300000000, -0.0002354200000000, -0.0001073200000000 ] - [ 0.0001629600000000, -0.0005253700000000, -0.0004105300000000 ] - [ 0.0003689600000000, 0.0002672000000000, -0.0004400900000000 ] - [ 0.0005831700000000, -0.0002896300000000, -0.0003238600000000 ] - [ 0.0004433500000000, 0.0008349600000000, 0.0001151200000000 ] - [ 0.0000604400000000, -0.0004054500000000, 0.0001175700000000 ] - [ -0.0000643200000000, -0.0000187500000000, -0.0003021400000000 ] - [ 0.0002747400000000, 0.0000195300000000, -0.0008175600000000 ] - [ -0.0000300000000000, 0.0002464900000000, 0.0000964300000000 ] - [ -0.0000554200000000, -0.0004300100000000, -0.0000722700000000 ] - [ -0.0001883400000000, -0.0001128400000000, -0.0002779400000000 ] - [ 0.0000152800000000, 0.0000759100000000, -0.0000905400000000 ] - [ -0.0008826200000000, 0.0011145000000000, -0.0023479900000000 ] - [ 0.0000175400000000, 0.0002199600000000, -0.0001854600000000 ] - [ -0.0001553000000000, -0.0002685800000000, -0.0009506700000000 ] - [ 0.0003138400000000, 0.0004108900000000, 0.0000306200000000 ] - [ -0.0004793400000000, -0.0000753600000000, 0.0002061800000000 ] - [ 0.0032338100000000, 0.0008770700000000, -0.0002197000000000 ] - [ 0.0008367000000000, -0.0000230800000000, 0.0001061200000000 ] - [ 0.0006977000000000, -0.0001078000000000, 0.0011951900000000 ] - [ -0.0000602500000000, 0.0001413000000000, -0.0002131100000000 ] - [ 0.0004731900000000, 0.0038695600000000, -0.0034320900000000 ] - [ -0.0003120700000000, -0.0001173000000000, -0.0001754200000000 ] - [ -0.0698811200000000, 0.0396840100000000, 0.0565216600000000 ] - [ -0.0001109800000000, -0.0002740800000000, 0.0000366900000000 ] - [ -0.0001974300000000, 0.0002988700000000, -0.0000129400000000 ] - [ -0.0033641300000000, 0.0002209600000000, -0.0004347600000000 ] - [ 0.0026101800000000, 0.0031247700000000, 0.0012658400000000 ] - [ -0.0006470100000000, -0.0004378100000000, 0.0003390900000000 ] - [ -0.0049807700000000, -0.0000601600000000, -0.0008962900000000 ] - [ 0.0001513200000000, -0.0002244900000000, 0.0000615700000000 ] - [ 0.0003471600000000, -0.0000019200000000, 0.0001677000000000 ] - [ -0.0005936200000000, 0.0001233800000000, -0.0000969600000000 ] - [ -0.0001954500000000, 0.0002607000000000, -0.0000471100000000 ] - [ -0.0001741200000000, -0.0002227400000000, -0.0000671600000000 ] - [ 0.0004700900000000, -0.0004845200000000, 0.0003201200000000 ] - [ -0.0003247900000000, 0.0000915000000000, -0.0001922800000000 ] - [ 0.1162029000000000, -0.0478195000000000, -0.0532934800000000 ] - [ -0.0002490500000000, 0.0002880100000000, 0.0005032300000000 ] - [ 0.0003225700000000, -0.0001409700000000, 0.0003917400000000 ] - [ 0.0000124900000000, -0.0002183900000000, 0.0001164700000000 ] - [ -0.0004409000000000, -0.0014917400000000, -0.0003934100000000 ] - [ 0.0002556200000000, 0.0003944500000000, 0.0000698200000000 ] - [ 0.0013751000000000, -0.0037574200000000, -0.0012894900000000 ] - [ -0.0001899400000000, -0.0000925300000000, -0.0002949400000000 ] - [ 0.0011616100000000, 0.0015708900000000, -0.0018780300000000 ] - [ 0.0000543900000000, 0.0000621400000000, -0.0003300800000000 ] - [ -0.0013891800000000, -0.0033743700000000, 0.0010208900000000 ] - [ 0.0001083800000000, -0.0001574100000000, 0.0000873700000000 ] - [ -0.0003196500000000, -0.0000662700000000, 0.0001444300000000 ] - [ 0.0001343400000000, -0.0005187300000000, -0.0001218000000000 ] - [ -0.0002790200000000, 0.0001839700000000, 0.0000519600000000 ] - [ -0.0003523200000000, -0.0000188500000000, 0.0004546100000000 ] - [ 0.0006752600000000, 0.0000584100000000, 0.0007529100000000 ] - [ -0.0000762800000000, 0.0005878500000000, 0.0008821000000000 ] - [ -0.0002694600000000, -0.0000600700000000, 0.0018285200000000 ] - [ -0.0033332800000000, -0.0077151100000000, 0.0080922100000000 ] - [ 0.0005824200000000, 0.0006141600000000, 0.0004144600000000 ] - [ 0.0000877300000000, 0.0001415400000000, -0.0001989200000000 ] - [ -0.0000026300000000, -0.0001560300000000, 0.0005506100000000 ] - [ -0.0002223400000000, -0.0001924800000000, 0.0003056000000000 ] - [ 0.0000946800000000, 0.0006351700000000, 0.0003883600000000 ] - [ -0.0008638100000000, 0.0009539400000000, 0.0006696100000000 ] - [ 0.0001699400000000, 0.0001707800000000, 0.0002565100000000 ] - [ -0.0000069100000000, -0.0004405500000000, 0.0002201100000000 ] - [ 0.0000765500000000, 0.0000884900000000, 0.0000499200000000 ] - [ -0.0002152000000000, 0.0004215800000000, -0.0000781000000000 ] - [ 0.0000790200000000, -0.0001420300000000, 0.0002733100000000 ] - [ 0.0017525600000000, 0.0115152000000000, -0.0143016300000000 ] - [ -0.0324296000000000, 0.0100426100000000, -0.0140253600000000 ] - [ -0.0005761700000000, -0.0004808000000000, 0.0004578000000000 ] - [ -0.0000922300000000, 0.0001273300000000, -0.0000223800000000 ] - [ -0.0023188200000000, -0.0005078800000000, 0.0001097300000000 ] - [ -0.0000456600000000, 0.0003643300000000, -0.0001064000000000 ] - [ 0.0001468300000000, 0.0007223500000000, -0.0006997300000000 ] - [ -0.0004878300000000, 0.0008867100000000, -0.0004644600000000 ] - [ -0.0004490100000000, 0.0002237500000000, -0.0022790300000000 ] - [ -0.0000426800000000, 0.0000429600000000, 0.0001153700000000 ] - [ -0.0000856200000000, -0.0001516900000000, -0.0000194300000000 ] - [ -0.0000645500000000, 0.0005800700000000, 0.0002379900000000 ] - [ 0.0002780100000000, -0.0003787800000000, 0.0000145100000000 ] - [ 0.0000683700000000, 0.0005935500000000, -0.0002270100000000 ] - [ 0.0003070600000000, 0.0000045700000000, 0.0003203300000000 ] - [ 0.0001158600000000, -0.0001083300000000, 0.0000248800000000 ] - [ 0.0003494900000000, 0.0004993500000000, 0.0001437000000000 ] - [ -0.0005539300000000, -0.0000082600000000, 0.0001205700000000 ] - [ -0.0004259100000000, -0.0005287500000000, 0.0006672500000000 ] - [ -0.0002299900000000, 0.0002343700000000, -0.0000772600000000 ] - [ 0.0000572600000000, 0.0000945000000000, -0.0000010500000000 ] - [ -0.0000082700000000, -0.0001313200000000, 0.0001650700000000 ] - [ -0.0000532900000000, 0.0006184800000000, 0.0002279600000000 ] - [ 0.0005176000000000, -0.0002452400000000, 0.0001224000000000 ] - [ -0.0000736500000000, 0.0000456800000000, 0.0000819300000000 ] - [ -0.0002669300000000, -0.0003877700000000, 0.0003723700000000 ] - [ -0.0002018300000000, -0.0004150500000000, 0.0000148900000000 ] - [ 0.0002520000000000, 0.0000407500000000, 0.0010194800000000 ] - [ 0.0025605000000000, 0.0025234700000000, -0.0012789700000000 ] - [ -0.0002348600000000, 0.0000265300000000, 0.0004495200000000 ] - [ -0.0003653100000000, 0.0001153700000000, 0.0003606200000000 ] - [ -0.0000371000000000, 0.0000771500000000, -0.0000953600000000 ] - [ -0.0004241300000000, -0.0003953100000000, 0.0002017100000000 ] - [ -0.0007316300000000, -0.0001118400000000, -0.0000463900000000 ] - [ 0.0001004700000000, -0.0004226700000000, 0.0001817900000000 ] - [ 0.0001418900000000, -0.0000974700000000, 0.0000308300000000 ] - [ 0.0002122000000000, -0.0003629900000000, -0.0004123100000000 ] - [ 0.0002114700000000, 0.0000149700000000, 0.0001502800000000 ] - [ 0.0000164400000000, 0.0000368500000000, -0.0004600000000000 ] - [ -0.0001949100000000, 0.0005924400000000, 0.0003558700000000 ] - [ -0.0001960400000000, 0.0002019700000000, -0.0001116200000000 ] - [ 0.0003348600000000, 0.0000055900000000, -0.0004484800000000 ] - [ 0.0001457000000000, -0.0002323400000000, 0.0000148200000000 ] - [ -0.0001391800000000, 0.0001520000000000, 0.0004197700000000 ] - [ -0.0002636500000000, -0.0000169900000000, 0.0016943300000000 ] - [ -0.0002600100000000, 0.0013522900000000, -0.0003659100000000 ] - [ -0.0000587000000000, -0.0001083100000000, 0.0005645400000000 ] - [ 0.0006551400000000, -0.0002635900000000, 0.0001854000000000 ] - [ -0.0007040200000000, -0.0003275700000000, -0.0001825400000000 ] - [ 0.0011206300000000, -0.0010418700000000, 0.0004839800000000 ] - [ -0.0004046000000000, 0.0000670600000000, 0.0002854100000000 ] - [ -0.0000785900000000, -0.0011126200000000, 0.0025939600000000 ] - [ 0.0000953400000000, -0.0004673300000000, 0.0002452700000000 ] - [ -0.0010067900000000, -0.0025725200000000, 0.0002467500000000 ]- atom: 92 displacement: [ 0.0035230240541542, 0.0000000000000000, -0.0093588621911988 ] forces: - [ 0.0001161600000000, -0.0001841100000000, 0.0000511900000000 ] - [ -0.0001920700000000, 0.0006577500000000, 0.0010541100000000 ] - [ 0.0001029900000000, -0.0001925900000000, 0.0002646500000000 ] - [ 0.0000410300000000, -0.0003345400000000, 0.0001653000000000 ] - [ 0.0010657300000000, -0.0007209100000000, 0.0010772800000000 ] - [ -0.0006006100000000, 0.0006235100000000, -0.0031011500000000 ] - [ -0.0004882300000000, 0.0000254900000000, 0.0002652500000000 ] - [ 0.0005572600000000, 0.0005167600000000, -0.0001000300000000 ] - [ 0.0000600200000000, -0.0000135300000000, -0.0000464300000000 ] - [ 0.0000501100000000, -0.0002808500000000, -0.0005124600000000 ] - [ 0.0000266500000000, 0.0003604000000000, 0.0000901700000000 ] - [ 0.0000844400000000, -0.0002409200000000, -0.0000371000000000 ] - [ 0.0003952900000000, -0.0000356900000000, 0.0003184900000000 ] - [ 0.0000043300000000, 0.0000871400000000, -0.0000373000000000 ] - [ -0.0000449000000000, -0.0000848900000000, 0.0002826100000000 ] - [ -0.0003498900000000, 0.0000097500000000, 0.0000942400000000 ] - [ -0.0008312100000000, 0.0017045800000000, -0.0004787800000000 ] - [ -0.0003681600000000, -0.0000622500000000, 0.0000552400000000 ] - [ -0.0006754200000000, 0.0002561300000000, -0.0004053400000000 ] - [ 0.0000347000000000, 0.0002505900000000, 0.0000729400000000 ] - [ 0.0011092600000000, -0.0001628600000000, -0.0007273400000000 ] - [ -0.0012865600000000, -0.0001016300000000, 0.0008266400000000 ] - [ -0.0003557900000000, -0.0000384000000000, -0.0000618100000000 ] - [ 0.0001017500000000, 0.0000628300000000, 0.0001603400000000 ] - [ 0.0006918500000000, 0.0001374600000000, 0.0001970100000000 ] - [ -0.0004140500000000, -0.0001219600000000, -0.0000970400000000 ] - [ 0.0006111200000000, -0.0018958800000000, -0.0005545900000000 ] - [ -0.0026104400000000, 0.0004253000000000, -0.0018009500000000 ] - [ -0.0002276500000000, 0.0002494900000000, 0.0019213600000000 ] - [ -0.0000368200000000, -0.0000027400000000, -0.0007561200000000 ] - [ -0.0039176500000000, 0.0050358100000000, -0.0006516800000000 ] - [ 0.0060535100000000, -0.0001193700000000, -0.0112255900000000 ] - [ -0.0002009700000000, -0.0005490800000000, 0.0011954700000000 ] - [ 0.0000008900000000, 0.0001497100000000, 0.0001800600000000 ] - [ -0.0001512500000000, -0.0001594500000000, 0.0002526600000000 ] - [ 0.0001826000000000, -0.0001842100000000, -0.0002213300000000 ] - [ -0.0000850800000000, 0.0008391500000000, 0.0009270700000000 ] - [ -0.0014405900000000, -0.0014759100000000, -0.0005386100000000 ] - [ 0.0096678500000000, -0.0000708100000000, -0.0109365000000000 ] - [ 0.0012939300000000, 0.0025848400000000, 0.0007281100000000 ] - [ 0.0000369800000000, 0.0004349700000000, -0.0003838300000000 ] - [ 0.0002347500000000, 0.0002211100000000, 0.0007799500000000 ] - [ -0.0000784400000000, -0.0002880700000000, 0.0017365500000000 ] - [ -0.0000815700000000, 0.0005565000000000, 0.0004459200000000 ] - [ -0.0007088600000000, 0.0006072400000000, -0.0003575900000000 ] - [ 0.0006120700000000, 0.0000368100000000, 0.0002721100000000 ] - [ 0.0000957600000000, 0.0002467700000000, 0.0003623600000000 ] - [ -0.0000352900000000, -0.0001215500000000, 0.0018223100000000 ] - [ -0.0001236800000000, -0.0003463600000000, -0.0000078200000000 ] - [ -0.0005681900000000, 0.0007539000000000, 0.0000368200000000 ] - [ -0.0000607700000000, -0.0001688200000000, -0.0002364100000000 ] - [ 0.0001619800000000, 0.0000550800000000, 0.0026658100000000 ] - [ 0.0003610000000000, 0.0011525000000000, -0.0003885600000000 ] - [ -0.0002151600000000, -0.0006716300000000, 0.0006001800000000 ] - [ 0.0004177700000000, -0.0002402400000000, 0.0001615400000000 ] - [ 0.0001380700000000, -0.0002586600000000, -0.0000495300000000 ] - [ -0.0003358900000000, 0.0003449500000000, 0.0002219300000000 ] - [ -0.0001614900000000, -0.0003688100000000, 0.0000831000000000 ] - [ -0.0005079800000000, -0.0004285900000000, -0.0002827400000000 ] - [ -0.0000913900000000, -0.0002089100000000, 0.0000985800000000 ] - [ -0.0002286700000000, 0.0001514400000000, -0.0002392900000000 ] - [ 0.0000243200000000, 0.0001196800000000, 0.0013453900000000 ] - [ -0.0000033100000000, 0.0003635200000000, 0.0001198500000000 ] - [ -0.0003645400000000, -0.0002350000000000, 0.0003105400000000 ] - [ -0.0001045200000000, -0.0000197900000000, -0.0002679500000000 ] - [ 0.0002383300000000, -0.0003372100000000, -0.0000524200000000 ] - [ 0.0006299300000000, -0.0008635900000000, 0.0024971200000000 ] - [ 0.0002814000000000, 0.0005580500000000, -0.0002684300000000 ] - [ -0.0001510300000000, 0.0010602400000000, 0.0014121900000000 ] - [ -0.0000593200000000, -0.0001498800000000, -0.0001701700000000 ] - [ 0.0000322700000000, 0.0000079600000000, 0.0004864900000000 ] - [ -0.0029043500000000, -0.0003912200000000, 0.0002709100000000 ] - [ -0.0011276200000000, -0.0007554300000000, 0.0003508100000000 ] - [ -0.0011439500000000, 0.0001769700000000, -0.0004931500000000 ] - [ 0.0005093300000000, -0.0002100200000000, -0.0004790900000000 ] - [ -0.0007240800000000, -0.0041096700000000, 0.0035641800000000 ] - [ 0.0002394500000000, -0.0002761700000000, 0.0000064100000000 ] - [ 0.0707402500000000, -0.0412821000000000, -0.0560521700000000 ] - [ 0.0001818300000000, -0.0001249300000000, 0.0001315800000000 ] - [ -0.0001207400000000, 0.0001746800000000, -0.0000406400000000 ] - [ 0.0038245400000000, 0.0005750300000000, 0.0004971000000000 ] - [ -0.0027211300000000, -0.0031207300000000, -0.0004342800000000 ] - [ 0.0000914100000000, 0.0002644200000000, 0.0001335700000000 ] - [ 0.0046860600000000, 0.0008233700000000, 0.0006467500000000 ] - [ -0.0000821600000000, 0.0001046600000000, 0.0006033300000000 ] - [ 0.0001381900000000, 0.0000725800000000, 0.0000463600000000 ] - [ 0.0010796500000000, -0.0002303000000000, -0.0001584100000000 ] - [ -0.0003626900000000, -0.0001690700000000, -0.0001528400000000 ] - [ -0.0002164300000000, 0.0001504900000000, 0.0004747100000000 ] - [ 0.0000040200000000, -0.0003191300000000, -0.0002540900000000 ] - [ 0.0005490900000000, 0.0000471000000000, 0.0004663100000000 ] - [ -0.1169525800000000, 0.0497905500000000, 0.0522835900000000 ] - [ -0.0002332800000000, 0.0002231100000000, 0.0003332300000000 ] - [ 0.0002472000000000, 0.0001151300000000, 0.0001811000000000 ] - [ -0.0001609000000000, -0.0009588600000000, 0.0002200300000000 ] - [ 0.0006292400000000, 0.0003605900000000, 0.0000264200000000 ] - [ 0.0000137200000000, 0.0003871600000000, 0.0001738700000000 ] - [ -0.0012117300000000, 0.0025782200000000, 0.0009494200000000 ] - [ -0.0002059800000000, 0.0001597500000000, 0.0007109600000000 ] - [ -0.0015348400000000, -0.0007144600000000, 0.0018154800000000 ] - [ 0.0000770100000000, -0.0000425100000000, -0.0005033600000000 ] - [ 0.0008383100000000, 0.0034296100000000, -0.0015894200000000 ] - [ 0.0004609100000000, 0.0001847500000000, 0.0004814200000000 ] - [ 0.0000970600000000, -0.0010545500000000, 0.0002231300000000 ] - [ 0.0001404600000000, -0.0005638100000000, -0.0002256700000000 ] - [ 0.0000387800000000, -0.0000917000000000, 0.0001416600000000 ] - [ -0.0001329800000000, 0.0000884200000000, -0.0006666300000000 ] - [ -0.0001907700000000, 0.0004498800000000, -0.0015843600000000 ] - [ 0.0003146100000000, -0.0006737200000000, -0.0010720000000000 ] - [ -0.0000597700000000, 0.0006069600000000, -0.0012450300000000 ] - [ 0.0029448000000000, 0.0070692500000000, -0.0074030800000000 ] - [ -0.0000068700000000, -0.0007123400000000, -0.0001994600000000 ] - [ 0.0002439500000000, 0.0003999200000000, -0.0003862700000000 ] - [ 0.0000700300000000, 0.0002793800000000, 0.0001146200000000 ] - [ -0.0002585500000000, -0.0003177000000000, 0.0005294300000000 ] - [ 0.0001302000000000, -0.0005431900000000, -0.0005654100000000 ] - [ 0.0014195600000000, -0.0008539100000000, -0.0004591900000000 ] - [ 0.0001555500000000, -0.0000336500000000, 0.0000767300000000 ] - [ -0.0002657700000000, -0.0003383100000000, -0.0004643200000000 ] - [ 0.0002482300000000, -0.0002251900000000, 0.0002815000000000 ] - [ -0.0002586500000000, 0.0003828800000000, 0.0000130000000000 ] - [ -0.0003536700000000, -0.0000992800000000, 0.0000589400000000 ] - [ -0.0021987600000000, -0.0114291900000000, 0.0141030100000000 ] - [ 0.0327783100000000, -0.0097233700000000, 0.0144401400000000 ] - [ 0.0001874400000000, -0.0003874600000000, -0.0005146500000000 ] - [ -0.0001394100000000, -0.0002625400000000, -0.0002607500000000 ] - [ 0.0022595800000000, 0.0003824900000000, -0.0007768200000000 ] - [ -0.0001859600000000, -0.0002197900000000, -0.0001737500000000 ] - [ 0.0007947300000000, -0.0005731800000000, 0.0008202300000000 ] - [ 0.0014453700000000, -0.0002962700000000, 0.0003306200000000 ] - [ -0.0000375300000000, -0.0002986500000000, 0.0020473700000000 ] - [ -0.0001938300000000, -0.0001328200000000, 0.0000797600000000 ] - [ -0.0001301000000000, -0.0001784200000000, -0.0000976600000000 ] - [ 0.0002156800000000, 0.0005991100000000, -0.0005760800000000 ] - [ -0.0012162800000000, 0.0005239200000000, -0.0001399500000000 ] - [ 0.0002088200000000, 0.0004946900000000, -0.0001217200000000 ] - [ 0.0006357400000000, -0.0001504200000000, -0.0001962100000000 ] - [ 0.0002764800000000, 0.0000425600000000, -0.0004395300000000 ] - [ -0.0001298700000000, 0.0006274500000000, -0.0005095400000000 ] - [ -0.0003840300000000, -0.0001295800000000, -0.0002427100000000 ] - [ 0.0001491900000000, -0.0005595400000000, -0.0003173200000000 ] - [ -0.0003352500000000, -0.0003204600000000, -0.0001310300000000 ] - [ -0.0001264700000000, 0.0000292900000000, -0.0006624800000000 ] - [ -0.0005454300000000, 0.0003055800000000, 0.0003092100000000 ] - [ -0.0001654800000000, 0.0005087200000000, 0.0001399800000000 ] - [ -0.0000330600000000, 0.0003515600000000, -0.0003746400000000 ] - [ -0.0001594700000000, -0.0001792600000000, 0.0003423700000000 ] - [ -0.0006966800000000, -0.0002009300000000, -0.0002385600000000 ] - [ -0.0002711500000000, -0.0003865100000000, -0.0000800900000000 ] - [ -0.0000219900000000, -0.0001820100000000, -0.0007401400000000 ] - [ -0.0023438900000000, -0.0026749900000000, 0.0008499600000000 ] - [ 0.0004646000000000, 0.0001066300000000, -0.0008734200000000 ] - [ 0.0008406000000000, -0.0006235100000000, -0.0011863100000000 ] - [ 0.0004284700000000, 0.0007911600000000, 0.0001508000000000 ] - [ -0.0000630100000000, 0.0002906700000000, 0.0000523600000000 ] - [ 0.0004463600000000, 0.0003457800000000, 0.0003765200000000 ] - [ 0.0001681500000000, -0.0003542500000000, 0.0000619400000000 ] - [ 0.0003461800000000, 0.0000279700000000, 0.0001887500000000 ] - [ 0.0001197600000000, -0.0001771200000000, -0.0001719900000000 ] - [ 0.0000663600000000, -0.0002516900000000, -0.0004805200000000 ] - [ 0.0001147500000000, -0.0000548100000000, -0.0003711400000000 ] - [ 0.0000435600000000, 0.0005829200000000, -0.0000147400000000 ] - [ -0.0000220400000000, 0.0001313200000000, -0.0000058000000000 ] - [ 0.0000580900000000, 0.0000612100000000, 0.0000288400000000 ] - [ -0.0006298600000000, 0.0003354100000000, 0.0002350400000000 ] - [ -0.0000957100000000, -0.0000129200000000, 0.0000118300000000 ] - [ 0.0001307800000000, 0.0000309300000000, -0.0008481500000000 ] - [ 0.0005230500000000, -0.0010989300000000, 0.0000302100000000 ] - [ 0.0002769800000000, -0.0002254500000000, -0.0004442700000000 ] - [ 0.0003077800000000, -0.0003207500000000, -0.0003170000000000 ] - [ -0.0002633400000000, 0.0008959200000000, 0.0003161700000000 ] - [ -0.0005703100000000, 0.0008735400000000, -0.0009565200000000 ] - [ 0.0000794400000000, 0.0000702800000000, -0.0006164600000000 ] - [ -0.0004917700000000, 0.0010753700000000, -0.0031501900000000 ] - [ 0.0002910400000000, -0.0003970000000000, -0.0001859300000000 ] - [ 0.0015507900000000, 0.0027267400000000, -0.0007207200000000 ]- atom: 93 displacement: [ 0.0099999639143206, 0.0000000000000000, -0.0000268647033593 ] forces: - [ 0.0000037700000000, 0.0000462900000000, -0.0002661500000000 ] - [ -0.0005168400000000, 0.0002738200000000, -0.0000107500000000 ] - [ 0.0003097000000000, -0.0002615100000000, -0.0001168300000000 ] - [ 0.0027047700000000, -0.0003479000000000, 0.0004711200000000 ] - [ 0.0000452200000000, -0.0003907900000000, -0.0001457300000000 ] - [ -0.0001128100000000, -0.0002872400000000, -0.0001117700000000 ] - [ -0.0002507100000000, 0.0000669400000000, -0.0001330600000000 ] - [ 0.0004417600000000, 0.0001251100000000, 0.0001052200000000 ] - [ 0.0004579000000000, 0.0001295800000000, -0.0002058100000000 ] - [ -0.0000224100000000, -0.0000360300000000, 0.0000713500000000 ] - [ -0.0000413200000000, 0.0005595000000000, 0.0003427300000000 ] - [ -0.0015411400000000, 0.0011887500000000, -0.0011651100000000 ] - [ 0.0037915100000000, -0.0020324800000000, 0.0001418900000000 ] - [ 0.0026484200000000, 0.0005687000000000, -0.0004332600000000 ] - [ 0.0003393500000000, -0.0003096500000000, 0.0000959000000000 ] - [ -0.0007362200000000, -0.0002228400000000, 0.0004262000000000 ] - [ -0.0000757300000000, -0.0002885500000000, -0.0000743500000000 ] - [ -0.0004471000000000, -0.0001855400000000, -0.0001103100000000 ] - [ 0.0008325900000000, -0.0010827700000000, -0.0010448800000000 ] - [ -0.0002529500000000, 0.0002012800000000, -0.0001007200000000 ] - [ 0.0003200700000000, -0.0000716400000000, -0.0000789800000000 ] - [ -0.0000104700000000, 0.0003716000000000, -0.0000816000000000 ] - [ -0.0001429900000000, -0.0000226200000000, 0.0000979200000000 ] - [ -0.0006240200000000, -0.0002833600000000, -0.0000611200000000 ] - [ -0.0006083300000000, 0.0004306500000000, 0.0024020400000000 ] - [ 0.0017277700000000, 0.0005838000000000, -0.0045603800000000 ] - [ -0.0007164400000000, -0.0009268600000000, 0.0005533200000000 ] - [ -0.0001355800000000, -0.0004312600000000, -0.0004403000000000 ] - [ 0.0004531100000000, 0.0012018900000000, -0.0009517900000000 ] - [ 0.0004834200000000, 0.0000385400000000, 0.0005001500000000 ] - [ 0.0001614600000000, 0.0001154500000000, 0.0011642100000000 ] - [ -0.0002402500000000, -0.0003834600000000, -0.0006701400000000 ] - [ -0.0000631600000000, 0.0020745400000000, -0.0023113900000000 ] - [ -0.0003433100000000, -0.0009270600000000, 0.0004779600000000 ] - [ -0.0049989400000000, -0.0000590700000000, -0.0011889300000000 ] - [ 0.0273431700000000, 0.0075918200000000, -0.0166297900000000 ] - [ 0.0001697800000000, -0.0002723900000000, -0.0002299100000000 ] - [ 0.0001625400000000, -0.0007758500000000, -0.0010805500000000 ] - [ -0.0001233100000000, -0.0004574400000000, -0.0000898900000000 ] - [ -0.0023044300000000, 0.0003676900000000, 0.0000978900000000 ] - [ -0.0006218400000000, 0.0006598100000000, -0.0003656500000000 ] - [ 0.0005589200000000, -0.0023702000000000, -0.0007365600000000 ] - [ -0.0002115400000000, -0.0004081300000000, 0.0000496200000000 ] - [ -0.0118394600000000, -0.0054845500000000, 0.0053138400000000 ] - [ -0.0002330800000000, -0.0000738800000000, -0.0000770400000000 ] - [ 0.0000749600000000, 0.0005142900000000, -0.0003084300000000 ] - [ -0.0000864100000000, 0.0018478300000000, 0.0004327500000000 ] - [ 0.0001289800000000, -0.0003848700000000, 0.0004511000000000 ] - [ -0.0018091600000000, -0.0027858600000000, -0.0024672500000000 ] - [ 0.0008250500000000, 0.0005659200000000, 0.0004246700000000 ] - [ -0.0002369500000000, -0.0009036900000000, 0.0008139900000000 ] - [ 0.0002580900000000, -0.0001411100000000, 0.0002310600000000 ] - [ 0.0001395900000000, 0.0003092900000000, -0.0001173400000000 ] - [ -0.0012400300000000, 0.0004470300000000, -0.0002307800000000 ] - [ 0.0001211000000000, -0.0005307500000000, 0.0000251200000000 ] - [ -0.0039173700000000, 0.0025477800000000, 0.0005790500000000 ] - [ 0.0000660700000000, 0.0002838400000000, -0.0001280000000000 ] - [ -0.0018313600000000, 0.0003108100000000, -0.0001801800000000 ] - [ 0.0000126500000000, 0.0000279800000000, -0.0000545000000000 ] - [ 0.0004193200000000, 0.0004302500000000, 0.0000087700000000 ] - [ -0.0001053400000000, 0.0001232500000000, -0.0000035000000000 ] - [ 0.0010655400000000, 0.0009580500000000, 0.0011455700000000 ] - [ -0.0023659100000000, 0.0018941500000000, 0.0004685700000000 ] - [ -0.0007799200000000, -0.0006051100000000, 0.0001216800000000 ] - [ 0.1635348000000000, 0.0452329700000000, 0.0966059600000000 ] - [ -0.0001304700000000, 0.0002878400000000, 0.0000472100000000 ] - [ -0.0001256600000000, 0.0000332400000000, 0.0000496300000000 ] - [ -0.0000780700000000, 0.0004438100000000, -0.0006694400000000 ] - [ -0.0006979500000000, -0.0004180700000000, -0.0008450200000000 ] - [ -0.0003266100000000, 0.0000921500000000, -0.0009226000000000 ] - [ -0.0001632000000000, -0.0000853400000000, 0.0004425200000000 ] - [ 0.0003862400000000, -0.0001618400000000, 0.0000489100000000 ] - [ -0.0002295800000000, -0.0004702100000000, 0.0002242200000000 ] - [ -0.0001017200000000, -0.0000140100000000, 0.0005936900000000 ] - [ 0.0030450400000000, -0.0008109300000000, 0.0011081000000000 ] - [ -0.0002453300000000, -0.0001290300000000, -0.0003571800000000 ] - [ 0.0045930500000000, -0.0005963800000000, 0.0004114100000000 ] - [ -0.0001669500000000, -0.0003986300000000, -0.0000937400000000 ] - [ 0.0003189700000000, -0.0003363900000000, 0.0000776600000000 ] - [ -0.0012890600000000, 0.0001797500000000, 0.0000427400000000 ] - [ 0.0000515000000000, 0.0005388500000000, -0.0000332800000000 ] - [ -0.0000824600000000, 0.0000590100000000, 0.0004458200000000 ] - [ 0.0004229800000000, -0.0001014000000000, 0.0009799200000000 ] - [ -0.0002337200000000, 0.0006634900000000, -0.0000697500000000 ] - [ 0.0004426500000000, 0.0000644500000000, 0.0002883400000000 ] - [ -0.0002991500000000, -0.0005674800000000, -0.0059962600000000 ] - [ 0.0002364100000000, 0.0000729800000000, -0.0001364500000000 ] - [ 0.0044563000000000, -0.0017880600000000, 0.0007192300000000 ] - [ -0.0001714300000000, 0.0001057200000000, -0.0001444200000000 ] - [ 0.0001586100000000, -0.0000967200000000, -0.0000216000000000 ] - [ 0.0001386300000000, 0.0001387700000000, 0.0001664800000000 ] - [ 0.0000500100000000, 0.0007068800000000, 0.0002370200000000 ] - [ -0.2421117900000000, -0.0863927500000000, -0.1090137200000000 ] - [ 0.0003141900000000, -0.0003298500000000, 0.0003557700000000 ] - [ -0.0000287400000000, -0.0006238700000000, 0.0002233800000000 ] - [ 0.0000711100000000, -0.0004316800000000, -0.0001988300000000 ] - [ 0.0008491700000000, 0.0000393300000000, 0.0001375800000000 ] - [ 0.0006934400000000, -0.0003116400000000, 0.0003284500000000 ] - [ -0.0002548600000000, 0.0001286000000000, 0.0001487400000000 ] - [ -0.0001103000000000, 0.0005200300000000, -0.0000814800000000 ] - [ 0.0000922900000000, -0.0001826300000000, -0.0007624600000000 ] - [ -0.0002501000000000, 0.0001322200000000, -0.0003238400000000 ] - [ 0.0003461800000000, 0.0002906800000000, 0.0015571200000000 ] - [ -0.0010775200000000, -0.0009136900000000, -0.0002764100000000 ] - [ 0.0020514600000000, -0.0014363700000000, -0.0000979000000000 ] - [ -0.0001125000000000, 0.0000216800000000, 0.0000176700000000 ] - [ -0.0003531800000000, 0.0001229800000000, -0.0001569200000000 ] - [ 0.0001658200000000, 0.0003281400000000, -0.0004266100000000 ] - [ 0.0000059100000000, 0.0000745800000000, -0.0000359700000000 ] - [ -0.0001002200000000, 0.0003521400000000, 0.0003251100000000 ] - [ -0.0001411800000000, -0.0003025800000000, 0.0006133500000000 ] - [ 0.0015160800000000, 0.0005151600000000, 0.0009022200000000 ] - [ 0.0008529800000000, 0.0000721600000000, 0.0002093900000000 ] - [ 0.0020897000000000, 0.0001668700000000, 0.0037734900000000 ] - [ -0.0003320600000000, -0.0002827700000000, 0.0001723200000000 ] - [ 0.0004841400000000, -0.0011039600000000, -0.0011912400000000 ] - [ 0.0003654400000000, 0.0001453300000000, 0.0001762800000000 ] - [ 0.0028274100000000, -0.0012739300000000, -0.0017155500000000 ] - [ 0.0000453700000000, -0.0000422500000000, -0.0001617600000000 ] - [ 0.0000745300000000, -0.0005451600000000, 0.0001605100000000 ] - [ 0.0006898400000000, 0.0008317800000000, -0.0011432900000000 ] - [ -0.0020285500000000, 0.0022710000000000, -0.0020113000000000 ] - [ 0.0001576600000000, 0.0000347200000000, -0.0002325200000000 ] - [ 0.0002182700000000, 0.0002472500000000, -0.0000385200000000 ] - [ 0.0009615600000000, -0.0008070000000000, 0.0004727700000000 ] - [ -0.0000758600000000, 0.0002777900000000, 0.0004408800000000 ] - [ -0.0001193500000000, 0.0003032200000000, -0.0000492200000000 ] - [ 0.0026883200000000, -0.0008085800000000, -0.0012189000000000 ] - [ 0.0005000800000000, 0.0001491400000000, 0.0000722200000000 ] - [ -0.0003759300000000, 0.0004522500000000, 0.0002206500000000 ] - [ -0.0003169400000000, 0.0000166200000000, -0.0003557600000000 ] - [ 0.0529032500000000, 0.0393098400000000, 0.0121450900000000 ] - [ 0.0019563400000000, -0.0026986700000000, -0.0019951500000000 ] - [ 0.0002303200000000, 0.0008507500000000, -0.0001343900000000 ] - [ 0.0004652600000000, -0.0002661200000000, -0.0001109600000000 ] - [ 0.0002357400000000, -0.0003766700000000, 0.0003191200000000 ] - [ 0.0020150700000000, 0.0000692000000000, -0.0006982600000000 ] - [ 0.0000738000000000, 0.0017459900000000, -0.0005468700000000 ] - [ -0.0012746700000000, 0.0006330600000000, -0.0003043500000000 ] - [ 0.0000749600000000, 0.0004483000000000, 0.0001203900000000 ] - [ -0.0000408100000000, -0.0006319200000000, 0.0002302100000000 ] - [ -0.0001171800000000, 0.0000186400000000, 0.0000635400000000 ] - [ 0.0000463300000000, 0.0002842900000000, -0.0003178500000000 ] - [ 0.0000498000000000, -0.0001582900000000, 0.0002907000000000 ] - [ -0.0009189500000000, 0.0006527600000000, 0.0002205600000000 ] - [ 0.0002052300000000, 0.0001094700000000, -0.0001450400000000 ] - [ -0.0000465800000000, -0.0001859600000000, 0.0005684600000000 ] - [ -0.0036399800000000, -0.0020869700000000, 0.0021089300000000 ] - [ -0.0017616200000000, 0.0012351600000000, 0.0043124100000000 ] - [ 0.0007186500000000, 0.0019396100000000, -0.0001175600000000 ] - [ 0.0001584500000000, 0.0005161900000000, 0.0005074300000000 ] - [ 0.0001690600000000, 0.0001488400000000, -0.0002124800000000 ] - [ -0.0006188900000000, -0.0002640100000000, -0.0009782900000000 ] - [ 0.0008088500000000, 0.0007568100000000, 0.0008336800000000 ] - [ 0.0004627500000000, 0.0005450700000000, -0.0003462700000000 ] - [ -0.0002125600000000, 0.0002416700000000, 0.0000874300000000 ] - [ 0.0010818700000000, 0.0006007700000000, 0.0004734800000000 ] - [ -0.0001686200000000, 0.0006777200000000, -0.0006711300000000 ] - [ 0.0002953900000000, -0.0008794100000000, -0.0002822400000000 ] - [ -0.0001000000000000, 0.0000870200000000, -0.0000785700000000 ] - [ -0.0073343300000000, 0.0018071900000000, 0.0222782200000000 ] - [ 0.0029814400000000, -0.0001658300000000, 0.0001650900000000 ] - [ -0.0006784500000000, -0.0005744700000000, -0.0001339800000000 ] - [ -0.0003222500000000, -0.0002282600000000, -0.0017691400000000 ] - [ -0.0017642700000000, 0.0005307500000000, 0.0005684600000000 ] - [ 0.0034312300000000, -0.0006334500000000, -0.0003826000000000 ] - [ -0.0003210500000000, -0.0010768300000000, 0.0002675800000000 ] - [ -0.0000914000000000, 0.0000938400000000, -0.0005242700000000 ] - [ -0.0000038200000000, -0.0002092200000000, 0.0000970100000000 ] - [ 0.0002302800000000, -0.0002482300000000, -0.0000940600000000 ] - [ -0.0005202400000000, 0.0004251700000000, -0.0000286800000000 ] - [ 0.0003978900000000, 0.0000125000000000, -0.0002070800000000 ] - [ -0.0001598300000000, 0.0001473800000000, -0.0001574200000000 ] - [ -0.0002953900000000, -0.0002595000000000, 0.0002154600000000 ] - [ 0.0006735900000000, -0.0005340700000000, 0.0000354400000000 ] - [ 0.0004798600000000, 0.0001277800000000, 0.0002621800000000 ]- atom: 93 displacement: [ -0.0099999639143206, 0.0000000000000000, 0.0000268647033593 ] forces: - [ 0.0001871300000000, -0.0002599000000000, 0.0004515400000000 ] - [ 0.0003903200000000, 0.0001600200000000, -0.0000454900000000 ] - [ 0.0003051000000000, 0.0002513100000000, -0.0000292100000000 ] - [ -0.0026113000000000, -0.0003551400000000, -0.0001849600000000 ] - [ -0.0001376600000000, -0.0002733100000000, -0.0001343600000000 ] - [ -0.0000773200000000, 0.0000718300000000, -0.0000732100000000 ] - [ 0.0000604700000000, 0.0001456300000000, -0.0000504800000000 ] - [ 0.0004252600000000, 0.0002104500000000, 0.0001116100000000 ] - [ -0.0003998800000000, -0.0002351800000000, 0.0000900000000000 ] - [ -0.0000363600000000, 0.0001395600000000, 0.0000419600000000 ] - [ 0.0001329400000000, 0.0001048700000000, -0.0000637100000000 ] - [ 0.0016776100000000, -0.0016199400000000, 0.0012177700000000 ] - [ -0.0031731100000000, 0.0019393800000000, 0.0000531500000000 ] - [ -0.0026934000000000, -0.0005588900000000, 0.0004479100000000 ] - [ -0.0003971700000000, 0.0002036700000000, 0.0000185700000000 ] - [ 0.0001242500000000, 0.0002156000000000, -0.0002793000000000 ] - [ -0.0000506400000000, -0.0001501400000000, 0.0000168300000000 ] - [ -0.0004203700000000, -0.0001517000000000, -0.0001068100000000 ] - [ -0.0016926100000000, 0.0014268000000000, 0.0008244900000000 ] - [ 0.0003799300000000, 0.0002365400000000, 0.0001589600000000 ] - [ 0.0002954400000000, 0.0000826400000000, -0.0000692500000000 ] - [ -0.0000820900000000, 0.0002912100000000, -0.0001980000000000 ] - [ -0.0004730700000000, 0.0000303300000000, 0.0000487100000000 ] - [ 0.0008166900000000, 0.0005010100000000, 0.0002470500000000 ] - [ 0.0011340200000000, -0.0007500500000000, -0.0014987800000000 ] - [ -0.0016762600000000, -0.0010573000000000, 0.0049150800000000 ] - [ 0.0003465700000000, -0.0000996000000000, 0.0001110500000000 ] - [ -0.0003893400000000, 0.0001077200000000, -0.0004800300000000 ] - [ -0.0005347100000000, -0.0007245500000000, 0.0006729600000000 ] - [ -0.0003023800000000, 0.0002742200000000, -0.0013747500000000 ] - [ -0.0003493900000000, 0.0001988600000000, -0.0002997800000000 ] - [ 0.0003573100000000, 0.0007581700000000, 0.0007518600000000 ] - [ -0.0003255000000000, -0.0010525400000000, 0.0029804300000000 ] - [ -0.0001729600000000, 0.0012465300000000, -0.0013882800000000 ] - [ 0.0048988000000000, -0.0003039700000000, 0.0011193000000000 ] - [ -0.0270470500000000, -0.0077766300000000, 0.0150077600000000 ] - [ 0.0002271100000000, 0.0004548600000000, 0.0001431700000000 ] - [ 0.0002081000000000, -0.0002421300000000, 0.0004183000000000 ] - [ 0.0000530100000000, -0.0000198100000000, -0.0001982900000000 ] - [ 0.0027032700000000, -0.0005550400000000, -0.0002006200000000 ] - [ 0.0005120300000000, -0.0002880900000000, 0.0002797300000000 ] - [ -0.0000446300000000, 0.0026897400000000, 0.0016604300000000 ] - [ 0.0003274000000000, 0.0000297400000000, 0.0000392600000000 ] - [ 0.0114059800000000, 0.0056567000000000, -0.0051874800000000 ] - [ -0.0001642600000000, -0.0001137600000000, 0.0001652900000000 ] - [ 0.0002979500000000, 0.0005056800000000, -0.0003551600000000 ] - [ 0.0001616700000000, -0.0013827600000000, -0.0001489200000000 ] - [ -0.0003151700000000, 0.0000680900000000, 0.0004200600000000 ] - [ 0.0014700500000000, 0.0023335300000000, 0.0024394400000000 ] - [ -0.0007604100000000, -0.0001657300000000, -0.0002581100000000 ] - [ 0.0006857900000000, 0.0009755900000000, -0.0015082000000000 ] - [ 0.0000363200000000, 0.0000067400000000, 0.0003108400000000 ] - [ 0.0002808700000000, 0.0003496800000000, -0.0001226700000000 ] - [ 0.0008319700000000, 0.0002231500000000, 0.0004624000000000 ] - [ 0.0001949000000000, 0.0000517700000000, 0.0000284600000000 ] - [ 0.0042243200000000, -0.0033278000000000, -0.0010395900000000 ] - [ -0.0000340600000000, 0.0003259700000000, -0.0000881100000000 ] - [ 0.0022510100000000, -0.0009809500000000, -0.0000526400000000 ] - [ -0.0000854600000000, 0.0003662400000000, -0.0001139100000000 ] - [ -0.0004546500000000, -0.0010494400000000, 0.0002088800000000 ] - [ -0.0001888500000000, 0.0000098100000000, -0.0005408000000000 ] - [ -0.0007790700000000, -0.0008314100000000, -0.0006030000000000 ] - [ 0.0023536400000000, -0.0012726700000000, -0.0002513900000000 ] - [ 0.0003608400000000, -0.0000575900000000, 0.0001170700000000 ] - [ -0.1584048400000000, -0.0422230100000000, -0.0902485900000000 ] - [ 0.0003867600000000, -0.0005519600000000, -0.0001886500000000 ] - [ -0.0001270700000000, 0.0002250500000000, 0.0000930500000000 ] - [ 0.0003776600000000, 0.0003356800000000, 0.0002148300000000 ] - [ 0.0003983500000000, 0.0011881600000000, 0.0012941600000000 ] - [ 0.0005828600000000, 0.0001678700000000, 0.0007873800000000 ] - [ -0.0002875000000000, 0.0000149300000000, 0.0002528200000000 ] - [ -0.0000711400000000, 0.0006381000000000, 0.0000044300000000 ] - [ -0.0000716500000000, -0.0003107400000000, 0.0002308500000000 ] - [ -0.0003497600000000, 0.0000836700000000, 0.0000992500000000 ] - [ -0.0026032400000000, 0.0007437700000000, -0.0018117700000000 ] - [ -0.0000077900000000, -0.0001294100000000, 0.0004969100000000 ] - [ -0.0046457000000000, 0.0002185800000000, -0.0005811000000000 ] - [ 0.0001995600000000, -0.0002158100000000, -0.0001230000000000 ] - [ -0.0002482700000000, -0.0000646800000000, 0.0000908200000000 ] - [ 0.0009769500000000, 0.0002979700000000, -0.0000967200000000 ] - [ 0.0004239600000000, 0.0002641300000000, 0.0000990500000000 ] - [ -0.0000499700000000, -0.0000770300000000, 0.0003882300000000 ] - [ -0.0009770300000000, -0.0000712500000000, -0.0005110500000000 ] - [ -0.0000390800000000, 0.0001142300000000, -0.0001726200000000 ] - [ -0.0003773400000000, -0.0001869000000000, 0.0003761100000000 ] - [ 0.0008124400000000, 0.0006313400000000, 0.0062234500000000 ] - [ 0.0002529000000000, -0.0001809300000000, -0.0001166100000000 ] - [ -0.0050139200000000, 0.0018732200000000, -0.0009212000000000 ] - [ -0.0002200400000000, -0.0001753300000000, 0.0005551300000000 ] - [ 0.0003155900000000, -0.0007035300000000, 0.0000860000000000 ] - [ 0.0000911000000000, 0.0000008300000000, 0.0001138000000000 ] - [ -0.0003272500000000, 0.0003808000000000, 0.0001118000000000 ] - [ 0.2358432600000000, 0.0826822900000000, 0.1033661600000000 ] - [ 0.0002523900000000, 0.0003069300000000, 0.0002177200000000 ] - [ -0.0001230300000000, -0.0005524400000000, 0.0001155600000000 ] - [ 0.0001479800000000, -0.0006909400000000, -0.0001686500000000 ] - [ -0.0005841300000000, 0.0007378700000000, 0.0001070400000000 ] - [ -0.0005447500000000, -0.0008690500000000, -0.0006602500000000 ] - [ -0.0001355600000000, -0.0000592200000000, 0.0002636300000000 ] - [ -0.0002779400000000, 0.0003472000000000, 0.0000225900000000 ] - [ 0.0000390300000000, 0.0002022500000000, -0.0000686400000000 ] - [ -0.0003217400000000, -0.0001031100000000, -0.0002492800000000 ] - [ 0.0002234100000000, -0.0002669300000000, -0.0009970900000000 ] - [ 0.0008702900000000, -0.0002152600000000, 0.0006458400000000 ] - [ -0.0017908700000000, 0.0003509700000000, -0.0002503000000000 ] - [ -0.0001262600000000, 0.0000708300000000, 0.0001775500000000 ] - [ -0.0001300200000000, -0.0000511600000000, -0.0000577900000000 ] - [ 0.0003149600000000, 0.0001825500000000, -0.0004089900000000 ] - [ 0.0002306200000000, -0.0001642800000000, -0.0001581000000000 ] - [ -0.0002329400000000, 0.0001935300000000, 0.0002613500000000 ] - [ -0.0001928100000000, -0.0002433700000000, -0.0000231600000000 ] - [ -0.0009472000000000, -0.0005987400000000, -0.0006911200000000 ] - [ -0.0005231700000000, 0.0004698500000000, -0.0008002400000000 ] - [ -0.0020260100000000, -0.0000468900000000, -0.0031370500000000 ] - [ -0.0001472300000000, -0.0002275900000000, 0.0006659200000000 ] - [ -0.0002453700000000, 0.0012014800000000, 0.0010037400000000 ] - [ 0.0002008300000000, -0.0000536300000000, 0.0000301800000000 ] - [ -0.0025149800000000, 0.0013965500000000, 0.0020350100000000 ] - [ -0.0003184300000000, -0.0007312300000000, -0.0000825800000000 ] - [ 0.0002514300000000, 0.0004105300000000, 0.0001710400000000 ] - [ -0.0011679900000000, -0.0000334200000000, 0.0010844200000000 ] - [ 0.0017342200000000, -0.0025252600000000, 0.0023309500000000 ] - [ -0.0004839700000000, -0.0001719900000000, -0.0000970300000000 ] - [ -0.0000003700000000, 0.0000859200000000, 0.0001567800000000 ] - [ -0.0013421100000000, -0.0000538500000000, -0.0005406000000000 ] - [ -0.0001559100000000, -0.0004148900000000, -0.0007243600000000 ] - [ 0.0000494100000000, -0.0004247900000000, -0.0006124300000000 ] - [ -0.0029247000000000, 0.0009446000000000, 0.0009512500000000 ] - [ 0.0004428500000000, -0.0000045300000000, 0.0000514800000000 ] - [ 0.0013459200000000, 0.0001290000000000, -0.0003529400000000 ] - [ -0.0001677800000000, -0.0000881500000000, 0.0001417700000000 ] - [ -0.0522798800000000, -0.0385668500000000, -0.0116170900000000 ] - [ -0.0021919000000000, 0.0023728700000000, 0.0018720400000000 ] - [ -0.0000791900000000, 0.0003273500000000, -0.0002053400000000 ] - [ -0.0014110700000000, 0.0004054800000000, -0.0000077700000000 ] - [ 0.0000392200000000, 0.0014711100000000, -0.0006736300000000 ] - [ -0.0010738300000000, -0.0002036200000000, 0.0008143700000000 ] - [ 0.0003234300000000, -0.0018162200000000, 0.0001307800000000 ] - [ 0.0014894600000000, 0.0004825800000000, -0.0000653800000000 ] - [ -0.0010128100000000, -0.0005879600000000, -0.0002437800000000 ] - [ -0.0002341200000000, -0.0004523800000000, 0.0001174600000000 ] - [ -0.0004479000000000, -0.0001068300000000, -0.0002712900000000 ] - [ -0.0001150100000000, -0.0001589400000000, -0.0003456300000000 ] - [ -0.0006062400000000, 0.0003347300000000, 0.0001816900000000 ] - [ 0.0007015000000000, 0.0004754200000000, 0.0001484800000000 ] - [ 0.0002826900000000, -0.0000028600000000, -0.0001072200000000 ] - [ -0.0001874900000000, 0.0000512900000000, -0.0001437200000000 ] - [ 0.0026855400000000, 0.0014679500000000, -0.0019527700000000 ] - [ 0.0013284200000000, -0.0020478500000000, -0.0043861600000000 ] - [ -0.0004895800000000, -0.0020634300000000, 0.0003913400000000 ] - [ 0.0000720400000000, -0.0006447100000000, -0.0009251300000000 ] - [ 0.0000636500000000, -0.0000142500000000, -0.0002125000000000 ] - [ 0.0011030500000000, -0.0002442500000000, 0.0001456800000000 ] - [ -0.0004347800000000, 0.0000980500000000, -0.0007806600000000 ] - [ -0.0009499000000000, -0.0006507900000000, 0.0005990100000000 ] - [ -0.0000632800000000, -0.0000013200000000, 0.0002443700000000 ] - [ -0.0008023200000000, -0.0013820500000000, -0.0002367800000000 ] - [ 0.0006607800000000, -0.0007486800000000, 0.0008891800000000 ] - [ 0.0000321100000000, 0.0003407400000000, -0.0003046900000000 ] - [ 0.0003783000000000, -0.0003238500000000, -0.0002530900000000 ] - [ 0.0072240100000000, -0.0017925700000000, -0.0232955600000000 ] - [ -0.0031308700000000, 0.0013396600000000, 0.0001624300000000 ] - [ 0.0004663300000000, 0.0009124300000000, 0.0000153800000000 ] - [ 0.0007142900000000, 0.0002951800000000, 0.0013650700000000 ] - [ 0.0012840900000000, -0.0004282500000000, -0.0003153800000000 ] - [ -0.0036796400000000, 0.0007635400000000, 0.0008061500000000 ] - [ 0.0001928000000000, 0.0011017900000000, 0.0005598100000000 ] - [ 0.0003713300000000, 0.0001425200000000, 0.0001968300000000 ] - [ 0.0002217700000000, -0.0001222500000000, 0.0000199500000000 ] - [ 0.0007327900000000, -0.0003354300000000, -0.0000379400000000 ] - [ -0.0004422400000000, 0.0001617500000000, 0.0001609400000000 ] - [ 0.0001532100000000, -0.0001825500000000, -0.0002659700000000 ] - [ -0.0001653200000000, -0.0000077400000000, -0.0001751300000000 ] - [ -0.0002740700000000, 0.0002299100000000, -0.0007890100000000 ] - [ -0.0002899000000000, -0.0003301800000000, 0.0000241400000000 ] - [ 0.0000737000000000, 0.0000444400000000, -0.0007346500000000 ]- atom: 93 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000803200000000, 0.0002813400000000, -0.0000564200000000 ] - [ -0.0000306900000000, -0.0002481000000000, 0.0000247600000000 ] - [ 0.0002692600000000, -0.0005711400000000, -0.0001481700000000 ] - [ 0.0010161500000000, 0.0004488400000000, 0.0005201700000000 ] - [ -0.0000616800000000, -0.0006440400000000, -0.0000142100000000 ] - [ -0.0000879900000000, -0.0005040100000000, -0.0000940400000000 ] - [ -0.0000908000000000, -0.0001567700000000, 0.0000286100000000 ] - [ 0.0004247500000000, 0.0000035300000000, 0.0000893500000000 ] - [ 0.0002254700000000, 0.0000724300000000, -0.0005503000000000 ] - [ -0.0000470100000000, -0.0002204100000000, 0.0000756300000000 ] - [ 0.0000701900000000, 0.0006885200000000, 0.0001354000000000 ] - [ 0.0002246200000000, 0.0011707800000000, -0.0003597100000000 ] - [ -0.0025867500000000, 0.0047576700000000, 0.0000077600000000 ] - [ 0.0006938800000000, 0.0033786000000000, -0.0011210500000000 ] - [ -0.0000472000000000, -0.0006457200000000, 0.0000006600000000 ] - [ -0.0004159800000000, 0.0002664900000000, 0.0003595000000000 ] - [ -0.0000523400000000, -0.0005208000000000, -0.0000447500000000 ] - [ -0.0004188300000000, -0.0004314300000000, -0.0001660100000000 ] - [ -0.0006662000000000, -0.0007663400000000, -0.0016134900000000 ] - [ -0.0000221500000000, 0.0003258500000000, -0.0001203200000000 ] - [ 0.0002944200000000, 0.0000961800000000, -0.0000343800000000 ] - [ -0.0000125000000000, -0.0001049100000000, -0.0001772800000000 ] - [ -0.0001612600000000, -0.0005891500000000, 0.0003769200000000 ] - [ -0.0003117400000000, 0.0002226200000000, 0.0000361200000000 ] - [ -0.0001874700000000, 0.0012557100000000, 0.0005364800000000 ] - [ 0.0005401700000000, 0.0009384100000000, -0.0007464800000000 ] - [ -0.0005331700000000, -0.0014511400000000, 0.0008456300000000 ] - [ -0.0001896000000000, -0.0010721200000000, -0.0004332400000000 ] - [ 0.0005886200000000, -0.0016936500000000, 0.0006988500000000 ] - [ -0.0000045500000000, -0.0000589800000000, 0.0007992200000000 ] - [ 0.0000086200000000, -0.0001605500000000, -0.0003646800000000 ] - [ 0.0000251900000000, -0.0003599300000000, -0.0003722000000000 ] - [ 0.0008083600000000, 0.0020455400000000, 0.0016627100000000 ] - [ -0.0007067600000000, -0.0012153700000000, 0.0001426000000000 ] - [ -0.0008243600000000, 0.0024045600000000, 0.0004687100000000 ] - [ 0.0072158200000000, 0.0133422700000000, -0.0050463100000000 ] - [ 0.0000831900000000, -0.0009039100000000, -0.0003336600000000 ] - [ 0.0002523100000000, -0.0001512300000000, -0.0004131700000000 ] - [ -0.0001099400000000, -0.0011622000000000, -0.0000827000000000 ] - [ 0.0001328600000000, 0.0002185200000000, -0.0012133700000000 ] - [ -0.0000218200000000, 0.0005325900000000, 0.0004600200000000 ] - [ -0.0012524700000000, -0.0023577000000000, -0.0019892700000000 ] - [ 0.0000663000000000, -0.0012545300000000, 0.0000865000000000 ] - [ -0.0055246600000000, -0.0027133800000000, 0.0031028600000000 ] - [ -0.0001181500000000, -0.0006285100000000, 0.0000699400000000 ] - [ 0.0003921500000000, -0.0008214800000000, -0.0004775900000000 ] - [ 0.0012751600000000, -0.0005218100000000, -0.0009051200000000 ] - [ -0.0000890700000000, -0.0015018200000000, 0.0003585000000000 ] - [ -0.0047564200000000, 0.0030883800000000, -0.0005214300000000 ] - [ 0.0000647600000000, 0.0009878800000000, -0.0001153600000000 ] - [ -0.0010297000000000, -0.0012193200000000, 0.0012679600000000 ] - [ 0.0003922100000000, -0.0003085000000000, 0.0001556300000000 ] - [ 0.0001502900000000, -0.0000201700000000, -0.0001518300000000 ] - [ -0.0001746800000000, 0.0008427200000000, -0.0003039900000000 ] - [ 0.0000508400000000, -0.0011170700000000, -0.0000296000000000 ] - [ -0.0012790300000000, 0.0016273900000000, 0.0002136400000000 ] - [ 0.0000399200000000, -0.0005892300000000, -0.0000963300000000 ] - [ 0.0002342700000000, -0.0003584100000000, 0.0000360800000000 ] - [ -0.0000565800000000, -0.0004639900000000, -0.0000497100000000 ] - [ 0.0004177000000000, 0.0002244600000000, 0.0002222900000000 ] - [ -0.0000188700000000, -0.0000366400000000, -0.0005399100000000 ] - [ 0.0000047600000000, -0.0004111600000000, -0.0002979400000000 ] - [ 0.0025557600000000, 0.0039898600000000, 0.0004600700000000 ] - [ -0.0003942700000000, -0.0010657300000000, -0.0001355400000000 ] - [ 0.0446530700000000, 0.0726735300000000, 0.0385562500000000 ] - [ 0.0007755300000000, -0.0007435000000000, 0.0006236000000000 ] - [ 0.0001376400000000, -0.0005604600000000, -0.0000911000000000 ] - [ -0.0002173400000000, 0.0003928400000000, -0.0006973100000000 ] - [ -0.0001844900000000, -0.0003244500000000, -0.0005656800000000 ] - [ 0.0003639200000000, 0.0008171100000000, -0.0002412000000000 ] - [ -0.0005844500000000, -0.0004597700000000, 0.0005263000000000 ] - [ 0.0001742100000000, -0.0002133300000000, 0.0000117300000000 ] - [ -0.0003502700000000, -0.0007478300000000, 0.0004339400000000 ] - [ -0.0002725400000000, 0.0001148300000000, 0.0006099100000000 ] - [ 0.0003662100000000, 0.0004817600000000, -0.0002112900000000 ] - [ -0.0000322200000000, -0.0001723200000000, 0.0005788700000000 ] - [ -0.0018592600000000, -0.0021546000000000, 0.0002556800000000 ] - [ 0.0000459900000000, -0.0008351400000000, -0.0001470300000000 ] - [ 0.0000554900000000, -0.0015748500000000, 0.0000273700000000 ] - [ -0.0009011200000000, 0.0005817800000000, 0.0000469500000000 ] - [ 0.0003305800000000, 0.0008077100000000, 0.0000948400000000 ] - [ -0.0001056900000000, 0.0002517700000000, 0.0005237000000000 ] - [ -0.0005938500000000, -0.0007138500000000, 0.0000959000000000 ] - [ -0.0002298900000000, 0.0008728000000000, -0.0001063400000000 ] - [ 0.0001932900000000, -0.0001326600000000, 0.0001762900000000 ] - [ -0.0002038800000000, 0.0001239200000000, -0.0013625900000000 ] - [ 0.0003092300000000, -0.0001175600000000, -0.0002322200000000 ] - [ 0.0021944700000000, -0.0010109400000000, 0.0004139400000000 ] - [ -0.0000812600000000, 0.0001354200000000, -0.0002604500000000 ] - [ 0.0002927900000000, 0.0003432200000000, -0.0000011800000000 ] - [ 0.0001867100000000, 0.0004042200000000, 0.0001171600000000 ] - [ -0.0000766800000000, 0.0010694700000000, 0.0002243700000000 ] - [ -0.0849853700000000, -0.0778303300000000, -0.0390372400000000 ] - [ -0.0009059100000000, 0.0009100800000000, 0.0004054600000000 ] - [ -0.0000651500000000, -0.0002912500000000, 0.0001715100000000 ] - [ 0.0001134500000000, -0.0000188000000000, -0.0001757400000000 ] - [ 0.0004328700000000, -0.0003741400000000, 0.0001421900000000 ] - [ 0.0001592300000000, -0.0007149600000000, 0.0003317400000000 ] - [ -0.0001047200000000, 0.0004639500000000, 0.0000181900000000 ] - [ -0.0002424700000000, 0.0008204300000000, -0.0001426900000000 ] - [ -0.0000998000000000, 0.0000862300000000, 0.0000327800000000 ] - [ -0.0003578900000000, 0.0005097600000000, -0.0003362400000000 ] - [ 0.0002003300000000, -0.0004259600000000, 0.0003912200000000 ] - [ -0.0002171900000000, -0.0013625000000000, 0.0000864900000000 ] - [ -0.0010350100000000, -0.0015223600000000, -0.0002142000000000 ] - [ -0.0003222500000000, 0.0002749100000000, 0.0001697400000000 ] - [ -0.0001760400000000, 0.0004801800000000, -0.0000597500000000 ] - [ 0.0001689500000000, 0.0005721900000000, -0.0004246800000000 ] - [ -0.0000785200000000, 0.0003336100000000, 0.0000137800000000 ] - [ -0.0002490100000000, 0.0008906200000000, 0.0004939100000000 ] - [ -0.0001542200000000, -0.0000204000000000, 0.0001163400000000 ] - [ 0.0005160900000000, 0.0003807700000000, 0.0006230300000000 ] - [ 0.0002074900000000, -0.0003670900000000, -0.0000657300000000 ] - [ 0.0008649900000000, -0.0031364000000000, 0.0000120700000000 ] - [ -0.0002143900000000, -0.0002634100000000, 0.0004019900000000 ] - [ -0.0000853600000000, 0.0005323400000000, 0.0006163000000000 ] - [ 0.0004220700000000, 0.0004291500000000, 0.0001495700000000 ] - [ 0.0001553400000000, -0.0029912400000000, -0.0010933100000000 ] - [ -0.0000495000000000, 0.0004720000000000, -0.0001389900000000 ] - [ 0.0000375900000000, -0.0002492300000000, -0.0000464100000000 ] - [ 0.0004317700000000, 0.0002291700000000, -0.0007281000000000 ] - [ 0.0003482500000000, -0.0001948600000000, -0.0012307100000000 ] - [ -0.0001564500000000, 0.0004018900000000, 0.0000272900000000 ] - [ 0.0000221800000000, 0.0006769700000000, 0.0001499000000000 ] - [ -0.0003640500000000, -0.0002795200000000, -0.0005496400000000 ] - [ 0.0000728300000000, 0.0003975800000000, 0.0005811800000000 ] - [ -0.0001107900000000, 0.0003017900000000, -0.0001551300000000 ] - [ 0.0005607500000000, -0.0014761700000000, 0.0003957700000000 ] - [ 0.0006091200000000, 0.0004546300000000, 0.0000664600000000 ] - [ 0.0003492800000000, -0.0001641900000000, 0.0001957600000000 ] - [ -0.0002571000000000, 0.0000395700000000, -0.0001136200000000 ] - [ 0.0397443800000000, 0.0012514900000000, 0.0059171100000000 ] - [ -0.0040545900000000, -0.0015282700000000, 0.0028564100000000 ] - [ 0.0001077300000000, 0.0014310900000000, -0.0000622900000000 ] - [ -0.0002417300000000, -0.0003708900000000, 0.0002021100000000 ] - [ 0.0000256700000000, -0.0002679300000000, -0.0000012300000000 ] - [ 0.0007095500000000, 0.0004670400000000, -0.0004076500000000 ] - [ 0.0014581400000000, 0.0021615300000000, -0.0004908000000000 ] - [ 0.0005105300000000, 0.0018861000000000, -0.0001678600000000 ] - [ 0.0001110400000000, 0.0005541400000000, 0.0002717600000000 ] - [ -0.0002455000000000, 0.0003183300000000, 0.0000593800000000 ] - [ -0.0000467300000000, 0.0001764600000000, 0.0000653200000000 ] - [ 0.0000013700000000, 0.0009142200000000, -0.0001358400000000 ] - [ -0.0005913300000000, 0.0007424200000000, -0.0000544400000000 ] - [ -0.0004452200000000, 0.0018208200000000, 0.0008657500000000 ] - [ 0.0005253100000000, 0.0006199800000000, -0.0002560900000000 ] - [ -0.0000353700000000, -0.0002534400000000, 0.0004367100000000 ] - [ -0.0004516400000000, 0.0020589900000000, -0.0036113300000000 ] - [ 0.0027588000000000, -0.0005346900000000, 0.0062703300000000 ] - [ 0.0004677600000000, 0.0009800700000000, 0.0002206300000000 ] - [ 0.0000905000000000, 0.0005033800000000, 0.0004015000000000 ] - [ 0.0001685100000000, 0.0004964300000000, -0.0003889500000000 ] - [ 0.0002348700000000, 0.0002184200000000, 0.0001160300000000 ] - [ -0.0000950200000000, 0.0000675500000000, 0.0001373900000000 ] - [ 0.0011164600000000, 0.0009762200000000, -0.0005807900000000 ] - [ -0.0001134100000000, 0.0005759500000000, 0.0000340500000000 ] - [ 0.0018003200000000, -0.0011807700000000, 0.0002752900000000 ] - [ 0.0007878700000000, 0.0008811200000000, -0.0013983400000000 ] - [ -0.0008374000000000, -0.0003224100000000, -0.0012157400000000 ] - [ 0.0003400300000000, 0.0007949600000000, 0.0000349300000000 ] - [ 0.0002822200000000, -0.0174118700000000, -0.0007772400000000 ] - [ -0.0001240100000000, -0.0004664600000000, -0.0007646200000000 ] - [ -0.0004101300000000, -0.0002713500000000, -0.0003031400000000 ] - [ 0.0001735500000000, -0.0004703900000000, -0.0004949200000000 ] - [ -0.0000518600000000, -0.0006871700000000, -0.0002047800000000 ] - [ 0.0007561800000000, -0.0015841100000000, -0.0002818700000000 ] - [ -0.0002343400000000, 0.0008921500000000, 0.0005689800000000 ] - [ 0.0002886600000000, -0.0003119100000000, 0.0000652200000000 ] - [ 0.0001467100000000, 0.0006951200000000, -0.0000140800000000 ] - [ 0.0001831400000000, 0.0005348000000000, -0.0000369700000000 ] - [ -0.0004948100000000, 0.0007145300000000, -0.0000957400000000 ] - [ 0.0000861100000000, 0.0005037000000000, -0.0002135500000000 ] - [ -0.0002054000000000, 0.0008923600000000, -0.0001884100000000 ] - [ -0.0005269000000000, 0.0001356100000000, -0.0010211700000000 ] - [ 0.0000116500000000, -0.0000769600000000, 0.0001522000000000 ] - [ 0.0001771000000000, -0.0000002100000000, -0.0003871800000000 ]- atom: 93 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001113000000000, -0.0005026400000000, 0.0002454500000000 ] - [ -0.0000994800000000, 0.0006928600000000, -0.0000777600000000 ] - [ 0.0003475900000000, 0.0005635300000000, 0.0000049200000000 ] - [ -0.0008444900000000, -0.0013379700000000, -0.0001949600000000 ] - [ -0.0000310000000000, -0.0000223700000000, -0.0002625400000000 ] - [ -0.0001027600000000, 0.0002876500000000, -0.0000931700000000 ] - [ -0.0000987900000000, 0.0003759400000000, -0.0002144100000000 ] - [ 0.0004444800000000, 0.0003353900000000, 0.0001314600000000 ] - [ -0.0001669700000000, -0.0001863500000000, 0.0004358800000000 ] - [ -0.0000129000000000, 0.0003310700000000, 0.0000412700000000 ] - [ 0.0000222300000000, -0.0000252100000000, 0.0001425500000000 ] - [ -0.0000831400000000, -0.0016277900000000, 0.0004109600000000 ] - [ 0.0032691500000000, -0.0049696200000000, 0.0001982100000000 ] - [ -0.0007019000000000, -0.0032987400000000, 0.0010646300000000 ] - [ -0.0000144800000000, 0.0005373100000000, 0.0001154400000000 ] - [ -0.0001976500000000, -0.0002741700000000, -0.0002156000000000 ] - [ -0.0000801400000000, 0.0000770200000000, -0.0000075100000000 ] - [ -0.0004510300000000, 0.0000922400000000, -0.0000534900000000 ] - [ -0.0002134800000000, 0.0011134500000000, 0.0013879600000000 ] - [ 0.0001555400000000, 0.0001167300000000, 0.0001748700000000 ] - [ 0.0003220300000000, -0.0000844500000000, -0.0001093500000000 ] - [ -0.0000797800000000, 0.0007722700000000, -0.0001006600000000 ] - [ -0.0004563000000000, 0.0006037000000000, -0.0002367600000000 ] - [ 0.0005044500000000, -0.0000059500000000, 0.0001515000000000 ] - [ 0.0006958000000000, -0.0015891900000000, 0.0003588400000000 ] - [ -0.0004705500000000, -0.0014283300000000, 0.0011086500000000 ] - [ 0.0001444600000000, 0.0004281800000000, -0.0001836700000000 ] - [ -0.0003206200000000, 0.0007503300000000, -0.0004729400000000 ] - [ -0.0006736700000000, 0.0021665600000000, -0.0009729800000000 ] - [ 0.0001855000000000, 0.0003713200000000, -0.0016674100000000 ] - [ -0.0001926400000000, 0.0004856800000000, 0.0012157100000000 ] - [ 0.0000898100000000, 0.0007375900000000, 0.0004502900000000 ] - [ -0.0011965100000000, -0.0010159800000000, -0.0009819300000000 ] - [ 0.0001971000000000, 0.0015473500000000, -0.0010491400000000 ] - [ 0.0007225100000000, -0.0027793400000000, -0.0005393400000000 ] - [ -0.0071603300000000, -0.0138325700000000, 0.0042632500000000 ] - [ 0.0002924400000000, 0.0010913500000000, 0.0002353400000000 ] - [ 0.0001376800000000, -0.0008655300000000, -0.0002464100000000 ] - [ 0.0000254700000000, 0.0006873000000000, -0.0001987300000000 ] - [ 0.0002527400000000, -0.0004002600000000, 0.0011065200000000 ] - [ -0.0000879500000000, -0.0001709400000000, -0.0005424700000000 ] - [ 0.0017716000000000, 0.0026898200000000, 0.0029182600000000 ] - [ 0.0000476900000000, 0.0008868200000000, -0.0000097300000000 ] - [ 0.0051971600000000, 0.0029142600000000, -0.0030219400000000 ] - [ -0.0002560600000000, 0.0004414700000000, 0.0000325000000000 ] - [ -0.0000041500000000, 0.0018543500000000, -0.0001874400000000 ] - [ -0.0011994500000000, 0.0009974000000000, 0.0011991300000000 ] - [ -0.0000939200000000, 0.0011871100000000, 0.0004997200000000 ] - [ 0.0044286600000000, -0.0035722900000000, 0.0004758200000000 ] - [ -0.0000092300000000, -0.0006021200000000, 0.0002772000000000 ] - [ 0.0014765000000000, 0.0013058800000000, -0.0019797100000000 ] - [ -0.0000999800000000, 0.0001654800000000, 0.0003893000000000 ] - [ 0.0002637600000000, 0.0006935100000000, -0.0000778400000000 ] - [ -0.0002251000000000, -0.0001641200000000, 0.0005307000000000 ] - [ 0.0002802300000000, 0.0006416300000000, 0.0000778800000000 ] - [ 0.0015807400000000, -0.0024036900000000, -0.0006764000000000 ] - [ -0.0000113700000000, 0.0011948700000000, -0.0001180300000000 ] - [ 0.0001872700000000, -0.0003171700000000, -0.0002641000000000 ] - [ -0.0000072000000000, 0.0008458600000000, -0.0001130500000000 ] - [ -0.0004473600000000, -0.0008435300000000, -0.0000085200000000 ] - [ -0.0002738000000000, 0.0001793800000000, -0.0000013800000000 ] - [ 0.0002867600000000, 0.0005495300000000, 0.0008338800000000 ] - [ -0.0025914600000000, -0.0034084100000000, -0.0002464700000000 ] - [ -0.0000184000000000, 0.0003941700000000, 0.0003654800000000 ] - [ -0.0444893400000000, -0.0735131500000000, -0.0386334000000000 ] - [ -0.0005268000000000, 0.0004870200000000, -0.0007709400000000 ] - [ -0.0003948300000000, 0.0008243800000000, 0.0002301800000000 ] - [ 0.0005092100000000, 0.0003743400000000, 0.0002426800000000 ] - [ -0.0001048400000000, 0.0010972700000000, 0.0010281500000000 ] - [ -0.0001043800000000, -0.0005573400000000, 0.0001123500000000 ] - [ 0.0001496800000000, 0.0003836300000000, 0.0001714000000000 ] - [ 0.0001547700000000, 0.0006972400000000, 0.0000358800000000 ] - [ 0.0000601200000000, -0.0000208900000000, 0.0000246900000000 ] - [ -0.0001668000000000, -0.0000351300000000, 0.0000895000000000 ] - [ 0.0000472900000000, -0.0005508800000000, -0.0004997200000000 ] - [ -0.0002214400000000, -0.0000862600000000, -0.0004364700000000 ] - [ 0.0017653400000000, 0.0017718000000000, -0.0004171600000000 ] - [ -0.0000164300000000, 0.0002330900000000, -0.0000677000000000 ] - [ 0.0000083000000000, 0.0012023200000000, 0.0001360400000000 ] - [ 0.0005718300000000, -0.0001088100000000, -0.0000960400000000 ] - [ 0.0001928900000000, -0.0000235600000000, -0.0000336300000000 ] - [ -0.0000271000000000, -0.0002712800000000, 0.0003284900000000 ] - [ 0.0000226400000000, 0.0005155200000000, 0.0003610700000000 ] - [ -0.0000641600000000, -0.0001231000000000, -0.0001366000000000 ] - [ -0.0001144900000000, 0.0000609800000000, 0.0004893800000000 ] - [ 0.0006833800000000, -0.0000421300000000, 0.0016138300000000 ] - [ 0.0001520600000000, 0.0000277700000000, -0.0000138600000000 ] - [ -0.0027498900000000, 0.0010964500000000, -0.0006197700000000 ] - [ -0.0003011400000000, -0.0002156300000000, 0.0006402400000000 ] - [ 0.0002304300000000, -0.0011334600000000, 0.0000618100000000 ] - [ 0.0000604600000000, -0.0002685700000000, 0.0001749000000000 ] - [ -0.0001766300000000, -0.0000006400000000, 0.0001255800000000 ] - [ 0.0842230700000000, 0.0796214200000000, 0.0395071500000000 ] - [ 0.0014965500000000, -0.0009473500000000, 0.0001810300000000 ] - [ -0.0000854900000000, -0.0008991200000000, 0.0001642100000000 ] - [ 0.0001123500000000, -0.0010893400000000, -0.0001909500000000 ] - [ -0.0001411400000000, 0.0011351700000000, 0.0001023900000000 ] - [ -0.0000135500000000, -0.0004824000000000, -0.0006672900000000 ] - [ -0.0002783300000000, -0.0003888400000000, 0.0003649900000000 ] - [ -0.0001631000000000, 0.0000535500000000, 0.0000938100000000 ] - [ 0.0002334600000000, -0.0000671800000000, -0.0008895700000000 ] - [ -0.0002186100000000, -0.0004830900000000, -0.0002518900000000 ] - [ 0.0003746200000000, 0.0004502700000000, 0.0001795100000000 ] - [ 0.0000052100000000, 0.0002521500000000, 0.0002782600000000 ] - [ 0.0012895900000000, 0.0004584900000000, -0.0001354100000000 ] - [ 0.0000580600000000, -0.0001617000000000, 0.0000335400000000 ] - [ -0.0002915600000000, -0.0004106400000000, -0.0001308100000000 ] - [ 0.0003146800000000, -0.0000707300000000, -0.0004154700000000 ] - [ 0.0003433500000000, -0.0004477000000000, -0.0002186900000000 ] - [ -0.0000789000000000, -0.0003450000000000, 0.0000951300000000 ] - [ -0.0001745500000000, -0.0005302600000000, 0.0004721500000000 ] - [ 0.0000256400000000, -0.0004667800000000, -0.0004186900000000 ] - [ 0.0001178300000000, 0.0009170900000000, -0.0005289000000000 ] - [ -0.0007865200000000, 0.0032186500000000, 0.0006463100000000 ] - [ -0.0002689300000000, -0.0002379500000000, 0.0004378600000000 ] - [ 0.0003449400000000, -0.0004176200000000, -0.0008124700000000 ] - [ 0.0001226900000000, -0.0003476400000000, 0.0000549400000000 ] - [ 0.0001463500000000, 0.0031074200000000, 0.0014296800000000 ] - [ -0.0002458900000000, -0.0012294900000000, -0.0001045300000000 ] - [ 0.0002785800000000, 0.0001575600000000, 0.0003819200000000 ] - [ -0.0009560800000000, 0.0005613800000000, 0.0006714800000000 ] - [ -0.0006292500000000, -0.0000445400000000, 0.0015744500000000 ] - [ -0.0001623700000000, -0.0005064800000000, -0.0003601900000000 ] - [ 0.0001796200000000, -0.0003518100000000, -0.0000284300000000 ] - [ -0.0000454800000000, -0.0005964500000000, 0.0004951000000000 ] - [ -0.0003222900000000, -0.0005347100000000, -0.0008803000000000 ] - [ 0.0000310300000000, -0.0003833000000000, -0.0005083000000000 ] - [ -0.0008147000000000, 0.0016145700000000, -0.0006836800000000 ] - [ 0.0003430200000000, -0.0003031300000000, 0.0000607200000000 ] - [ 0.0005960100000000, 0.0007238600000000, -0.0003270500000000 ] - [ -0.0002105900000000, -0.0001137300000000, -0.0000770000000000 ] - [ -0.0397767500000000, -0.0016064300000000, -0.0056754100000000 ] - [ 0.0038733100000000, 0.0012174800000000, -0.0030027600000000 ] - [ 0.0000427000000000, -0.0002437900000000, -0.0002741000000000 ] - [ -0.0007164900000000, 0.0005237800000000, -0.0003271000000000 ] - [ 0.0002228400000000, 0.0013564600000000, -0.0003533700000000 ] - [ 0.0002383400000000, -0.0006200200000000, 0.0005352200000000 ] - [ -0.0010882400000000, -0.0022545700000000, 0.0001101700000000 ] - [ -0.0002774400000000, -0.0007784000000000, -0.0001985600000000 ] - [ -0.0010645100000000, -0.0007082400000000, -0.0004006200000000 ] - [ -0.0000075000000000, -0.0013918500000000, 0.0002904500000000 ] - [ -0.0004995500000000, -0.0002581000000000, -0.0002727500000000 ] - [ -0.0000810100000000, -0.0008421000000000, -0.0005283300000000 ] - [ 0.0000269800000000, -0.0005502700000000, 0.0005203400000000 ] - [ 0.0002216500000000, -0.0007218800000000, -0.0005065600000000 ] - [ -0.0000680500000000, -0.0005382900000000, 0.0000129600000000 ] - [ -0.0001978300000000, 0.0001075600000000, -0.0000044500000000 ] - [ -0.0004804400000000, -0.0026081400000000, 0.0036997900000000 ] - [ -0.0032853600000000, -0.0002453000000000, -0.0063830900000000 ] - [ -0.0002232500000000, -0.0011258900000000, 0.0000739200000000 ] - [ 0.0001414800000000, -0.0006554100000000, -0.0008368200000000 ] - [ 0.0000636600000000, -0.0003494600000000, -0.0000454300000000 ] - [ 0.0002528100000000, -0.0007220400000000, -0.0009497700000000 ] - [ 0.0004875800000000, 0.0007986500000000, -0.0000972400000000 ] - [ -0.0015841700000000, -0.0010682400000000, 0.0008305800000000 ] - [ -0.0001764300000000, -0.0003554500000000, 0.0003012700000000 ] - [ -0.0015099900000000, 0.0004300800000000, -0.0000337200000000 ] - [ -0.0003253600000000, -0.0009573100000000, 0.0016058700000000 ] - [ 0.0011756500000000, -0.0002227300000000, 0.0006394200000000 ] - [ -0.0000513700000000, -0.0010211600000000, -0.0003702800000000 ] - [ -0.0002744800000000, 0.0173620500000000, -0.0003929700000000 ] - [ -0.0000394800000000, 0.0016574300000000, 0.0010983700000000 ] - [ 0.0002127300000000, 0.0006140300000000, 0.0001820100000000 ] - [ 0.0002152600000000, 0.0005492000000000, 0.0001268500000000 ] - [ -0.0003963500000000, 0.0007664800000000, 0.0004466500000000 ] - [ -0.0009945200000000, 0.0017366300000000, 0.0007191800000000 ] - [ 0.0001008400000000, -0.0008680800000000, 0.0002853500000000 ] - [ 0.0000054400000000, 0.0005288800000000, -0.0003962700000000 ] - [ 0.0000555300000000, -0.0010251900000000, 0.0001339800000000 ] - [ 0.0007567100000000, -0.0011058800000000, -0.0000918600000000 ] - [ -0.0004423300000000, -0.0001489800000000, 0.0002253400000000 ] - [ 0.0004819100000000, -0.0007029200000000, -0.0002479600000000 ] - [ -0.0001112100000000, -0.0007944600000000, -0.0001454000000000 ] - [ -0.0000514900000000, -0.0001652700000000, 0.0004253900000000 ] - [ 0.0003945800000000, -0.0007996300000000, -0.0001035400000000 ] - [ 0.0003875400000000, 0.0001935000000000, -0.0000783500000000 ]- atom: 93 displacement: [ -0.0035230240541542, 0.0000000000000000, 0.0093588621911988 ] forces: - [ -0.0005878300000000, -0.0001679400000000, -0.0010151000000000 ] - [ 0.0000295300000000, 0.0001937700000000, 0.0002496500000000 ] - [ 0.0002771300000000, 0.0000577100000000, 0.0001827800000000 ] - [ -0.0010095000000000, 0.0004035400000000, 0.0034977500000000 ] - [ -0.0000134700000000, -0.0001487700000000, -0.0004094700000000 ] - [ -0.0000833400000000, -0.0001105700000000, 0.0000055300000000 ] - [ -0.0001196900000000, 0.0001929500000000, -0.0002689000000000 ] - [ 0.0004432700000000, 0.0001645900000000, -0.0001934100000000 ] - [ 0.0000735600000000, -0.0010392400000000, -0.0010821200000000 ] - [ 0.0000090500000000, 0.0000710700000000, -0.0001226000000000 ] - [ 0.0008955700000000, 0.0001293600000000, -0.0012086700000000 ] - [ -0.0016919900000000, 0.0000480200000000, 0.0006059500000000 ] - [ -0.0006943400000000, 0.0003450000000000, 0.0027702900000000 ] - [ -0.0015738200000000, -0.0010616300000000, 0.0046923400000000 ] - [ -0.0001161400000000, -0.0000594100000000, 0.0004359400000000 ] - [ 0.0008480300000000, 0.0006730100000000, -0.0007784300000000 ] - [ -0.0000921300000000, -0.0001973700000000, -0.0001790500000000 ] - [ -0.0003977400000000, -0.0002521700000000, -0.0002470400000000 ] - [ -0.0012948000000000, -0.0019618300000000, -0.0000215000000000 ] - [ 0.0000542500000000, -0.0000414000000000, -0.0004742300000000 ] - [ 0.0003907000000000, 0.0002442100000000, -0.0008739700000000 ] - [ -0.0000533400000000, 0.0002546800000000, -0.0000043600000000 ] - [ -0.0004369300000000, 0.0003074100000000, 0.0002439900000000 ] - [ 0.0004003100000000, 0.0001463700000000, 0.0008875100000000 ] - [ 0.0019910200000000, -0.0000063200000000, -0.0031310000000000 ] - [ 0.0013475100000000, 0.0001902400000000, -0.0156613400000000 ] - [ 0.0000084200000000, 0.0000937400000000, 0.0006081700000000 ] - [ -0.0003005700000000, -0.0001793300000000, -0.0004926400000000 ] - [ -0.0013835600000000, 0.0017333200000000, 0.0007303300000000 ] - [ 0.0007302600000000, 0.0018769600000000, -0.0017038900000000 ] - [ 0.0003289400000000, -0.0011908800000000, -0.0001960200000000 ] - [ -0.0000934700000000, -0.0004815800000000, -0.0003719700000000 ] - [ -0.0028467400000000, 0.0022272600000000, -0.0014711700000000 ] - [ 0.0008432000000000, 0.0017242500000000, -0.0003237300000000 ] - [ 0.0004400300000000, 0.0005136600000000, 0.0013678300000000 ] - [ -0.0212264400000000, -0.0067704700000000, 0.0270207700000000 ] - [ 0.0000343100000000, -0.0002793900000000, -0.0004145700000000 ] - [ -0.0002387500000000, -0.0019150500000000, -0.0028011600000000 ] - [ 0.0000426700000000, -0.0002501000000000, -0.0003685300000000 ] - [ 0.0009893400000000, -0.0012773500000000, 0.0004651500000000 ] - [ -0.0010283700000000, 0.0015015500000000, -0.0008430800000000 ] - [ -0.0009196800000000, -0.0033591600000000, 0.0022885600000000 ] - [ 0.0000570700000000, -0.0001267500000000, 0.0001679800000000 ] - [ 0.0014618000000000, 0.0006629900000000, 0.0030672400000000 ] - [ -0.0002860300000000, 0.0004097600000000, -0.0008511700000000 ] - [ 0.0002943500000000, 0.0004130200000000, 0.0004206300000000 ] - [ 0.0008574600000000, -0.0030173600000000, 0.0002239500000000 ] - [ -0.0001127400000000, -0.0002125100000000, 0.0005302700000000 ] - [ -0.0064268800000000, 0.0007715000000000, 0.0003639100000000 ] - [ 0.0015442400000000, -0.0016868300000000, -0.0004525900000000 ] - [ 0.0009746200000000, 0.0005600900000000, 0.0010620100000000 ] - [ 0.0001647400000000, -0.0001259100000000, -0.0001108500000000 ] - [ 0.0002023600000000, 0.0005536200000000, -0.0000389700000000 ] - [ -0.0023986400000000, -0.0007618900000000, 0.0006687200000000 ] - [ 0.0002325300000000, -0.0000519600000000, 0.0000439500000000 ] - [ 0.0015899500000000, -0.0004425000000000, 0.0014803000000000 ] - [ -0.0000864300000000, 0.0004835000000000, -0.0000809500000000 ] - [ 0.0003635400000000, -0.0004334000000000, -0.0000620600000000 ] - [ 0.0000311100000000, 0.0004312500000000, -0.0001114900000000 ] - [ -0.0000656400000000, 0.0018558600000000, -0.0001589600000000 ] - [ 0.0000115400000000, -0.0002411400000000, -0.0016362300000000 ] - [ -0.0000540700000000, -0.0005838200000000, 0.0014580000000000 ] - [ 0.0044177400000000, 0.0005508200000000, 0.0003148200000000 ] - [ -0.0002126700000000, -0.0006601600000000, 0.0000199800000000 ] - [ 0.0210634600000000, 0.0161803200000000, 0.0930933000000000 ] - [ 0.0001223300000000, 0.0005840300000000, 0.0014012000000000 ] - [ -0.0000930900000000, 0.0002204700000000, 0.0003813500000000 ] - [ -0.0002735700000000, 0.0005676500000000, -0.0012184500000000 ] - [ 0.0002284500000000, 0.0005222000000000, 0.0010980900000000 ] - [ -0.0005480900000000, 0.0004650500000000, -0.0029449900000000 ] - [ -0.0001896800000000, -0.0000751100000000, 0.0007095100000000 ] - [ 0.0001825400000000, -0.0001900100000000, 0.0000250700000000 ] - [ -0.0002379100000000, -0.0002909800000000, -0.0000907000000000 ] - [ -0.0000328300000000, -0.0002383200000000, -0.0006182000000000 ] - [ -0.0043154100000000, 0.0008094600000000, -0.0061500000000000 ] - [ -0.0003869200000000, -0.0000999000000000, -0.0009458300000000 ] - [ 0.0000446900000000, 0.0030005600000000, 0.0000579300000000 ] - [ 0.0001260400000000, -0.0005638500000000, -0.0001455000000000 ] - [ -0.0000208100000000, -0.0010992400000000, 0.0001271000000000 ] - [ 0.0008252400000000, 0.0009283600000000, -0.0000350400000000 ] - [ 0.0002359700000000, 0.0006394700000000, 0.0001575200000000 ] - [ -0.0001036200000000, 0.0000098200000000, 0.0008343500000000 ] - [ 0.0008234600000000, 0.0001727100000000, 0.0017333900000000 ] - [ -0.0000615100000000, 0.0006295400000000, -0.0001108500000000 ] - [ -0.0001912100000000, -0.0008118800000000, 0.0002489100000000 ] - [ 0.0015195000000000, 0.0007970100000000, 0.0145976600000000 ] - [ -0.0002803800000000, 0.0002552900000000, 0.0007460800000000 ] - [ -0.0013785700000000, 0.0009996700000000, -0.0014673400000000 ] - [ -0.0004757100000000, -0.0001380600000000, 0.0011255900000000 ] - [ 0.0002145900000000, -0.0006771900000000, -0.0000719400000000 ] - [ 0.0001683000000000, -0.0000063800000000, 0.0004439700000000 ] - [ -0.0002243400000000, 0.0007242400000000, 0.0002287700000000 ] - [ -0.0173569200000000, -0.0069826500000000, -0.1747804200000000 ] - [ 0.0003377500000000, 0.0001875300000000, -0.0012364600000000 ] - [ -0.0000325100000000, -0.0010493700000000, 0.0004091700000000 ] - [ 0.0000858900000000, -0.0007291000000000, -0.0001576900000000 ] - [ -0.0000032700000000, 0.0001557400000000, 0.0005949400000000 ] - [ 0.0005953000000000, 0.0004389400000000, -0.0003943200000000 ] - [ -0.0001557200000000, 0.0000637400000000, -0.0000910400000000 ] - [ -0.0001669800000000, 0.0003124800000000, -0.0000226600000000 ] - [ -0.0001572900000000, 0.0005803600000000, 0.0009013000000000 ] - [ -0.0003365400000000, -0.0000767600000000, -0.0005256900000000 ] - [ 0.0005704200000000, 0.0008624400000000, 0.0047775400000000 ] - [ -0.0027000100000000, 0.0005756600000000, 0.0019944900000000 ] - [ -0.0024137000000000, 0.0006717600000000, -0.0001372900000000 ] - [ -0.0004417800000000, 0.0001043500000000, 0.0008446300000000 ] - [ -0.0002571000000000, 0.0000326600000000, -0.0004446000000000 ] - [ 0.0002589500000000, 0.0002316500000000, -0.0002059900000000 ] - [ 0.0000439700000000, 0.0000527600000000, 0.0001209400000000 ] - [ -0.0001735000000000, 0.0001754800000000, 0.0000083800000000 ] - [ -0.0001474900000000, -0.0004659100000000, 0.0009618600000000 ] - [ -0.0003081600000000, 0.0000874000000000, -0.0006879900000000 ] - [ -0.0000444600000000, -0.0002669500000000, 0.0012925700000000 ] - [ 0.0025605900000000, -0.0013099500000000, 0.0007073400000000 ] - [ -0.0004340900000000, -0.0002291300000000, 0.0015774600000000 ] - [ 0.0001245600000000, 0.0008649300000000, -0.0004357800000000 ] - [ 0.0004157700000000, 0.0000418900000000, 0.0003886100000000 ] - [ -0.0034756000000000, -0.0006394900000000, -0.0010253300000000 ] - [ -0.0003432900000000, -0.0006854000000000, -0.0001935800000000 ] - [ 0.0004212100000000, -0.0017378400000000, 0.0003813100000000 ] - [ -0.0012419500000000, -0.0004058000000000, 0.0010986700000000 ] - [ -0.0019795200000000, -0.0046210000000000, -0.0006486100000000 ] - [ -0.0002301900000000, 0.0003104000000000, 0.0000305600000000 ] - [ -0.0000094600000000, 0.0004664300000000, 0.0001044700000000 ] - [ 0.0000771900000000, -0.0006145100000000, -0.0003144500000000 ] - [ 0.0002893100000000, 0.0004605300000000, 0.0006611800000000 ] - [ 0.0000938300000000, 0.0004419500000000, -0.0000513300000000 ] - [ -0.0022629900000000, 0.0005144300000000, -0.0002263800000000 ] - [ 0.0004271900000000, -0.0000487300000000, 0.0000932200000000 ] - [ -0.0001074400000000, 0.0019087800000000, 0.0012307900000000 ] - [ -0.0003084700000000, 0.0000777900000000, 0.0006734400000000 ] - [ -0.0052697500000000, -0.0068751400000000, -0.0218364100000000 ] - [ -0.0062823000000000, 0.0049460500000000, 0.0004544600000000 ] - [ 0.0000857600000000, 0.0008515400000000, -0.0000544400000000 ] - [ 0.0002868800000000, 0.0001688700000000, 0.0003466300000000 ] - [ 0.0012040700000000, -0.0017359200000000, 0.0012298800000000 ] - [ 0.0001036500000000, -0.0002768800000000, -0.0000828600000000 ] - [ 0.0002743200000000, -0.0005015600000000, -0.0025608600000000 ] - [ 0.0001778400000000, -0.0019053100000000, -0.0003378300000000 ] - [ -0.0001141500000000, 0.0004023100000000, -0.0001413200000000 ] - [ 0.0000728100000000, -0.0008129000000000, 0.0001356400000000 ] - [ 0.0000274000000000, 0.0000651100000000, 0.0003995800000000 ] - [ -0.0000975200000000, -0.0001023000000000, -0.0004359000000000 ] - [ -0.0003176400000000, -0.0002523300000000, -0.0002651200000000 ] - [ -0.0000223100000000, 0.0016888100000000, -0.0001040500000000 ] - [ 0.0003208500000000, 0.0000569100000000, -0.0003891500000000 ] - [ 0.0002039800000000, -0.0002053100000000, 0.0013757100000000 ] - [ 0.0013242000000000, -0.0048045200000000, 0.0012917000000000 ] - [ 0.0061278200000000, 0.0049634600000000, 0.0057971400000000 ] - [ -0.0002061900000000, -0.0003939800000000, -0.0009442000000000 ] - [ 0.0001916300000000, -0.0000641800000000, -0.0007687800000000 ] - [ 0.0001162600000000, -0.0000318400000000, 0.0000294000000000 ] - [ 0.0000191900000000, 0.0002462800000000, -0.0007992500000000 ] - [ 0.0025411900000000, 0.0023242400000000, 0.0020350900000000 ] - [ -0.0006930700000000, -0.0003625500000000, -0.0002232500000000 ] - [ -0.0001309700000000, -0.0002231000000000, 0.0003094600000000 ] - [ 0.0027676400000000, 0.0008102000000000, -0.0007130300000000 ] - [ -0.0000965200000000, -0.0013176600000000, -0.0004511600000000 ] - [ 0.0005391400000000, -0.0013364300000000, -0.0011017300000000 ] - [ 0.0003612400000000, 0.0003956600000000, -0.0002017200000000 ] - [ 0.0319617900000000, 0.0019403500000000, 0.0547491000000000 ] - [ -0.0005882500000000, 0.0001026100000000, -0.0006108700000000 ] - [ -0.0005785300000000, -0.0019879600000000, 0.0011255000000000 ] - [ 0.0006562900000000, 0.0008338700000000, 0.0055333400000000 ] - [ 0.0018504300000000, -0.0009986400000000, 0.0015733500000000 ] - [ -0.0013581900000000, -0.0000978900000000, -0.0020672400000000 ] - [ 0.0001987100000000, 0.0003183300000000, -0.0010270900000000 ] - [ -0.0011318500000000, 0.0011751000000000, 0.0000502600000000 ] - [ 0.0001588600000000, -0.0004736800000000, 0.0000709700000000 ] - [ 0.0003090700000000, 0.0002417500000000, -0.0002191500000000 ] - [ -0.0005777800000000, 0.0000291000000000, 0.0001437300000000 ] - [ 0.0001634600000000, -0.0001514200000000, -0.0005274000000000 ] - [ -0.0001048200000000, -0.0000476800000000, -0.0002015500000000 ] - [ 0.0001420200000000, -0.0005410100000000, 0.0006651900000000 ] - [ -0.0000884000000000, 0.0000153300000000, -0.0002256100000000 ] - [ 0.0009829800000000, 0.0001610100000000, 0.0007765800000000 ]- atom: 93 displacement: [ 0.0035230240541542, 0.0000000000000000, -0.0093588621911988 ] forces: - [ 0.0007823400000000, -0.0000457000000000, 0.0012085400000000 ] - [ -0.0001559200000000, 0.0002487700000000, -0.0003069000000000 ] - [ 0.0003399600000000, -0.0000682600000000, -0.0003301300000000 ] - [ 0.0011142100000000, -0.0010938100000000, -0.0032338600000000 ] - [ -0.0000793900000000, -0.0005180400000000, 0.0001307700000000 ] - [ -0.0001063800000000, -0.0001022100000000, -0.0001910500000000 ] - [ -0.0000695000000000, 0.0000205500000000, 0.0000826500000000 ] - [ 0.0004245000000000, 0.0001727700000000, 0.0004133800000000 ] - [ -0.0000139800000000, 0.0009483400000000, 0.0009752100000000 ] - [ -0.0000681900000000, 0.0000328900000000, 0.0002372500000000 ] - [ -0.0008120800000000, 0.0005407500000000, 0.0014970500000000 ] - [ 0.0018371900000000, -0.0005016000000000, -0.0005318900000000 ] - [ 0.0015556100000000, -0.0006738000000000, -0.0025845500000000 ] - [ 0.0013989300000000, 0.0009781000000000, -0.0045967200000000 ] - [ 0.0000562400000000, -0.0000412300000000, -0.0003248700000000 ] - [ -0.0014814700000000, -0.0006946000000000, 0.0009282300000000 ] - [ -0.0000353100000000, -0.0002426600000000, 0.0001252100000000 ] - [ -0.0004706000000000, -0.0000819300000000, 0.0000292900000000 ] - [ 0.0004236000000000, 0.0023157600000000, -0.0001753400000000 ] - [ 0.0000732000000000, 0.0004841100000000, 0.0005312700000000 ] - [ 0.0002266900000000, -0.0002403000000000, 0.0007358500000000 ] - [ -0.0000391600000000, 0.0004119100000000, -0.0002753400000000 ] - [ -0.0001801200000000, -0.0003008300000000, -0.0000964800000000 ] - [ -0.0002122800000000, 0.0000676800000000, -0.0007062400000000 ] - [ -0.0014674600000000, -0.0003206000000000, 0.0040847200000000 ] - [ -0.0012828200000000, -0.0006709700000000, 0.0160083700000000 ] - [ -0.0003810800000000, -0.0011204100000000, 0.0000587900000000 ] - [ -0.0002238300000000, -0.0001392400000000, -0.0004235100000000 ] - [ 0.0013254200000000, -0.0012693400000000, -0.0010315800000000 ] - [ -0.0005487000000000, -0.0015626300000000, 0.0008441200000000 ] - [ -0.0005187800000000, 0.0015067100000000, 0.0010791200000000 ] - [ 0.0002120600000000, 0.0008609600000000, 0.0004708600000000 ] - [ 0.0025028400000000, -0.0012253400000000, 0.0021368800000000 ] - [ -0.0013802200000000, -0.0014119900000000, -0.0006103900000000 ] - [ -0.0005594900000000, -0.0009024300000000, -0.0014780400000000 ] - [ 0.0228408400000000, 0.0069384000000000, -0.0302232200000000 ] - [ 0.0003626700000000, 0.0004696800000000, 0.0003280800000000 ] - [ 0.0006126700000000, 0.0008860800000000, 0.0021523900000000 ] - [ -0.0001125700000000, -0.0002222100000000, 0.0000833100000000 ] - [ -0.0005863300000000, 0.0010974800000000, -0.0005352100000000 ] - [ 0.0009164800000000, -0.0011289600000000, 0.0007691500000000 ] - [ 0.0014477700000000, 0.0037014800000000, -0.0014011900000000 ] - [ 0.0000604500000000, -0.0002455300000000, -0.0000839400000000 ] - [ -0.0017603300000000, -0.0004230500000000, -0.0030808400000000 ] - [ -0.0001103500000000, -0.0005922900000000, 0.0009440800000000 ] - [ 0.0000786200000000, 0.0006116500000000, -0.0010898800000000 ] - [ -0.0007918600000000, 0.0035178900000000, 0.0000547100000000 ] - [ -0.0000745100000000, -0.0000994200000000, 0.0003381100000000 ] - [ 0.0061642600000000, -0.0012577300000000, -0.0004333000000000 ] - [ -0.0014807500000000, 0.0020775900000000, 0.0006241100000000 ] - [ -0.0005308600000000, -0.0004933500000000, -0.0017502500000000 ] - [ 0.0001283200000000, -0.0000066300000000, 0.0006559100000000 ] - [ 0.0002166000000000, 0.0001099200000000, -0.0001982900000000 ] - [ 0.0019828100000000, 0.0014183000000000, -0.0004222200000000 ] - [ 0.0000839000000000, -0.0004234400000000, 0.0000099300000000 ] - [ -0.0012748800000000, -0.0003520600000000, -0.0019340900000000 ] - [ 0.0001201100000000, 0.0001276900000000, -0.0001358800000000 ] - [ 0.0000637300000000, -0.0002233900000000, -0.0001820700000000 ] - [ -0.0001027200000000, -0.0000359300000000, -0.0000563500000000 ] - [ 0.0000321100000000, -0.0024701300000000, 0.0003778800000000 ] - [ -0.0003089800000000, 0.0003781400000000, 0.0011002400000000 ] - [ 0.0003473500000000, 0.0007208600000000, -0.0009195400000000 ] - [ -0.0044910300000000, 0.0000510100000000, -0.0001073900000000 ] - [ -0.0002063700000000, 0.0000000700000000, 0.0002190400000000 ] - [ -0.0196738100000000, -0.0157049100000000, -0.0933364300000000 ] - [ 0.0001347300000000, -0.0008518500000000, -0.0015491100000000 ] - [ -0.0001608800000000, 0.0000400500000000, -0.0002391400000000 ] - [ 0.0005775300000000, 0.0002147800000000, 0.0007663700000000 ] - [ -0.0005289200000000, 0.0002678500000000, -0.0006348800000000 ] - [ 0.0008027800000000, -0.0002078500000000, 0.0028132600000000 ] - [ -0.0002604500000000, 0.0000064800000000, -0.0000165300000000 ] - [ 0.0001331900000000, 0.0006690800000000, 0.0000297500000000 ] - [ -0.0000607800000000, -0.0004882500000000, 0.0005467300000000 ] - [ -0.0004166500000000, 0.0003052800000000, 0.0013140500000000 ] - [ 0.0048258900000000, -0.0008932100000000, 0.0055207600000000 ] - [ 0.0001333000000000, -0.0001636700000000, 0.0010931100000000 ] - [ -0.0001133100000000, -0.0034244700000000, -0.0002343200000000 ] - [ -0.0000934700000000, -0.0000455100000000, -0.0000701700000000 ] - [ 0.0000917100000000, 0.0007083800000000, 0.0000408100000000 ] - [ -0.0011407200000000, -0.0004508100000000, -0.0000179200000000 ] - [ 0.0002400700000000, 0.0001600100000000, -0.0000928000000000 ] - [ -0.0000262500000000, -0.0000276300000000, -0.0000019200000000 ] - [ -0.0013834400000000, -0.0003441000000000, -0.0012657000000000 ] - [ -0.0002120800000000, 0.0001433200000000, -0.0001317900000000 ] - [ 0.0002591000000000, 0.0006900000000000, 0.0004121500000000 ] - [ -0.0010365000000000, -0.0007487400000000, -0.0146131800000000 ] - [ 0.0007673000000000, -0.0003591900000000, -0.0010024900000000 ] - [ 0.0007910200000000, -0.0009126700000000, 0.0012551600000000 ] - [ 0.0000846100000000, 0.0000697800000000, -0.0007142900000000 ] - [ 0.0002613600000000, -0.0001237400000000, 0.0001400100000000 ] - [ 0.0000605000000000, 0.0001432500000000, -0.0001639100000000 ] - [ -0.0000511700000000, 0.0003581500000000, 0.0001167300000000 ] - [ 0.0138606000000000, 0.0069113600000000, 0.1771447400000000 ] - [ 0.0002238400000000, -0.0002118200000000, 0.0018237200000000 ] - [ -0.0001192100000000, -0.0001339400000000, -0.0000757000000000 ] - [ 0.0001330600000000, -0.0003946100000000, -0.0002112500000000 ] - [ 0.0002701000000000, 0.0006203700000000, -0.0003582800000000 ] - [ -0.0004464600000000, -0.0016195200000000, 0.0000486600000000 ] - [ -0.0002365200000000, 0.0000050200000000, 0.0005024300000000 ] - [ -0.0002216000000000, 0.0005541000000000, -0.0000366600000000 ] - [ 0.0002894500000000, -0.0005689300000000, -0.0017413200000000 ] - [ -0.0002331600000000, 0.0001037900000000, -0.0000483600000000 ] - [ 0.0000016900000000, -0.0008351600000000, -0.0042188000000000 ] - [ 0.0024867600000000, -0.0016968700000000, -0.0016357900000000 ] - [ 0.0027068200000000, -0.0017608500000000, -0.0002089000000000 ] - [ 0.0002040300000000, -0.0000154900000000, -0.0006538500000000 ] - [ -0.0002277000000000, 0.0000386300000000, 0.0002338300000000 ] - [ 0.0002209800000000, 0.0002796000000000, -0.0006308000000000 ] - [ 0.0001974000000000, -0.0001453100000000, -0.0003160900000000 ] - [ -0.0001597900000000, 0.0003672500000000, 0.0005807900000000 ] - [ -0.0001863300000000, -0.0000763600000000, -0.0003794500000000 ] - [ 0.0008661600000000, -0.0001818400000000, 0.0008915800000000 ] - [ 0.0003799600000000, 0.0008114900000000, -0.0018817300000000 ] - [ -0.0025205200000000, 0.0014444000000000, -0.0000448300000000 ] - [ -0.0000417800000000, -0.0002868700000000, -0.0007459300000000 ] - [ 0.0001140200000000, -0.0007793300000000, 0.0002391700000000 ] - [ 0.0001441500000000, 0.0000434200000000, -0.0001826500000000 ] - [ 0.0038413100000000, 0.0007932000000000, 0.0013996000000000 ] - [ 0.0000704000000000, -0.0000896600000000, -0.0000464100000000 ] - [ -0.0000961500000000, 0.0016012600000000, -0.0000520500000000 ] - [ 0.0007668300000000, 0.0012050000000000, -0.0011651500000000 ] - [ 0.0017344400000000, 0.0044460700000000, 0.0010194600000000 ] - [ -0.0000955900000000, -0.0004517900000000, -0.0003667800000000 ] - [ 0.0002268100000000, -0.0001377400000000, 0.0000109300000000 ] - [ -0.0004749000000000, -0.0002528700000000, 0.0002635500000000 ] - [ -0.0005249800000000, -0.0006041600000000, -0.0009481700000000 ] - [ -0.0001637000000000, -0.0005633100000000, -0.0006172300000000 ] - [ 0.0020276200000000, -0.0003696600000000, -0.0000726800000000 ] - [ 0.0005182300000000, 0.0001934200000000, 0.0000284700000000 ] - [ 0.0010774000000000, -0.0013210700000000, -0.0013730500000000 ] - [ -0.0001768900000000, -0.0001489000000000, -0.0008928200000000 ] - [ 0.0045137500000000, 0.0065284800000000, 0.0221190000000000 ] - [ 0.0061362300000000, -0.0053482700000000, -0.0005468800000000 ] - [ 0.0000656800000000, 0.0003260900000000, -0.0002818500000000 ] - [ -0.0012360200000000, -0.0000202100000000, -0.0004787700000000 ] - [ -0.0009283500000000, 0.0028228300000000, -0.0015831400000000 ] - [ 0.0008399700000000, 0.0001245900000000, 0.0002183300000000 ] - [ 0.0001280300000000, 0.0004472300000000, 0.0021574900000000 ] - [ 0.0000407400000000, 0.0030536900000000, -0.0000279500000000 ] - [ -0.0008298500000000, -0.0005483500000000, 0.0000208800000000 ] - [ -0.0003493800000000, -0.0002707200000000, 0.0002126700000000 ] - [ -0.0005903600000000, -0.0001535600000000, -0.0006098700000000 ] - [ 0.0000280200000000, 0.0002236200000000, -0.0002253200000000 ] - [ -0.0002396900000000, 0.0004325600000000, 0.0007384600000000 ] - [ -0.0001976100000000, -0.0005730200000000, 0.0004800600000000 ] - [ 0.0001634500000000, 0.0000483100000000, 0.0001384000000000 ] - [ -0.0004413400000000, 0.0000660700000000, -0.0009540500000000 ] - [ -0.0023099200000000, 0.0042676900000000, -0.0011521800000000 ] - [ -0.0066837300000000, -0.0058638000000000, -0.0059487200000000 ] - [ 0.0004321300000000, 0.0002375000000000, 0.0012395900000000 ] - [ 0.0000419500000000, -0.0000757300000000, 0.0003356100000000 ] - [ 0.0001170500000000, 0.0001657400000000, -0.0004562700000000 ] - [ 0.0004660200000000, -0.0007627200000000, -0.0000382800000000 ] - [ -0.0021521300000000, -0.0014542500000000, -0.0019839600000000 ] - [ 0.0002139400000000, 0.0002593200000000, 0.0004745700000000 ] - [ -0.0001471400000000, 0.0004613500000000, 0.0000187000000000 ] - [ -0.0025203100000000, -0.0015942800000000, 0.0009697300000000 ] - [ 0.0005926400000000, 0.0012509600000000, 0.0006607200000000 ] - [ -0.0002152400000000, 0.0008045900000000, 0.0005115400000000 ] - [ -0.0000834400000000, -0.0006381900000000, -0.0001271500000000 ] - [ -0.0313022200000000, -0.0019560200000000, -0.0551221400000000 ] - [ 0.0004287600000000, 0.0010884600000000, 0.0009651200000000 ] - [ 0.0003648500000000, 0.0023191700000000, -0.0012481900000000 ] - [ -0.0002725200000000, -0.0007743500000000, -0.0060091100000000 ] - [ -0.0023690300000000, 0.0011231800000000, -0.0013317400000000 ] - [ 0.0011290300000000, 0.0002433700000000, 0.0025093000000000 ] - [ -0.0003298700000000, -0.0003058000000000, 0.0018711500000000 ] - [ 0.0014107900000000, -0.0009345000000000, -0.0003857400000000 ] - [ 0.0000574700000000, 0.0001441800000000, 0.0000462800000000 ] - [ 0.0006548200000000, -0.0008320500000000, 0.0000889600000000 ] - [ -0.0003843200000000, 0.0005563700000000, -0.0000127200000000 ] - [ 0.0003911500000000, -0.0000235400000000, 0.0000571300000000 ] - [ -0.0002198000000000, 0.0001835700000000, -0.0001294900000000 ] - [ -0.0007157300000000, 0.0005206700000000, -0.0012446800000000 ] - [ 0.0004780200000000, -0.0008862100000000, 0.0002880600000000 ] - [ -0.0004310300000000, 0.0000203400000000, -0.0012539600000000 ]- atom: 94 displacement: [ 0.0099999639143206, 0.0000000000000000, -0.0000268647033593 ] forces: - [ 0.0000733000000000, -0.0001624800000000, 0.0000136900000000 ] - [ -0.0000781400000000, 0.0003831200000000, -0.0000244600000000 ] - [ -0.0005713600000000, -0.0001884200000000, 0.0000882800000000 ] - [ 0.0050468200000000, -0.0031760300000000, -0.0011728600000000 ] - [ -0.0000405600000000, -0.0003199900000000, -0.0001859500000000 ] - [ 0.0001826900000000, 0.0003393000000000, -0.0000588800000000 ] - [ -0.0001056600000000, 0.0001979700000000, -0.0000799400000000 ] - [ 0.0002839800000000, 0.0000886400000000, -0.0003195200000000 ] - [ -0.0000008900000000, 0.0001403900000000, -0.0005918100000000 ] - [ 0.0000135800000000, 0.0000860900000000, 0.0000272800000000 ] - [ 0.0001190300000000, 0.0003332200000000, 0.0000821900000000 ] - [ 0.0004480000000000, -0.0003757200000000, 0.0001346100000000 ] - [ 0.0002608900000000, -0.0000516500000000, 0.0001186500000000 ] - [ -0.0007614800000000, 0.0002797200000000, 0.0002586900000000 ] - [ -0.0000117200000000, -0.0000701800000000, 0.0000781400000000 ] - [ -0.0002472200000000, 0.0000518400000000, 0.0000383500000000 ] - [ -0.0000757200000000, -0.0000981200000000, -0.0001539600000000 ] - [ 0.0002468100000000, -0.0001727800000000, -0.0000279700000000 ] - [ -0.0004088700000000, 0.0003093300000000, -0.0000362200000000 ] - [ 0.0000137200000000, -0.0000597500000000, 0.0003493900000000 ] - [ 0.0003080800000000, 0.0000573700000000, -0.0001127300000000 ] - [ -0.0002555300000000, 0.0003956400000000, -0.0001023500000000 ] - [ -0.0002043300000000, -0.0013513900000000, 0.0028842100000000 ] - [ -0.0030332500000000, -0.0013505400000000, 0.0002032900000000 ] - [ 0.0000661700000000, -0.0004245300000000, 0.0003032900000000 ] - [ 0.0001055200000000, -0.0002918100000000, 0.0008354100000000 ] - [ -0.0073246800000000, 0.0005928800000000, -0.0018866300000000 ] - [ -0.0000469700000000, -0.0000268000000000, -0.0001301800000000 ] - [ -0.0001889200000000, 0.0003934800000000, -0.0001227300000000 ] - [ -0.0004355700000000, -0.0001123400000000, 0.0001740300000000 ] - [ -0.0001717400000000, 0.0003816600000000, 0.0004468500000000 ] - [ 0.0001431700000000, 0.0004273700000000, 0.0000264500000000 ] - [ -0.0003278800000000, 0.0007143000000000, 0.0002027100000000 ] - [ -0.0000439600000000, 0.0004717400000000, -0.0004560000000000 ] - [ -0.0004510500000000, -0.0007767600000000, 0.0002294500000000 ] - [ 0.0001697500000000, 0.0009661900000000, -0.0011499800000000 ] - [ -0.0015481600000000, -0.0001930400000000, -0.0002937400000000 ] - [ 0.0001911800000000, -0.0003828500000000, -0.0003296200000000 ] - [ -0.0006059800000000, 0.0004073500000000, -0.0008250600000000 ] - [ 0.0001867700000000, 0.0000057700000000, -0.0000102600000000 ] - [ 0.0003185900000000, -0.0016962900000000, -0.0020694400000000 ] - [ -0.0040592400000000, 0.0003954400000000, -0.0004940800000000 ] - [ -0.0003673500000000, 0.0007552800000000, 0.0004555400000000 ] - [ 0.0001972700000000, 0.0003845100000000, 0.0000628000000000 ] - [ 0.0004412000000000, -0.0002919500000000, -0.0000830500000000 ] - [ 0.0156910500000000, -0.0044017400000000, 0.0036611700000000 ] - [ 0.0095198000000000, 0.0008009500000000, -0.0036953800000000 ] - [ -0.0004697200000000, -0.0022194000000000, 0.0001280100000000 ] - [ -0.0010178800000000, -0.0001013600000000, -0.0000406200000000 ] - [ -0.0000408000000000, 0.0002930400000000, 0.0000938500000000 ] - [ -0.0025445300000000, -0.0015614900000000, 0.0003834400000000 ] - [ 0.0001413000000000, -0.0001907500000000, -0.0003257700000000 ] - [ 0.0013640000000000, 0.0011002300000000, -0.0012697900000000 ] - [ -0.0001010200000000, 0.0003816500000000, 0.0000849700000000 ] - [ 0.0009077200000000, 0.0006801700000000, -0.0000378000000000 ] - [ 0.0002268200000000, -0.0006730500000000, -0.0005239300000000 ] - [ -0.0002671900000000, 0.0003564700000000, -0.0000714600000000 ] - [ 0.0001617600000000, -0.0002578800000000, -0.0001287600000000 ] - [ -0.0008009800000000, 0.0001808900000000, -0.0000960600000000 ] - [ 0.0003449100000000, -0.0005604300000000, 0.0001298000000000 ] - [ 0.0003787000000000, -0.0001151700000000, -0.0007668400000000 ] - [ 0.0001391100000000, 0.0001017200000000, 0.0003012100000000 ] - [ 0.0032080700000000, -0.0002296800000000, -0.0000544500000000 ] - [ -0.0053667600000000, 0.0007817800000000, 0.0003324800000000 ] - [ 0.0005410000000000, 0.0005895100000000, 0.0000568400000000 ] - [ 0.0680099900000000, -0.0007121500000000, 0.0549350700000000 ] - [ -0.0009799400000000, 0.0012672000000000, -0.0000709600000000 ] - [ -0.0003669800000000, 0.0004235300000000, -0.0009461300000000 ] - [ -0.0001331400000000, 0.0004998900000000, 0.0003489400000000 ] - [ 0.0001207100000000, 0.0000559600000000, -0.0000128700000000 ] - [ -0.0005883000000000, -0.0004419900000000, 0.0008245400000000 ] - [ 0.0001766000000000, 0.0003801400000000, 0.0000254500000000 ] - [ -0.0001138000000000, -0.0003989800000000, 0.0003685000000000 ] - [ -0.0002662200000000, 0.0000748100000000, 0.0003385000000000 ] - [ 0.0000510300000000, 0.0000012400000000, -0.0006555700000000 ] - [ -0.0001057400000000, -0.0000227100000000, -0.0000307700000000 ] - [ -0.0000165700000000, 0.0000326400000000, -0.0000969100000000 ] - [ -0.0000282200000000, -0.0000571000000000, -0.0001190000000000 ] - [ -0.0029089200000000, -0.0039642500000000, -0.0014950800000000 ] - [ -0.0006733900000000, -0.0010473600000000, -0.0001656300000000 ] - [ 0.0002274000000000, 0.0003092900000000, 0.0000303000000000 ] - [ -0.0000413500000000, -0.0000093900000000, 0.0010713300000000 ] - [ -0.0002258300000000, -0.0000776400000000, 0.0002601200000000 ] - [ -0.0001947200000000, 0.0002453500000000, -0.0001245700000000 ] - [ 0.0006664400000000, 0.0013782300000000, 0.0012587800000000 ] - [ 0.0002723100000000, -0.0001170700000000, 0.0005150700000000 ] - [ 0.0002706300000000, -0.0001231000000000, -0.0001315500000000 ] - [ -0.0004355300000000, 0.0001394800000000, -0.0001050400000000 ] - [ -0.0002163700000000, -0.0000967700000000, 0.0001998400000000 ] - [ -0.0003354400000000, -0.0005097300000000, -0.0000035700000000 ] - [ 0.0000259200000000, 0.0000623900000000, 0.0001012100000000 ] - [ -0.0001390900000000, 0.0002435900000000, 0.0002134600000000 ] - [ -0.0002088400000000, -0.0009428300000000, 0.0004928500000000 ] - [ -0.0851505100000000, 0.0356703300000000, -0.0869352400000000 ] - [ -0.0005685100000000, -0.0006554100000000, 0.0012865600000000 ] - [ 0.0004174800000000, -0.0005633100000000, -0.0001562700000000 ] - [ 0.0001492800000000, 0.0009914200000000, 0.0001478900000000 ] - [ 0.0000324100000000, -0.0006886800000000, -0.0001842500000000 ] - [ -0.0001294300000000, 0.0001762400000000, -0.0003333700000000 ] - [ -0.0000729200000000, -0.0005350900000000, 0.0012198800000000 ] - [ -0.0005067200000000, 0.0004498600000000, 0.0005622300000000 ] - [ 0.0002007200000000, -0.0006960500000000, 0.0000199100000000 ] - [ 0.0002591100000000, 0.0000022100000000, 0.0001867400000000 ] - [ 0.0000120700000000, -0.0006175500000000, 0.0001224200000000 ] - [ -0.0013200600000000, 0.0012971800000000, -0.0019206100000000 ] - [ -0.0004746700000000, 0.0002421000000000, 0.0001601700000000 ] - [ -0.0002288200000000, 0.0003512100000000, -0.0003682400000000 ] - [ 0.0002300000000000, 0.0004877900000000, 0.0000336400000000 ] - [ 0.0002874800000000, 0.0001464800000000, 0.0003214500000000 ] - [ 0.0002425700000000, -0.0004833700000000, -0.0000695000000000 ] - [ -0.0001758100000000, -0.0003857800000000, 0.0003853700000000 ] - [ 0.0002518200000000, -0.0001308300000000, 0.0000592800000000 ] - [ 0.0001821000000000, 0.0004094700000000, -0.0004004200000000 ] - [ 0.0003764300000000, -0.0001591600000000, 0.0003594200000000 ] - [ -0.0001807100000000, -0.0001646300000000, 0.0007343100000000 ] - [ 0.0001456800000000, -0.0000221500000000, -0.0001289900000000 ] - [ 0.0003884500000000, 0.0000826700000000, 0.0001465900000000 ] - [ -0.0006507300000000, 0.0000284300000000, 0.0002426800000000 ] - [ -0.0003142500000000, -0.0009231900000000, -0.0001126900000000 ] - [ -0.0003498100000000, 0.0000459100000000, 0.0002175200000000 ] - [ 0.0003363100000000, 0.0007938600000000, -0.0000579700000000 ] - [ -0.0002153500000000, -0.0003588300000000, 0.0002116800000000 ] - [ -0.0001708900000000, -0.0002844700000000, -0.0001760300000000 ] - [ 0.0001907100000000, -0.0000832200000000, 0.0000785000000000 ] - [ -0.0001475300000000, -0.0005070400000000, -0.0000308300000000 ] - [ 0.0007215000000000, 0.0000703800000000, 0.0007969100000000 ] - [ -0.0000460300000000, -0.0002046900000000, -0.0003180700000000 ] - [ 0.0000189000000000, 0.0000946100000000, -0.0000802600000000 ] - [ -0.0003763500000000, -0.0002294000000000, 0.0001043500000000 ] - [ 0.0005254400000000, 0.0002099100000000, -0.0001206900000000 ] - [ -0.0002335700000000, -0.0000844500000000, -0.0000719400000000 ] - [ -0.0006915300000000, -0.0004295700000000, 0.0001430200000000 ] - [ -0.0018949900000000, -0.0020082500000000, 0.0013962200000000 ] - [ 0.0016102500000000, -0.0011401300000000, -0.0007810800000000 ] - [ -0.0005063500000000, 0.0001024700000000, -0.0000337800000000 ] - [ -0.0001758000000000, 0.0008980100000000, -0.0000849700000000 ] - [ 0.0004719500000000, -0.0001879100000000, 0.0000691700000000 ] - [ 0.0026135200000000, 0.0004367500000000, -0.0008595100000000 ] - [ 0.0000701000000000, 0.0003899500000000, -0.0001834000000000 ] - [ 0.0022776400000000, 0.0005861600000000, -0.0002795700000000 ] - [ 0.0001655800000000, -0.0006656600000000, 0.0001010400000000 ] - [ 0.0001250900000000, 0.0001659900000000, 0.0001375700000000 ] - [ -0.0003335400000000, -0.0016474000000000, -0.0018233400000000 ] - [ 0.0060515600000000, -0.0227655300000000, 0.0358276500000000 ] - [ 0.0034142600000000, 0.0016152900000000, 0.0063730000000000 ] - [ -0.0021029400000000, 0.0015601800000000, -0.0000380500000000 ] - [ -0.0000666300000000, -0.0000575100000000, 0.0008044900000000 ] - [ -0.0004244700000000, -0.0005388300000000, 0.0001494900000000 ] - [ 0.0004527200000000, -0.0008148300000000, 0.0002576800000000 ] - [ 0.0000519600000000, -0.0002041400000000, 0.0001050800000000 ] - [ 0.0000780500000000, -0.0002099000000000, -0.0002903900000000 ] - [ 0.0001170100000000, -0.0000413300000000, -0.0004210000000000 ] - [ 0.0002763700000000, -0.0003216700000000, -0.0004581200000000 ] - [ 0.0000840500000000, 0.0003784800000000, -0.0000205700000000 ] - [ 0.0026966400000000, 0.0013651900000000, -0.0005956500000000 ] - [ 0.0004009800000000, 0.0004288600000000, -0.0002056100000000 ] - [ 0.0009867600000000, -0.0004279700000000, 0.0000281700000000 ] - [ 0.0020157400000000, 0.0004947100000000, -0.0007734200000000 ] - [ -0.0150318100000000, -0.0007995900000000, -0.0003449600000000 ] - [ 0.0023940000000000, 0.0015099700000000, 0.0000886000000000 ] - [ -0.0000243200000000, -0.0005046500000000, -0.0010933700000000 ] - [ -0.0001025800000000, 0.0005791300000000, 0.0001714500000000 ] - [ -0.0002971500000000, 0.0003231900000000, -0.0002012000000000 ] - [ 0.0002220100000000, 0.0000546500000000, 0.0000854700000000 ] - [ -0.0001287100000000, -0.0000328000000000, 0.0002072600000000 ] - [ 0.0000857300000000, 0.0006501900000000, 0.0002660400000000 ] - [ -0.0000167800000000, -0.0000627100000000, 0.0003712800000000 ] - [ 0.0002019000000000, 0.0000523800000000, -0.0001451200000000 ] - [ 0.0004243100000000, 0.0000323900000000, 0.0001027300000000 ] - [ 0.0003521600000000, 0.0040251300000000, 0.0038479400000000 ] - [ 0.0004271900000000, 0.0002100600000000, 0.0006330700000000 ] - [ 0.0012264300000000, -0.0017048600000000, -0.0006514500000000 ] - [ 0.0003869200000000, 0.0000688300000000, -0.0001585900000000 ] - [ -0.0002623900000000, -0.0000905800000000, -0.0002170700000000 ] - [ 0.0071411200000000, -0.0035837700000000, -0.0087277000000000 ] - [ 0.0002738600000000, 0.0000055200000000, -0.0001936600000000 ]- atom: 94 displacement: [ -0.0099999639143206, 0.0000000000000000, 0.0000268647033593 ] forces: - [ 0.0001174000000000, -0.0000531900000000, 0.0001745900000000 ] - [ -0.0000523900000000, 0.0000588400000000, -0.0000301600000000 ] - [ 0.0011924200000000, 0.0001832200000000, -0.0002322300000000 ] - [ -0.0052042200000000, 0.0027455000000000, 0.0015357000000000 ] - [ -0.0000516200000000, -0.0003475700000000, -0.0000911400000000 ] - [ -0.0003741700000000, -0.0005572400000000, -0.0001268400000000 ] - [ -0.0000841200000000, 0.0000192000000000, -0.0001063800000000 ] - [ 0.0005865500000000, 0.0002491200000000, 0.0005419200000000 ] - [ 0.0000596700000000, -0.0002497600000000, 0.0004771600000000 ] - [ -0.0000736800000000, 0.0000234100000000, 0.0000898500000000 ] - [ -0.0000267700000000, 0.0003358300000000, 0.0001955300000000 ] - [ -0.0003169600000000, -0.0000554000000000, -0.0000833000000000 ] - [ 0.0006100800000000, -0.0002893000000000, 0.0001020300000000 ] - [ 0.0008280000000000, -0.0001745000000000, -0.0003810600000000 ] - [ -0.0000484500000000, -0.0000392500000000, 0.0000391800000000 ] - [ -0.0003691300000000, -0.0000615100000000, 0.0001054500000000 ] - [ -0.0000551100000000, -0.0003449300000000, 0.0000994600000000 ] - [ -0.0011162200000000, -0.0001673300000000, -0.0001920300000000 ] - [ -0.0004614000000000, 0.0000296100000000, -0.0001849200000000 ] - [ 0.0001192300000000, 0.0005026100000000, -0.0002914500000000 ] - [ 0.0003087000000000, -0.0000474600000000, -0.0000304800000000 ] - [ 0.0001649600000000, 0.0002719700000000, -0.0001751200000000 ] - [ -0.0004305800000000, 0.0013574900000000, -0.0027487500000000 ] - [ 0.0032254500000000, 0.0015661500000000, -0.0000189700000000 ] - [ 0.0004487900000000, 0.0001047800000000, 0.0006005300000000 ] - [ -0.0000251000000000, -0.0001814700000000, -0.0005603600000000 ] - [ 0.0069589000000000, -0.0016287200000000, 0.0025593700000000 ] - [ -0.0004621600000000, -0.0002975200000000, -0.0007769400000000 ] - [ 0.0001049700000000, 0.0000839400000000, -0.0001578000000000 ] - [ 0.0006226300000000, 0.0004292800000000, -0.0010467000000000 ] - [ -0.0000100800000000, -0.0000629300000000, 0.0004098900000000 ] - [ -0.0000305400000000, -0.0000559100000000, 0.0000495400000000 ] - [ -0.0000624900000000, 0.0003107000000000, 0.0004677200000000 ] - [ -0.0004666800000000, -0.0001483700000000, -0.0004480400000000 ] - [ 0.0003412300000000, 0.0004009200000000, -0.0003020200000000 ] - [ 0.0000061600000000, -0.0012856500000000, 0.0003010000000000 ] - [ 0.0019242700000000, 0.0003812000000000, 0.0001979500000000 ] - [ 0.0001985000000000, -0.0006420400000000, -0.0003373600000000 ] - [ 0.0005217800000000, -0.0008873300000000, 0.0005478100000000 ] - [ 0.0001889600000000, -0.0001910700000000, -0.0000926700000000 ] - [ -0.0004258400000000, 0.0020568600000000, 0.0020499100000000 ] - [ 0.0045764300000000, -0.0000709800000000, 0.0014186000000000 ] - [ 0.0004849600000000, -0.0011250300000000, -0.0003840100000000 ] - [ -0.0005741900000000, -0.0002000000000000, 0.0000392100000000 ] - [ -0.0008160800000000, 0.0001007700000000, 0.0001847400000000 ] - [ -0.0153646300000000, 0.0053127100000000, -0.0043513100000000 ] - [ -0.0094527200000000, -0.0003350700000000, 0.0041163000000000 ] - [ 0.0002847200000000, 0.0019048800000000, 0.0007316200000000 ] - [ 0.0006877400000000, -0.0003812100000000, -0.0000062400000000 ] - [ 0.0001053600000000, 0.0000866900000000, 0.0000691300000000 ] - [ 0.0029991000000000, 0.0016498500000000, -0.0010926600000000 ] - [ 0.0001510700000000, 0.0000475600000000, 0.0008708200000000 ] - [ -0.0009537300000000, -0.0004314900000000, 0.0010337500000000 ] - [ -0.0003129200000000, 0.0002940300000000, 0.0001440500000000 ] - [ -0.0005807100000000, -0.0011661900000000, 0.0000881900000000 ] - [ 0.0000668000000000, -0.0000996900000000, 0.0000606500000000 ] - [ 0.0002968700000000, 0.0002482700000000, -0.0001430600000000 ] - [ 0.0002523600000000, -0.0004171100000000, -0.0000997500000000 ] - [ 0.0007429400000000, 0.0001988000000000, -0.0000671200000000 ] - [ -0.0003831000000000, -0.0000439300000000, 0.0000864300000000 ] - [ -0.0006709600000000, 0.0002537700000000, 0.0002106800000000 ] - [ 0.0001541900000000, 0.0000416000000000, 0.0002422100000000 ] - [ -0.0032252300000000, 0.0008340600000000, 0.0002662200000000 ] - [ 0.0049490500000000, -0.0014507200000000, -0.0001091600000000 ] - [ -0.0008414400000000, -0.0007395400000000, -0.0006054900000000 ] - [ -0.0682864000000000, 0.0005242600000000, -0.0542534800000000 ] - [ 0.0007308200000000, -0.0010152200000000, 0.0002134200000000 ] - [ 0.0006574800000000, 0.0003379300000000, 0.0004972600000000 ] - [ -0.0001576800000000, 0.0002688800000000, 0.0001094900000000 ] - [ 0.0001355800000000, 0.0002054600000000, -0.0001246400000000 ] - [ 0.0001520100000000, 0.0003665500000000, -0.0001263400000000 ] - [ 0.0001545000000000, 0.0000987500000000, 0.0000226400000000 ] - [ -0.0001762600000000, -0.0003695200000000, 0.0000900400000000 ] - [ -0.0001701400000000, 0.0000027600000000, 0.0003602200000000 ] - [ 0.0003859900000000, -0.0000792300000000, -0.0000418800000000 ] - [ -0.0001497700000000, -0.0002385700000000, 0.0001705400000000 ] - [ -0.0000476300000000, -0.0004131800000000, -0.0000658600000000 ] - [ 0.0000569100000000, -0.0005471300000000, -0.0000951200000000 ] - [ 0.0029657100000000, 0.0036011700000000, 0.0016729300000000 ] - [ 0.0003549900000000, 0.0015316600000000, 0.0001168800000000 ] - [ 0.0002957000000000, 0.0004771400000000, 0.0000305500000000 ] - [ -0.0000914600000000, -0.0000081600000000, -0.0002181300000000 ] - [ -0.0003413300000000, -0.0001186400000000, 0.0002012800000000 ] - [ -0.0001006400000000, 0.0005071200000000, -0.0001183500000000 ] - [ -0.0005980100000000, -0.0014559200000000, -0.0006014400000000 ] - [ 0.0001956900000000, 0.0001883100000000, -0.0003262000000000 ] - [ 0.0001882500000000, 0.0000374300000000, -0.0001129300000000 ] - [ -0.0001108300000000, -0.0000571800000000, -0.0000983600000000 ] - [ -0.0001658500000000, 0.0000185500000000, 0.0001802200000000 ] - [ 0.0008622300000000, -0.0002752300000000, 0.0000635900000000 ] - [ 0.0002223200000000, 0.0000752300000000, 0.0001916100000000 ] - [ -0.0001113100000000, 0.0008279200000000, 0.0001364500000000 ] - [ -0.0002709200000000, 0.0014594900000000, 0.0003448600000000 ] - [ 0.0867834900000000, -0.0355353100000000, 0.0865503600000000 ] - [ 0.0004196200000000, -0.0005239500000000, -0.0009503800000000 ] - [ -0.0001938900000000, -0.0005410300000000, -0.0002106400000000 ] - [ 0.0001343100000000, -0.0002451300000000, 0.0000915100000000 ] - [ 0.0001186500000000, -0.0005021900000000, -0.0001502900000000 ] - [ -0.0002522000000000, -0.0000998100000000, 0.0007150700000000 ] - [ -0.0003281100000000, 0.0014110000000000, -0.0012689200000000 ] - [ 0.0006334700000000, -0.0004294800000000, -0.0013820700000000 ] - [ -0.0007806600000000, 0.0007298900000000, -0.0006142100000000 ] - [ 0.0003182700000000, 0.0000260300000000, 0.0004023500000000 ] - [ -0.0002379900000000, -0.0004883400000000, 0.0002458100000000 ] - [ 0.0015622000000000, -0.0023610700000000, 0.0015591300000000 ] - [ 0.0002071900000000, -0.0001250400000000, 0.0000483700000000 ] - [ -0.0002369000000000, -0.0002817400000000, 0.0001774600000000 ] - [ 0.0002522900000000, 0.0000148600000000, -0.0008743400000000 ] - [ -0.0000224700000000, -0.0002605100000000, -0.0005271300000000 ] - [ -0.0005740200000000, 0.0010380600000000, 0.0006629700000000 ] - [ -0.0001524800000000, -0.0001643500000000, 0.0002052500000000 ] - [ 0.0002948600000000, 0.0000483300000000, 0.0001469800000000 ] - [ 0.0001455600000000, 0.0001393400000000, -0.0001912300000000 ] - [ -0.0002972300000000, 0.0002387200000000, 0.0003025900000000 ] - [ -0.0002993400000000, -0.0003384300000000, 0.0001127400000000 ] - [ 0.0001179700000000, 0.0001351200000000, -0.0000741900000000 ] - [ 0.0001565900000000, 0.0000000100000000, 0.0000575700000000 ] - [ 0.0009654900000000, 0.0000714900000000, 0.0000912300000000 ] - [ 0.0000180700000000, 0.0001740400000000, -0.0001306100000000 ] - [ 0.0006758700000000, -0.0001425700000000, 0.0001128400000000 ] - [ -0.0008686300000000, -0.0000096300000000, 0.0000011000000000 ] - [ -0.0000740500000000, 0.0001372500000000, 0.0001218500000000 ] - [ -0.0001459200000000, 0.0001836500000000, -0.0001569800000000 ] - [ 0.0000095500000000, 0.0004110000000000, 0.0000425300000000 ] - [ -0.0002559000000000, -0.0003681300000000, -0.0000205500000000 ] - [ -0.0009732200000000, -0.0002058000000000, -0.0011006700000000 ] - [ -0.0000338400000000, 0.0001292700000000, -0.0003445400000000 ] - [ -0.0002687800000000, 0.0000429100000000, -0.0002089300000000 ] - [ 0.0013323200000000, 0.0003838200000000, 0.0000255900000000 ] - [ 0.0004131800000000, 0.0003563800000000, -0.0000066200000000 ] - [ -0.0002338000000000, 0.0000125500000000, -0.0001195000000000 ] - [ 0.0004338700000000, 0.0003188900000000, 0.0000603700000000 ] - [ 0.0017009300000000, 0.0016644500000000, -0.0015165800000000 ] - [ -0.0014565200000000, 0.0023190600000000, 0.0004467700000000 ] - [ -0.0004441900000000, 0.0000471800000000, -0.0000926600000000 ] - [ 0.0004369800000000, 0.0001674100000000, -0.0002716900000000 ] - [ 0.0004796800000000, 0.0000359900000000, 0.0000573300000000 ] - [ -0.0022412900000000, -0.0005181000000000, 0.0004795500000000 ] - [ 0.0001556200000000, 0.0007165400000000, -0.0001834200000000 ] - [ -0.0032295900000000, -0.0007415000000000, 0.0001496300000000 ] - [ -0.0004170700000000, -0.0004055300000000, 0.0002496900000000 ] - [ -0.0006705900000000, -0.0002461800000000, -0.0003469700000000 ] - [ 0.0002597200000000, 0.0017382000000000, 0.0011700300000000 ] - [ -0.0068302700000000, 0.0227517700000000, -0.0350607500000000 ] - [ -0.0036486500000000, -0.0005099900000000, -0.0060660100000000 ] - [ 0.0025751200000000, -0.0014801700000000, -0.0002099400000000 ] - [ -0.0001665900000000, -0.0000917800000000, -0.0003879100000000 ] - [ -0.0005133400000000, -0.0000270300000000, -0.0000222500000000 ] - [ -0.0009747500000000, 0.0000313400000000, -0.0003213300000000 ] - [ 0.0001963700000000, 0.0000679600000000, 0.0001873900000000 ] - [ 0.0001548900000000, 0.0000606500000000, -0.0001425500000000 ] - [ 0.0001157900000000, 0.0001906400000000, -0.0000119500000000 ] - [ 0.0002053200000000, -0.0001816300000000, -0.0003814400000000 ] - [ 0.0003208600000000, 0.0004957000000000, 0.0000719000000000 ] - [ -0.0031696300000000, -0.0014623200000000, 0.0008496900000000 ] - [ -0.0006959200000000, -0.0002079500000000, 0.0005450800000000 ] - [ -0.0006919400000000, -0.0003208200000000, 0.0002117200000000 ] - [ -0.0015599700000000, -0.0005665900000000, 0.0009814700000000 ] - [ 0.0153111800000000, 0.0001622100000000, -0.0005014800000000 ] - [ -0.0021021100000000, -0.0017370400000000, -0.0004270200000000 ] - [ 0.0001610300000000, 0.0004908200000000, 0.0002462900000000 ] - [ -0.0000479200000000, 0.0006121200000000, 0.0001634800000000 ] - [ 0.0001033800000000, 0.0000030400000000, 0.0000826800000000 ] - [ 0.0001608100000000, 0.0000212000000000, -0.0004685500000000 ] - [ -0.0003280900000000, 0.0001169000000000, 0.0000357000000000 ] - [ -0.0003207300000000, -0.0004931700000000, 0.0001711700000000 ] - [ -0.0001166600000000, 0.0000808600000000, 0.0004832600000000 ] - [ 0.0000875800000000, 0.0001691900000000, -0.0001883500000000 ] - [ -0.0002241500000000, -0.0003606600000000, 0.0000180200000000 ] - [ 0.0006077700000000, -0.0046075100000000, -0.0039956600000000 ] - [ -0.0013713900000000, 0.0003580300000000, -0.0005081900000000 ] - [ -0.0006793500000000, 0.0015160900000000, 0.0001872700000000 ] - [ -0.0007040100000000, 0.0000295900000000, -0.0001746400000000 ] - [ -0.0003149300000000, 0.0000616800000000, -0.0003742100000000 ] - [ -0.0067071700000000, 0.0026727700000000, 0.0086790900000000 ] - [ 0.0002936100000000, 0.0001915200000000, -0.0002684700000000 ]- atom: 94 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000380100000000, -0.0002146500000000, 0.0000316300000000 ] - [ -0.0000288500000000, -0.0004671900000000, 0.0000490200000000 ] - [ 0.0004046700000000, 0.0004941500000000, -0.0002466600000000 ] - [ -0.0020691600000000, 0.0046314800000000, 0.0015509200000000 ] - [ -0.0001066800000000, -0.0006927800000000, -0.0002401900000000 ] - [ 0.0000920900000000, -0.0010181600000000, 0.0006310600000000 ] - [ -0.0000558400000000, -0.0003624300000000, -0.0002116100000000 ] - [ 0.0004902200000000, 0.0007099700000000, 0.0002772900000000 ] - [ 0.0003497300000000, 0.0002461100000000, 0.0002504900000000 ] - [ -0.0000172800000000, -0.0001933200000000, -0.0000554700000000 ] - [ 0.0000594600000000, 0.0002917700000000, 0.0004471200000000 ] - [ -0.0003464200000000, -0.0018964600000000, -0.0008693200000000 ] - [ 0.0005093500000000, -0.0006304600000000, 0.0000916600000000 ] - [ 0.0005106700000000, 0.0000760000000000, -0.0003865900000000 ] - [ -0.0001000100000000, -0.0008130500000000, 0.0001108700000000 ] - [ -0.0003849200000000, -0.0005450700000000, 0.0002919600000000 ] - [ -0.0000855300000000, -0.0004106000000000, 0.0000136200000000 ] - [ -0.0002573800000000, 0.0004824600000000, -0.0009854000000000 ] - [ -0.0004069700000000, -0.0003673400000000, -0.0001992700000000 ] - [ -0.0003834400000000, 0.0009116900000000, 0.0002167900000000 ] - [ 0.0002786200000000, -0.0003434800000000, -0.0000322400000000 ] - [ -0.0000577600000000, -0.0001241100000000, 0.0000426200000000 ] - [ -0.0018541000000000, 0.0016256700000000, 0.0022712900000000 ] - [ -0.0020626100000000, 0.0016697500000000, -0.0001765300000000 ] - [ 0.0000431200000000, -0.0003819600000000, 0.0003566800000000 ] - [ 0.0005177500000000, -0.0008941600000000, -0.0006931600000000 ] - [ 0.0048232400000000, 0.0008783300000000, 0.0031298600000000 ] - [ -0.0004199900000000, -0.0005199600000000, 0.0010183900000000 ] - [ 0.0000619000000000, -0.0013084900000000, -0.0002814000000000 ] - [ 0.0005539700000000, 0.0018612800000000, 0.0000633300000000 ] - [ -0.0000773200000000, -0.0010013700000000, 0.0005040100000000 ] - [ 0.0000557300000000, -0.0009957400000000, 0.0001541100000000 ] - [ -0.0001167000000000, -0.0006159200000000, 0.0005155200000000 ] - [ -0.0005208400000000, -0.0021621100000000, -0.0006443800000000 ] - [ -0.0021306900000000, -0.0018866600000000, 0.0004268100000000 ] - [ 0.0016930000000000, -0.0030875900000000, 0.0004843600000000 ] - [ 0.0001371300000000, 0.0013310800000000, -0.0007545300000000 ] - [ 0.0002541600000000, -0.0016575400000000, -0.0002660900000000 ] - [ 0.0002381000000000, -0.0009355100000000, 0.0008886800000000 ] - [ 0.0000137700000000, -0.0014692900000000, -0.0002453200000000 ] - [ -0.0022746000000000, 0.0034837900000000, -0.0039223200000000 ] - [ 0.0009344000000000, 0.0023389900000000, 0.0008629400000000 ] - [ 0.0020556800000000, -0.0009706400000000, -0.0015982500000000 ] - [ -0.0005498500000000, -0.0023588400000000, -0.0002199500000000 ] - [ -0.0006303500000000, 0.0018172500000000, 0.0003398100000000 ] - [ -0.0031082700000000, 0.0169073600000000, -0.0058929700000000 ] - [ 0.0001524500000000, 0.0119391600000000, -0.0021237200000000 ] - [ -0.0015499400000000, -0.0010342600000000, -0.0012346100000000 ] - [ 0.0002052400000000, -0.0004051300000000, -0.0000187700000000 ] - [ 0.0001225400000000, -0.0004039500000000, 0.0000649700000000 ] - [ 0.0019514600000000, 0.0015085600000000, -0.0010290600000000 ] - [ -0.0002221200000000, 0.0001098800000000, -0.0000728300000000 ] - [ -0.0005524300000000, 0.0013171600000000, 0.0012944500000000 ] - [ -0.0002823900000000, -0.0004331100000000, 0.0002769500000000 ] - [ -0.0010320700000000, -0.0043731500000000, 0.0002116600000000 ] - [ 0.0000759800000000, -0.0010158400000000, -0.0009664400000000 ] - [ -0.0000414900000000, -0.0001373800000000, -0.0002040600000000 ] - [ 0.0002315800000000, -0.0015061000000000, 0.0002800700000000 ] - [ 0.0004086400000000, 0.0005300100000000, -0.0000944400000000 ] - [ 0.0008189900000000, 0.0004235800000000, -0.0003134900000000 ] - [ -0.0004953300000000, 0.0011729600000000, 0.0018819600000000 ] - [ -0.0002126200000000, -0.0003226100000000, 0.0004605100000000 ] - [ -0.0018568300000000, -0.0040005400000000, 0.0007537200000000 ] - [ 0.0014351000000000, 0.0002982200000000, 0.0001841400000000 ] - [ -0.0003954400000000, -0.0006409400000000, -0.0005488500000000 ] - [ -0.0023450100000000, 0.0550150300000000, -0.0016469000000000 ] - [ 0.0016340100000000, -0.0026916700000000, 0.0010010600000000 ] - [ 0.0005959200000000, 0.0014608000000000, -0.0008892400000000 ] - [ 0.0002859900000000, -0.0003626700000000, -0.0001487900000000 ] - [ -0.0001185900000000, -0.0005800000000000, 0.0003003700000000 ] - [ -0.0047852000000000, -0.0029014200000000, 0.0014074900000000 ] - [ 0.0002221400000000, -0.0006110400000000, 0.0000993900000000 ] - [ 0.0000775900000000, -0.0000244700000000, -0.0001342200000000 ] - [ 0.0001591000000000, -0.0003793300000000, 0.0000791300000000 ] - [ 0.0008469100000000, -0.0002250800000000, 0.0002022900000000 ] - [ -0.0003899600000000, -0.0007589300000000, 0.0001935600000000 ] - [ 0.0001231200000000, -0.0014571300000000, -0.0000627300000000 ] - [ 0.0000161500000000, -0.0012166600000000, -0.0000919700000000 ] - [ -0.0037320200000000, 0.0050763100000000, -0.0005069500000000 ] - [ -0.0004453000000000, 0.0022266200000000, -0.0000064900000000 ] - [ 0.0002563800000000, 0.0009784500000000, -0.0000425600000000 ] - [ -0.0000109700000000, 0.0000206300000000, 0.0004493800000000 ] - [ -0.0000661000000000, 0.0005162700000000, 0.0001193900000000 ] - [ -0.0001716800000000, 0.0011163400000000, -0.0003206200000000 ] - [ 0.0001273200000000, -0.0027813600000000, -0.0010469500000000 ] - [ -0.0001142700000000, 0.0004621600000000, -0.0008451200000000 ] - [ -0.0001044300000000, 0.0005356800000000, 0.0000073000000000 ] - [ -0.0000779900000000, 0.0008589500000000, 0.0000734600000000 ] - [ -0.0002674100000000, 0.0004808500000000, 0.0005720900000000 ] - [ 0.0011019900000000, 0.0012422800000000, 0.0003027500000000 ] - [ 0.0001131800000000, -0.0003027900000000, 0.0000959500000000 ] - [ -0.0001899300000000, 0.0013163900000000, 0.0000182900000000 ] - [ -0.0005582300000000, 0.0011846700000000, 0.0005145500000000 ] - [ 0.0358660500000000, -0.0967204700000000, 0.0081342600000000 ] - [ 0.0003228200000000, -0.0025243400000000, -0.0005604700000000 ] - [ -0.0000039000000000, -0.0007713700000000, -0.0003969600000000 ] - [ 0.0011715900000000, -0.0001763800000000, 0.0005273700000000 ] - [ 0.0000970500000000, 0.0002806400000000, -0.0001874400000000 ] - [ 0.0010068900000000, 0.0012323100000000, -0.0021279900000000 ] - [ 0.0001306600000000, 0.0005942700000000, -0.0012764100000000 ] - [ 0.0009092200000000, -0.0014967500000000, -0.0060564600000000 ] - [ -0.0010009900000000, 0.0010489100000000, -0.0019051000000000 ] - [ 0.0002966900000000, 0.0004577000000000, 0.0001733900000000 ] - [ -0.0002504000000000, -0.0001409300000000, 0.0002545800000000 ] - [ 0.0023355800000000, 0.0021822700000000, -0.0029942400000000 ] - [ 0.0006845900000000, -0.0011411200000000, -0.0006457500000000 ] - [ 0.0014011600000000, 0.0008752700000000, 0.0009154000000000 ] - [ 0.0004842100000000, 0.0004069100000000, 0.0002373800000000 ] - [ 0.0004661000000000, -0.0003675800000000, 0.0001235100000000 ] - [ -0.0008978700000000, 0.0016811100000000, 0.0007413100000000 ] - [ -0.0000722400000000, 0.0002396300000000, 0.0000886900000000 ] - [ 0.0000800400000000, 0.0008092700000000, 0.0001857200000000 ] - [ 0.0005324900000000, 0.0007326700000000, -0.0010650000000000 ] - [ 0.0002130900000000, 0.0004851700000000, 0.0000944800000000 ] - [ -0.0005212200000000, -0.0006932500000000, -0.0005965200000000 ] - [ 0.0004695800000000, 0.0006247900000000, -0.0001925600000000 ] - [ 0.0001899400000000, -0.0003830500000000, 0.0002633300000000 ] - [ 0.0010613400000000, 0.0031342600000000, 0.0004722100000000 ] - [ -0.0005325500000000, 0.0020263000000000, 0.0000051000000000 ] - [ -0.0003738600000000, -0.0013518500000000, 0.0007743000000000 ] - [ -0.0002290700000000, -0.0003021000000000, -0.0000486000000000 ] - [ -0.0003280700000000, 0.0010569800000000, 0.0000002200000000 ] - [ -0.0000865700000000, 0.0008203000000000, -0.0000784700000000 ] - [ 0.0000595300000000, 0.0008950200000000, -0.0000632800000000 ] - [ 0.0000524100000000, 0.0002779900000000, -0.0000690400000000 ] - [ -0.0001979000000000, -0.0010043800000000, 0.0001799000000000 ] - [ -0.0000816000000000, 0.0007866000000000, -0.0004668400000000 ] - [ -0.0000228400000000, 0.0004703000000000, 0.0003639100000000 ] - [ 0.0005615900000000, -0.0003475200000000, -0.0006308400000000 ] - [ 0.0004386600000000, 0.0008492900000000, -0.0000026400000000 ] - [ -0.0002983900000000, 0.0003075400000000, -0.0000933600000000 ] - [ 0.0001251900000000, 0.0009103000000000, 0.0001739800000000 ] - [ -0.0008886900000000, 0.0049062500000000, -0.0040502400000000 ] - [ -0.0004910500000000, -0.0002209200000000, 0.0002353300000000 ] - [ -0.0005077200000000, 0.0005628100000000, 0.0000088100000000 ] - [ -0.0005304100000000, 0.0005309300000000, 0.0007342300000000 ] - [ 0.0000920500000000, 0.0009543700000000, -0.0000818200000000 ] - [ -0.0007056000000000, -0.0014849600000000, 0.0002106200000000 ] - [ 0.0001915200000000, 0.0016448300000000, -0.0001424900000000 ] - [ -0.0015948100000000, -0.0013264200000000, -0.0001603300000000 ] - [ -0.0003738500000000, 0.0002712200000000, 0.0002676100000000 ] - [ -0.0004890100000000, -0.0009818000000000, 0.0000044100000000 ] - [ -0.0002705700000000, 0.0068526700000000, 0.0050459000000000 ] - [ -0.0250781500000000, 0.0026546000000000, -0.0346410300000000 ] - [ -0.0017143800000000, -0.0037428400000000, -0.0002240500000000 ] - [ 0.0054718200000000, 0.0055728900000000, -0.0029320100000000 ] - [ -0.0001809200000000, -0.0005756800000000, 0.0018050500000000 ] - [ -0.0006122100000000, 0.0007034300000000, -0.0000156200000000 ] - [ -0.0008364900000000, -0.0006913800000000, -0.0002982500000000 ] - [ -0.0000165400000000, 0.0008653600000000, 0.0001155600000000 ] - [ -0.0000288200000000, 0.0007626000000000, -0.0000404800000000 ] - [ -0.0000963700000000, 0.0001140600000000, 0.0005294100000000 ] - [ 0.0003577200000000, 0.0002399300000000, -0.0004693500000000 ] - [ 0.0003565900000000, 0.0009605200000000, 0.0001729400000000 ] - [ -0.0023735700000000, -0.0022364700000000, 0.0009851000000000 ] - [ -0.0002462500000000, -0.0006336100000000, -0.0002779000000000 ] - [ 0.0004346900000000, -0.0008759000000000, 0.0000209800000000 ] - [ -0.0005910000000000, -0.0012925800000000, 0.0001938900000000 ] - [ 0.0025785000000000, -0.0031986400000000, 0.0355893400000000 ] - [ 0.0012742500000000, -0.0016039000000000, -0.0000045200000000 ] - [ -0.0001835000000000, 0.0006373500000000, 0.0002602400000000 ] - [ 0.0000848600000000, 0.0019283000000000, 0.0000440600000000 ] - [ -0.0006010100000000, -0.0002649800000000, -0.0000533900000000 ] - [ 0.0001010900000000, 0.0000960700000000, -0.0005110200000000 ] - [ -0.0006879000000000, 0.0005107700000000, 0.0000723400000000 ] - [ 0.0002890100000000, 0.0007091500000000, 0.0006500000000000 ] - [ -0.0000312500000000, 0.0005305300000000, 0.0003165400000000 ] - [ 0.0000748800000000, 0.0006831100000000, -0.0001852000000000 ] - [ 0.0003455100000000, 0.0006222000000000, 0.0002368800000000 ] - [ 0.0050595600000000, -0.0011851100000000, 0.0061171300000000 ] - [ -0.0012786800000000, -0.0001638000000000, -0.0007482200000000 ] - [ -0.0051152800000000, 0.0017110400000000, -0.0023276600000000 ] - [ -0.0002963400000000, 0.0001599300000000, 0.0001797100000000 ] - [ -0.0002098200000000, 0.0005579200000000, -0.0002516000000000 ] - [ -0.0022216900000000, -0.0043602800000000, 0.0040453600000000 ] - [ 0.0004676000000000, 0.0006740600000000, -0.0002725300000000 ]- atom: 94 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001526100000000, 0.0000047700000000, 0.0001566100000000 ] - [ -0.0000997900000000, 0.0009110300000000, -0.0001061000000000 ] - [ 0.0002137400000000, -0.0005086800000000, 0.0000996400000000 ] - [ 0.0019552100000000, -0.0051738900000000, -0.0012311700000000 ] - [ 0.0000150900000000, 0.0000293100000000, -0.0000375700000000 ] - [ -0.0002856400000000, 0.0008044100000000, -0.0008255000000000 ] - [ -0.0001346800000000, 0.0005782700000000, 0.0000284200000000 ] - [ 0.0003797700000000, -0.0003773800000000, -0.0000551700000000 ] - [ -0.0002886900000000, -0.0003487900000000, -0.0003606300000000 ] - [ -0.0000414100000000, 0.0002975000000000, 0.0001714300000000 ] - [ 0.0000319300000000, 0.0003747200000000, -0.0001640500000000 ] - [ 0.0004759400000000, 0.0014745100000000, 0.0009174100000000 ] - [ 0.0003589300000000, 0.0002969000000000, 0.0001248900000000 ] - [ -0.0004510300000000, 0.0000298800000000, 0.0002699500000000 ] - [ 0.0000427900000000, 0.0007136600000000, 0.0000009400000000 ] - [ -0.0002330300000000, 0.0005363900000000, -0.0001454400000000 ] - [ -0.0000420800000000, -0.0000315500000000, -0.0000675100000000 ] - [ -0.0006131400000000, -0.0008228400000000, 0.0007754400000000 ] - [ -0.0004614200000000, 0.0007058600000000, -0.0000199100000000 ] - [ 0.0005089500000000, -0.0004699000000000, -0.0001576200000000 ] - [ 0.0003392800000000, 0.0003552800000000, -0.0001123900000000 ] - [ -0.0000329000000000, 0.0007899700000000, -0.0003246600000000 ] - [ 0.0012189300000000, -0.0016479800000000, -0.0021259700000000 ] - [ 0.0022654800000000, -0.0014443100000000, 0.0003507900000000 ] - [ 0.0004877100000000, 0.0000754900000000, 0.0005662900000000 ] - [ -0.0004554900000000, 0.0004354000000000, 0.0009843400000000 ] - [ -0.0051243100000000, -0.0019475800000000, -0.0024579000000000 ] - [ -0.0001062900000000, 0.0001922200000000, -0.0019497600000000 ] - [ -0.0001307400000000, 0.0017876000000000, -0.0000059100000000 ] - [ -0.0003701500000000, -0.0015538900000000, -0.0009294600000000 ] - [ -0.0001085500000000, 0.0013195400000000, 0.0003666600000000 ] - [ 0.0000605500000000, 0.0013752300000000, -0.0000681200000000 ] - [ -0.0002555300000000, 0.0016461900000000, 0.0001516200000000 ] - [ -0.0000017100000000, 0.0024967500000000, -0.0002716800000000 ] - [ 0.0020046500000000, 0.0015089500000000, -0.0005164800000000 ] - [ -0.0014992500000000, 0.0027678400000000, -0.0013569500000000 ] - [ 0.0002634700000000, -0.0011554500000000, 0.0006759200000000 ] - [ 0.0001161800000000, 0.0006386200000000, -0.0003944400000000 ] - [ -0.0003038900000000, 0.0004531900000000, -0.0011790600000000 ] - [ 0.0003851400000000, 0.0012939100000000, 0.0001560300000000 ] - [ 0.0021769500000000, -0.0031187200000000, 0.0039347100000000 ] - [ -0.0004107500000000, -0.0020210900000000, 0.0000543400000000 ] - [ -0.0019668300000000, 0.0005975600000000, 0.0016988300000000 ] - [ 0.0001501500000000, 0.0025475000000000, 0.0002997200000000 ] - [ 0.0002266500000000, -0.0020149900000000, -0.0002418800000000 ] - [ 0.0040105200000000, -0.0174319900000000, 0.0049952900000000 ] - [ -0.0000971800000000, -0.0115007000000000, 0.0023299800000000 ] - [ 0.0013770400000000, 0.0007204600000000, 0.0021208000000000 ] - [ -0.0005208700000000, -0.0000692300000000, -0.0000350300000000 ] - [ -0.0000513500000000, 0.0008056300000000, 0.0001037900000000 ] - [ -0.0014983400000000, -0.0014353700000000, 0.0003266400000000 ] - [ 0.0005200300000000, -0.0002443400000000, 0.0006237200000000 ] - [ 0.0009670500000000, -0.0006739300000000, -0.0015312300000000 ] - [ -0.0001381400000000, 0.0011017100000000, -0.0000390100000000 ] - [ 0.0013625800000000, 0.0039429200000000, -0.0001632000000000 ] - [ 0.0002242800000000, 0.0002364300000000, 0.0005078700000000 ] - [ 0.0000748000000000, 0.0007489600000000, -0.0000116300000000 ] - [ 0.0001870900000000, 0.0008480600000000, -0.0005198700000000 ] - [ -0.0004785100000000, -0.0001438000000000, -0.0000748900000000 ] - [ -0.0008647100000000, -0.0010327600000000, 0.0005352900000000 ] - [ 0.0002029900000000, -0.0010442200000000, -0.0024187100000000 ] - [ 0.0005077000000000, 0.0004578000000000, 0.0000799700000000 ] - [ 0.0018156600000000, 0.0045957800000000, -0.0005363400000000 ] - [ -0.0018469000000000, -0.0009718000000000, 0.0000579100000000 ] - [ 0.0001042200000000, 0.0005115200000000, -0.0000064000000000 ] - [ 0.0022730600000000, -0.0552768100000000, 0.0005077200000000 ] - [ -0.0018992200000000, 0.0029682600000000, -0.0008737200000000 ] - [ -0.0002972200000000, -0.0006887500000000, 0.0004450200000000 ] - [ -0.0005901100000000, 0.0011460900000000, 0.0006023000000000 ] - [ 0.0003733300000000, 0.0008409300000000, -0.0004373100000000 ] - [ 0.0043806800000000, 0.0028598000000000, -0.0007246900000000 ] - [ 0.0000928000000000, 0.0010899500000000, -0.0000459000000000 ] - [ -0.0003814700000000, -0.0007623300000000, 0.0005961400000000 ] - [ -0.0006107100000000, 0.0004505900000000, 0.0006179600000000 ] - [ -0.0003953200000000, 0.0001575600000000, -0.0008898000000000 ] - [ 0.0001378000000000, 0.0005015100000000, -0.0000503800000000 ] - [ -0.0001938800000000, 0.0010648000000000, -0.0001059700000000 ] - [ 0.0000172200000000, 0.0006062400000000, -0.0001245900000000 ] - [ 0.0038255400000000, -0.0054978100000000, 0.0006737700000000 ] - [ 0.0001431900000000, -0.0017444800000000, -0.0000457200000000 ] - [ 0.0002180700000000, -0.0001767800000000, 0.0001079400000000 ] - [ -0.0001224200000000, -0.0000372900000000, 0.0003768800000000 ] - [ -0.0004871300000000, -0.0006881800000000, 0.0003520800000000 ] - [ -0.0000998300000000, -0.0003399500000000, 0.0000788900000000 ] - [ -0.0000727400000000, 0.0026598100000000, 0.0017033800000000 ] - [ 0.0005975500000000, -0.0003909200000000, 0.0010539600000000 ] - [ 0.0005958700000000, -0.0006449800000000, -0.0002625000000000 ] - [ -0.0004839100000000, -0.0007763200000000, -0.0002763100000000 ] - [ -0.0001231200000000, -0.0005522700000000, -0.0001648800000000 ] - [ -0.0006405700000000, -0.0020588900000000, -0.0002395900000000 ] - [ 0.0001160400000000, 0.0004465700000000, 0.0001798200000000 ] - [ -0.0000861700000000, -0.0002299500000000, 0.0003308800000000 ] - [ 0.0000768500000000, -0.0006743400000000, 0.0003262500000000 ] - [ -0.0353810400000000, 0.0981098000000000, -0.0064452900000000 ] - [ -0.0004722300000000, 0.0013650000000000, 0.0008893400000000 ] - [ 0.0002211200000000, -0.0003452400000000, 0.0000307200000000 ] - [ -0.0009178000000000, 0.0009439900000000, -0.0002932600000000 ] - [ 0.0000548600000000, -0.0014637500000000, -0.0001499400000000 ] - [ -0.0014094600000000, -0.0011728500000000, 0.0025675400000000 ] - [ -0.0005226600000000, 0.0002855000000000, 0.0012110600000000 ] - [ -0.0007781700000000, 0.0015085300000000, 0.0052247300000000 ] - [ 0.0004329000000000, -0.0010177700000000, 0.0013520300000000 ] - [ 0.0002742400000000, -0.0004329000000000, 0.0003931300000000 ] - [ 0.0000314000000000, -0.0009895500000000, 0.0001127200000000 ] - [ -0.0020438900000000, -0.0032461400000000, 0.0026272800000000 ] - [ -0.0009198200000000, 0.0012356400000000, 0.0008346700000000 ] - [ -0.0019003000000000, -0.0008100000000000, -0.0011382500000000 ] - [ -0.0000074100000000, 0.0001043500000000, -0.0010810600000000 ] - [ -0.0002327800000000, 0.0002806000000000, -0.0003221000000000 ] - [ 0.0005700000000000, -0.0011401200000000, -0.0001510000000000 ] - [ -0.0002615300000000, -0.0007857600000000, 0.0004979100000000 ] - [ 0.0004892600000000, -0.0009024600000000, 0.0000237400000000 ] - [ -0.0001991100000000, -0.0001896800000000, 0.0004757600000000 ] - [ -0.0001440700000000, -0.0003624100000000, 0.0005688700000000 ] - [ 0.0000412700000000, 0.0001842500000000, 0.0014285800000000 ] - [ -0.0002356200000000, -0.0005376800000000, 0.0000005100000000 ] - [ 0.0003776900000000, 0.0004786100000000, -0.0000612500000000 ] - [ -0.0007325900000000, -0.0029865300000000, -0.0001370200000000 ] - [ 0.0002675100000000, -0.0028262000000000, -0.0002483100000000 ] - [ 0.0007112300000000, 0.0012159900000000, -0.0004546200000000 ] - [ -0.0002540300000000, 0.0011004100000000, -0.0000165000000000 ] - [ 0.0000527000000000, -0.0012991400000000, 0.0003320600000000 ] - [ -0.0002396300000000, -0.0009622400000000, -0.0002540400000000 ] - [ 0.0001583500000000, -0.0005633900000000, 0.0001816400000000 ] - [ -0.0004374700000000, -0.0011456700000000, 0.0000083100000000 ] - [ -0.0000352700000000, 0.0008721400000000, -0.0004695400000000 ] - [ 0.0000126900000000, -0.0009103700000000, -0.0001963500000000 ] - [ -0.0002073900000000, -0.0003358700000000, -0.0006425100000000 ] - [ 0.0003898000000000, 0.0005022400000000, 0.0007552600000000 ] - [ 0.0005269400000000, -0.0002661100000000, -0.0001299000000000 ] - [ -0.0001870600000000, -0.0003796300000000, -0.0001252300000000 ] - [ -0.0003635400000000, -0.0010025900000000, 0.0000253400000000 ] - [ 0.0006552600000000, -0.0051931800000000, 0.0038976000000000 ] - [ 0.0006427000000000, 0.0014148100000000, -0.0005773600000000 ] - [ -0.0004318000000000, -0.0004272800000000, -0.0001325300000000 ] - [ 0.0008194400000000, 0.0005449900000000, -0.0010952300000000 ] - [ 0.0008531400000000, -0.0011017600000000, 0.0002052000000000 ] - [ 0.0010960900000000, 0.0014166700000000, -0.0006182400000000 ] - [ 0.0000253000000000, -0.0005205600000000, -0.0002256900000000 ] - [ 0.0006564800000000, 0.0011916100000000, 0.0000390400000000 ] - [ 0.0001000100000000, -0.0013597800000000, 0.0000800000000000 ] - [ -0.0000742100000000, 0.0008982300000000, -0.0002178500000000 ] - [ 0.0002039000000000, -0.0068279800000000, -0.0057965500000000 ] - [ 0.0246233700000000, -0.0022416800000000, 0.0352659300000000 ] - [ 0.0014993300000000, 0.0048861100000000, 0.0006086300000000 ] - [ -0.0050459900000000, -0.0055284200000000, 0.0027273300000000 ] - [ -0.0000525900000000, 0.0004430500000000, -0.0013998700000000 ] - [ -0.0003553300000000, -0.0012926300000000, 0.0001468800000000 ] - [ 0.0003620800000000, -0.0001123600000000, 0.0002323100000000 ] - [ 0.0002457200000000, -0.0010067800000000, 0.0001669700000000 ] - [ 0.0002612000000000, -0.0008975900000000, -0.0003806800000000 ] - [ 0.0003315800000000, 0.0000220300000000, -0.0009635500000000 ] - [ 0.0001231700000000, -0.0007518900000000, -0.0003638100000000 ] - [ 0.0000299500000000, -0.0000996600000000, -0.0001153100000000 ] - [ 0.0018760600000000, 0.0021325000000000, -0.0007245500000000 ] - [ -0.0000292900000000, 0.0008802700000000, 0.0006090700000000 ] - [ -0.0001639000000000, 0.0000967700000000, 0.0002227600000000 ] - [ 0.0010838400000000, 0.0012228900000000, 0.0000267800000000 ] - [ -0.0022887700000000, 0.0024704200000000, -0.0361586100000000 ] - [ -0.0010079600000000, 0.0013710700000000, -0.0003275800000000 ] - [ 0.0003187400000000, -0.0006617400000000, -0.0010864500000000 ] - [ -0.0002348600000000, -0.0007525400000000, 0.0002960800000000 ] - [ 0.0003924600000000, 0.0005930800000000, -0.0000653300000000 ] - [ 0.0002904800000000, -0.0000327600000000, 0.0000880500000000 ] - [ 0.0002012600000000, -0.0004080000000000, 0.0001766500000000 ] - [ -0.0005215200000000, -0.0005749500000000, -0.0002182000000000 ] - [ -0.0001014500000000, -0.0005137500000000, 0.0005173500000000 ] - [ 0.0002007800000000, -0.0004476200000000, -0.0001463800000000 ] - [ -0.0001294800000000, -0.0009560600000000, -0.0001214600000000 ] - [ -0.0041274700000000, 0.0006181300000000, -0.0063004000000000 ] - [ 0.0003088700000000, 0.0007585700000000, 0.0008761700000000 ] - [ 0.0057259000000000, -0.0018778500000000, 0.0019048100000000 ] - [ -0.0000279300000000, -0.0000178300000000, -0.0005147700000000 ] - [ -0.0003628900000000, -0.0005874500000000, -0.0003257200000000 ] - [ 0.0025791300000000, 0.0035457800000000, -0.0039699600000000 ] - [ 0.0000851500000000, -0.0005024900000000, -0.0002017800000000 ]- atom: 94 displacement: [ -0.0035230240541542, 0.0000000000000000, 0.0093588621911988 ] forces: - [ -0.0000217700000000, -0.0005917300000000, -0.0007341400000000 ] - [ -0.0000279200000000, 0.0002291400000000, 0.0002125600000000 ] - [ 0.0002161100000000, -0.0000341900000000, 0.0010216500000000 ] - [ -0.0018240000000000, 0.0013458900000000, 0.0055648700000000 ] - [ -0.0000695600000000, -0.0004417900000000, -0.0003566500000000 ] - [ -0.0000242100000000, 0.0006510100000000, 0.0001512700000000 ] - [ -0.0000930400000000, 0.0000187500000000, -0.0002444400000000 ] - [ -0.0001646700000000, 0.0002334100000000, -0.0011926600000000 ] - [ -0.0010544600000000, 0.0005351700000000, -0.0013223300000000 ] - [ -0.0000063100000000, -0.0000485300000000, -0.0003271700000000 ] - [ 0.0001282500000000, 0.0009051600000000, -0.0009702200000000 ] - [ -0.0004436900000000, -0.0035591400000000, 0.0006851200000000 ] - [ 0.0005115500000000, -0.0001722600000000, 0.0004383300000000 ] - [ 0.0004533200000000, -0.0003612600000000, 0.0003360500000000 ] - [ -0.0000505200000000, -0.0000161200000000, 0.0003314700000000 ] - [ -0.0002553200000000, 0.0003103000000000, -0.0002365900000000 ] - [ -0.0000854900000000, -0.0000478500000000, -0.0005172400000000 ] - [ -0.0002727100000000, -0.0015728900000000, -0.0012670700000000 ] - [ -0.0004202500000000, -0.0000309900000000, 0.0000199500000000 ] - [ 0.0014786800000000, 0.0007111600000000, -0.0013189900000000 ] - [ 0.0002922800000000, -0.0000468300000000, -0.0003162500000000 ] - [ -0.0001191900000000, 0.0004741800000000, 0.0000966200000000 ] - [ 0.0034562700000000, 0.0031944600000000, -0.0020202000000000 ] - [ 0.0019677900000000, 0.0004220600000000, 0.0032187700000000 ] - [ -0.0008838100000000, -0.0020695600000000, -0.0004865800000000 ] - [ 0.0012555200000000, -0.0022056600000000, -0.0009408100000000 ] - [ -0.0094304600000000, 0.0037635200000000, -0.0011304400000000 ] - [ 0.0002446600000000, 0.0009119600000000, -0.0010993200000000 ] - [ -0.0000800000000000, -0.0000141900000000, 0.0001111500000000 ] - [ 0.0010002900000000, 0.0006242900000000, -0.0041535000000000 ] - [ -0.0001186200000000, 0.0000990700000000, 0.0002997800000000 ] - [ 0.0001065100000000, 0.0002378000000000, -0.0001464500000000 ] - [ -0.0001120300000000, 0.0009109500000000, -0.0002704100000000 ] - [ -0.0003157400000000, -0.0001158500000000, -0.0004153300000000 ] - [ 0.0024936700000000, 0.0025013500000000, 0.0004403800000000 ] - [ -0.0017219100000000, 0.0023437200000000, 0.0005083100000000 ] - [ 0.0004923300000000, -0.0006593300000000, -0.0024656300000000 ] - [ 0.0003018700000000, -0.0007100500000000, -0.0012142000000000 ] - [ -0.0006409100000000, 0.0010752300000000, -0.0012657400000000 ] - [ 0.0000950900000000, -0.0005770500000000, 0.0004327700000000 ] - [ -0.0021721300000000, 0.0006730500000000, -0.0156521400000000 ] - [ -0.0014922300000000, 0.0019271000000000, 0.0021421800000000 ] - [ 0.0004145800000000, -0.0020200100000000, 0.0010552400000000 ] - [ -0.0002947800000000, 0.0008766600000000, 0.0016646800000000 ] - [ 0.0019180300000000, 0.0004277900000000, -0.0038125000000000 ] - [ -0.0020523700000000, 0.0004340400000000, 0.0183198800000000 ] - [ -0.0042832500000000, -0.0110957700000000, 0.0365636700000000 ] - [ -0.0012119000000000, -0.0032666400000000, 0.0010173700000000 ] - [ -0.0001019100000000, 0.0005002400000000, -0.0000453900000000 ] - [ 0.0000704800000000, -0.0002725500000000, 0.0000447800000000 ] - [ 0.0001294600000000, -0.0009252300000000, 0.0024404900000000 ] - [ -0.0000009000000000, -0.0003462700000000, -0.0014306000000000 ] - [ 0.0009016200000000, 0.0023908400000000, -0.0008567400000000 ] - [ -0.0001589000000000, -0.0003663300000000, 0.0001615500000000 ] - [ -0.0000972600000000, -0.0014620400000000, 0.0000048100000000 ] - [ -0.0000772200000000, 0.0001489100000000, 0.0010930200000000 ] - [ -0.0001193400000000, -0.0002063900000000, -0.0000380900000000 ] - [ 0.0002913600000000, 0.0000538500000000, -0.0003030200000000 ] - [ -0.0003528700000000, 0.0011987900000000, -0.0000521200000000 ] - [ 0.0026031400000000, -0.0009259800000000, -0.0009980300000000 ] - [ 0.0000826600000000, -0.0017254000000000, -0.0090283000000000 ] - [ 0.0001255700000000, -0.0000185700000000, 0.0007535600000000 ] - [ -0.0009165900000000, 0.0057956600000000, 0.0005306100000000 ] - [ 0.0087226500000000, -0.0036683300000000, -0.0010199900000000 ] - [ -0.0003926900000000, -0.0007849800000000, 0.0016316200000000 ] - [ 0.0236093700000000, 0.0038673000000000, 0.1725968600000000 ] - [ -0.0002155400000000, 0.0007571100000000, 0.0012660200000000 ] - [ 0.0003195800000000, 0.0024653300000000, -0.0033723200000000 ] - [ -0.0000475000000000, 0.0005528800000000, 0.0007331900000000 ] - [ 0.0002035400000000, 0.0009593500000000, -0.0016547000000000 ] - [ 0.0007527600000000, 0.0002851700000000, 0.0014366800000000 ] - [ 0.0002507500000000, 0.0004006100000000, -0.0000106500000000 ] - [ -0.0002954700000000, -0.0002142600000000, -0.0007785700000000 ] - [ -0.0002470100000000, -0.0000694100000000, -0.0001437200000000 ] - [ -0.0002649600000000, -0.0001342900000000, -0.0018278900000000 ] - [ -0.0001972300000000, -0.0000789400000000, -0.0003625400000000 ] - [ -0.0001562200000000, -0.0000617300000000, -0.0000609300000000 ] - [ -0.0000550500000000, -0.0000749700000000, -0.0001174500000000 ] - [ -0.0049627300000000, -0.0026425600000000, 0.0003869900000000 ] - [ -0.0030627100000000, -0.0013836200000000, -0.0003021900000000 ] - [ 0.0001508200000000, 0.0002196800000000, 0.0001708600000000 ] - [ -0.0000542600000000, 0.0000408000000000, 0.0021396300000000 ] - [ -0.0003463600000000, -0.0004595300000000, 0.0007915700000000 ] - [ -0.0001634500000000, 0.0000676200000000, 0.0000001500000000 ] - [ 0.0027893000000000, 0.0008947700000000, 0.0023006200000000 ] - [ 0.0007487800000000, -0.0004823000000000, 0.0012309500000000 ] - [ 0.0000958400000000, 0.0000177500000000, 0.0002102600000000 ] - [ 0.0000069700000000, 0.0003312800000000, -0.0010198900000000 ] - [ -0.0002263500000000, 0.0000708800000000, 0.0006280900000000 ] - [ 0.0004129300000000, 0.0001585100000000, -0.0001748300000000 ] - [ 0.0000806700000000, -0.0000400800000000, 0.0012951900000000 ] - [ -0.0001262600000000, 0.0001495200000000, 0.0002692700000000 ] - [ -0.0001916200000000, 0.0007749300000000, -0.0011128100000000 ] - [ -0.0540599200000000, -0.0063948700000000, -0.3241896700000000 ] - [ -0.0005967800000000, -0.0031684500000000, 0.0023448800000000 ] - [ 0.0002501900000000, -0.0012910500000000, -0.0000790200000000 ] - [ 0.0027828600000000, 0.0024409800000000, 0.0016348400000000 ] - [ 0.0000863100000000, -0.0001252300000000, -0.0003270000000000 ] - [ -0.0003046700000000, -0.0002894800000000, -0.0005054800000000 ] - [ 0.0003399400000000, -0.0012425900000000, 0.0011866800000000 ] - [ -0.0017399900000000, 0.0030277000000000, 0.0188130200000000 ] - [ -0.0001744700000000, -0.0012535700000000, -0.0013267600000000 ] - [ 0.0002064100000000, 0.0001224900000000, 0.0018048300000000 ] - [ -0.0001503800000000, -0.0001302800000000, 0.0004158200000000 ] - [ -0.0028590400000000, -0.0080089200000000, 0.0004286700000000 ] - [ -0.0027102700000000, 0.0016596600000000, 0.0042825400000000 ] - [ -0.0006887100000000, 0.0001356900000000, -0.0015745900000000 ] - [ 0.0007166800000000, 0.0008399600000000, 0.0005549800000000 ] - [ -0.0000222000000000, 0.0003935800000000, 0.0008987200000000 ] - [ 0.0000078200000000, -0.0004432400000000, -0.0009430800000000 ] - [ -0.0001536400000000, -0.0003847200000000, 0.0006560800000000 ] - [ 0.0001296100000000, -0.0000449500000000, -0.0003075900000000 ] - [ -0.0002934800000000, -0.0007864600000000, 0.0010539100000000 ] - [ -0.0002283400000000, -0.0007568300000000, 0.0005369200000000 ] - [ 0.0009404100000000, -0.0003777500000000, 0.0052360500000000 ] - [ 0.0002419700000000, 0.0001685800000000, -0.0003584100000000 ] - [ 0.0004813600000000, 0.0001324800000000, 0.0012747300000000 ] - [ -0.0001606500000000, -0.0038921600000000, -0.0003039700000000 ] - [ -0.0001988500000000, 0.0002833300000000, -0.0001522800000000 ] - [ -0.0021419600000000, -0.0005141200000000, 0.0027610500000000 ] - [ 0.0016451400000000, 0.0011812800000000, 0.0002242500000000 ] - [ -0.0000547700000000, -0.0004824600000000, 0.0000262900000000 ] - [ -0.0001465100000000, -0.0002042300000000, -0.0001483600000000 ] - [ 0.0002098300000000, -0.0001249300000000, 0.0000760100000000 ] - [ -0.0003132600000000, -0.0005414300000000, 0.0000484300000000 ] - [ 0.0007355000000000, -0.0007485800000000, 0.0022122300000000 ] - [ -0.0000505800000000, -0.0001967300000000, -0.0001968100000000 ] - [ -0.0002334900000000, 0.0002981900000000, -0.0009951500000000 ] - [ -0.0006793900000000, -0.0011954700000000, 0.0006816900000000 ] - [ 0.0005237400000000, 0.0006721800000000, 0.0001239700000000 ] - [ -0.0001852400000000, 0.0000031700000000, 0.0002964800000000 ] - [ 0.0004298600000000, 0.0002487800000000, -0.0011682100000000 ] - [ 0.0023689900000000, -0.0066503400000000, -0.0013621800000000 ] - [ -0.0024842400000000, 0.0045971800000000, 0.0009640800000000 ] - [ -0.0004294500000000, 0.0008001000000000, 0.0001157700000000 ] - [ -0.0019622800000000, 0.0021946500000000, 0.0018291200000000 ] - [ 0.0005367500000000, -0.0002131300000000, 0.0000275000000000 ] - [ -0.0001598400000000, 0.0001942800000000, -0.0037017600000000 ] - [ 0.0001648600000000, 0.0004697800000000, -0.0002163500000000 ] - [ -0.0041950000000000, -0.0004939800000000, 0.0001995900000000 ] - [ -0.0000890300000000, -0.0001069300000000, 0.0000633400000000 ] - [ -0.0006659600000000, -0.0003617200000000, 0.0016955300000000 ] - [ -0.0002671600000000, 0.0014646100000000, -0.0001399700000000 ] - [ 0.0364533500000000, -0.0263541300000000, 0.0224053800000000 ] - [ 0.0087929100000000, 0.0018559300000000, 0.0012448400000000 ] - [ 0.0012106000000000, -0.0011353100000000, -0.0028603200000000 ] - [ 0.0000637500000000, -0.0004777900000000, 0.0053225700000000 ] - [ -0.0002942700000000, -0.0005527100000000, 0.0000329900000000 ] - [ -0.0000145400000000, -0.0010563100000000, -0.0001028300000000 ] - [ 0.0000684200000000, -0.0001339900000000, -0.0003334800000000 ] - [ 0.0001137700000000, -0.0002821200000000, -0.0005583800000000 ] - [ -0.0000209600000000, 0.0001694900000000, 0.0005482100000000 ] - [ 0.0001933000000000, -0.0002618700000000, -0.0006556600000000 ] - [ 0.0001546600000000, 0.0010797000000000, 0.0004371300000000 ] - [ 0.0014389300000000, 0.0008863100000000, -0.0019182700000000 ] - [ -0.0005468900000000, -0.0002690600000000, 0.0012704900000000 ] - [ -0.0002441100000000, -0.0011306300000000, 0.0000747800000000 ] - [ -0.0013382600000000, 0.0001677800000000, -0.0000976300000000 ] - [ 0.0114523600000000, 0.0262388200000000, 0.0549130300000000 ] - [ 0.0035060300000000, 0.0018879800000000, -0.0002559000000000 ] - [ -0.0004183500000000, 0.0012183000000000, -0.0014525400000000 ] - [ -0.0001820200000000, -0.0002713400000000, -0.0002092200000000 ] - [ -0.0017902400000000, 0.0006268300000000, 0.0006100400000000 ] - [ 0.0003844900000000, 0.0002489700000000, 0.0013796900000000 ] - [ -0.0000537700000000, 0.0000658500000000, 0.0006563300000000 ] - [ -0.0003194000000000, -0.0004954200000000, -0.0014891200000000 ] - [ -0.0000290900000000, 0.0000632100000000, -0.0001220700000000 ] - [ 0.0000829300000000, 0.0004807600000000, -0.0001603900000000 ] - [ 0.0003085400000000, 0.0005453600000000, 0.0000662700000000 ] - [ 0.0054711700000000, 0.0069081100000000, 0.0028323100000000 ] - [ 0.0007522400000000, -0.0003309100000000, 0.0013921200000000 ] - [ -0.0001415700000000, -0.0013099400000000, -0.0035321800000000 ] - [ -0.0002805800000000, 0.0008095900000000, -0.0002985200000000 ] - [ -0.0002268600000000, -0.0000206500000000, 0.0000966900000000 ] - [ -0.0159043700000000, 0.0078895900000000, 0.0080029200000000 ] - [ 0.0003577800000000, 0.0000979800000000, 0.0001282600000000 ]- atom: 94 displacement: [ 0.0035230240541542, 0.0000000000000000, -0.0093588621911988 ] forces: - [ 0.0002120100000000, 0.0003723100000000, 0.0009219900000000 ] - [ -0.0001027700000000, 0.0002106900000000, -0.0002670500000000 ] - [ 0.0004004600000000, 0.0000264500000000, -0.0011709000000000 ] - [ 0.0018111600000000, -0.0019207600000000, -0.0052895200000000 ] - [ -0.0000227100000000, -0.0002260900000000, 0.0000788500000000 ] - [ -0.0001648000000000, -0.0008767700000000, -0.0003336900000000 ] - [ -0.0000967000000000, 0.0001976700000000, 0.0000567900000000 ] - [ 0.0010389900000000, 0.0001105400000000, 0.0014188600000000 ] - [ 0.0011273000000000, -0.0006502800000000, 0.0012113600000000 ] - [ -0.0000538800000000, 0.0001586300000000, 0.0004446400000000 ] - [ -0.0000373200000000, -0.0002457200000000, 0.0012540000000000 ] - [ 0.0005765400000000, 0.0031205600000000, -0.0006225000000000 ] - [ 0.0003579600000000, -0.0001677100000000, -0.0002193000000000 ] - [ -0.0003955300000000, 0.0004741200000000, -0.0004515800000000 ] - [ -0.0000103700000000, -0.0000976000000000, -0.0002150500000000 ] - [ -0.0003618500000000, -0.0003230800000000, 0.0003806500000000 ] - [ -0.0000459300000000, -0.0003955800000000, 0.0004651800000000 ] - [ -0.0005977900000000, 0.0012505400000000, 0.0010462400000000 ] - [ -0.0004498000000000, 0.0003688200000000, -0.0002401100000000 ] - [ -0.0013633900000000, -0.0002715500000000, 0.0013784300000000 ] - [ 0.0003245600000000, 0.0000543000000000, 0.0001731400000000 ] - [ 0.0000272400000000, 0.0001904000000000, -0.0003730900000000 ] - [ -0.0040794900000000, -0.0031772600000000, 0.0021929900000000 ] - [ -0.0017517600000000, -0.0001927500000000, -0.0030519500000000 ] - [ 0.0013921100000000, 0.0017418800000000, 0.0013975700000000 ] - [ -0.0011709700000000, 0.0017255100000000, 0.0012290300000000 ] - [ 0.0091174900000000, -0.0047996100000000, 0.0018277500000000 ] - [ -0.0007582300000000, -0.0012387400000000, 0.0002087800000000 ] - [ -0.0000047600000000, 0.0004872200000000, -0.0003945600000000 ] - [ -0.0008209600000000, -0.0003002000000000, 0.0033296300000000 ] - [ -0.0000639100000000, 0.0002150000000000, 0.0005587400000000 ] - [ 0.0000062100000000, 0.0001280900000000, 0.0002244000000000 ] - [ -0.0002790200000000, 0.0001084400000000, 0.0009383700000000 ] - [ -0.0001955400000000, 0.0004308100000000, -0.0004916300000000 ] - [ -0.0026226800000000, -0.0028883900000000, -0.0005239000000000 ] - [ 0.0019109800000000, -0.0026730600000000, -0.0013713000000000 ] - [ -0.0001215700000000, 0.0008565400000000, 0.0023662300000000 ] - [ 0.0000880100000000, -0.0003217600000000, 0.0005497400000000 ] - [ 0.0005612100000000, -0.0015576800000000, 0.0009963600000000 ] - [ 0.0002795900000000, 0.0003873600000000, -0.0005337800000000 ] - [ 0.0020501300000000, -0.0002743000000000, 0.0155761200000000 ] - [ 0.0020067300000000, -0.0016052100000000, -0.0012570000000000 ] - [ -0.0002880600000000, 0.0016561300000000, -0.0009967600000000 ] - [ -0.0000804400000000, -0.0006996300000000, -0.0015692300000000 ] - [ -0.0023090400000000, -0.0005978300000000, 0.0039314700000000 ] - [ 0.0024659900000000, 0.0004513300000000, -0.0191181300000000 ] - [ 0.0043006000000000, 0.0123576200000000, -0.0390177600000000 ] - [ 0.0010265300000000, 0.0029593700000000, -0.0001774300000000 ] - [ -0.0002287100000000, -0.0009814900000000, -0.0000025200000000 ] - [ -0.0000063100000000, 0.0006497300000000, 0.0001185400000000 ] - [ 0.0003144800000000, 0.0010098300000000, -0.0031418200000000 ] - [ 0.0002918100000000, 0.0002059500000000, 0.0019786800000000 ] - [ -0.0004975400000000, -0.0017171800000000, 0.0006433500000000 ] - [ -0.0002548300000000, 0.0010364200000000, 0.0000686900000000 ] - [ 0.0004192600000000, 0.0009597600000000, 0.0000460300000000 ] - [ 0.0003684100000000, -0.0009185000000000, -0.0015520400000000 ] - [ 0.0001482600000000, 0.0008118300000000, -0.0001774400000000 ] - [ 0.0001232000000000, -0.0007325600000000, 0.0000752900000000 ] - [ 0.0002919800000000, -0.0008156900000000, -0.0001087900000000 ] - [ -0.0026322300000000, 0.0003249100000000, 0.0012134900000000 ] - [ -0.0003773500000000, 0.0018832200000000, 0.0085570300000000 ] - [ 0.0001652400000000, 0.0001602900000000, -0.0002099500000000 ] - [ 0.0009109400000000, -0.0052186700000000, -0.0003284600000000 ] - [ -0.0091683600000000, 0.0030107300000000, 0.0012464700000000 ] - [ 0.0001025800000000, 0.0006452000000000, -0.0021784400000000 ] - [ -0.0189172800000000, -0.0039741600000000, -0.1628045200000000 ] - [ -0.0000281200000000, -0.0005163500000000, -0.0011213300000000 ] - [ -0.0000294400000000, -0.0016972000000000, 0.0029178300000000 ] - [ -0.0002420300000000, 0.0002131800000000, -0.0002766700000000 ] - [ 0.0000500700000000, -0.0007053900000000, 0.0015216300000000 ] - [ -0.0012265300000000, -0.0003854800000000, -0.0007320500000000 ] - [ 0.0000793900000000, 0.0000742200000000, 0.0000591300000000 ] - [ 0.0000065700000000, -0.0005510800000000, 0.0012371500000000 ] - [ -0.0001877600000000, 0.0001452800000000, 0.0008413500000000 ] - [ 0.0007063100000000, 0.0000528900000000, 0.0011304900000000 ] - [ -0.0000601100000000, -0.0001855500000000, 0.0005026700000000 ] - [ 0.0000924700000000, -0.0003233600000000, -0.0001021600000000 ] - [ 0.0000838600000000, -0.0005335600000000, -0.0000967600000000 ] - [ 0.0050294800000000, 0.0022875300000000, -0.0002436800000000 ] - [ 0.0027316800000000, 0.0018798900000000, 0.0002572100000000 ] - [ 0.0003715300000000, 0.0005698300000000, -0.0001115400000000 ] - [ -0.0000792500000000, -0.0000599900000000, -0.0012927400000000 ] - [ -0.0002180100000000, 0.0002695300000000, -0.0003304700000000 ] - [ -0.0001305300000000, 0.0006901000000000, -0.0002456200000000 ] - [ -0.0027144100000000, -0.0009923700000000, -0.0016529500000000 ] - [ -0.0002839100000000, 0.0005579600000000, -0.0010400500000000 ] - [ 0.0003621400000000, -0.0001008500000000, -0.0004546800000000 ] - [ -0.0005508200000000, -0.0002476700000000, 0.0008149200000000 ] - [ -0.0001565900000000, -0.0001469400000000, -0.0002453300000000 ] - [ 0.0001154500000000, -0.0009379100000000, 0.0002382400000000 ] - [ 0.0001677300000000, 0.0001725400000000, -0.0010081500000000 ] - [ -0.0001268800000000, 0.0009268400000000, 0.0000792600000000 ] - [ -0.0002913500000000, -0.0002749200000000, 0.0019565200000000 ] - [ 0.0495723500000000, 0.0050638200000000, 0.3174068300000000 ] - [ 0.0004515000000000, 0.0019676500000000, -0.0020243100000000 ] - [ -0.0000260600000000, 0.0001825500000000, -0.0002900000000000 ] - [ -0.0024813700000000, -0.0016888600000000, -0.0013874000000000 ] - [ 0.0000645100000000, -0.0010604200000000, -0.0000090300000000 ] - [ -0.0000685200000000, 0.0003751700000000, 0.0008709600000000 ] - [ -0.0007455400000000, 0.0021250000000000, -0.0012524900000000 ] - [ 0.0019043100000000, -0.0030590200000000, -0.0198890800000000 ] - [ -0.0004089300000000, 0.0012909000000000, 0.0007267900000000 ] - [ 0.0003714700000000, -0.0000899500000000, -0.0012212900000000 ] - [ -0.0000747200000000, -0.0009749800000000, -0.0000508200000000 ] - [ 0.0031442500000000, 0.0070085600000000, -0.0007520600000000 ] - [ 0.0024725900000000, -0.0015680400000000, -0.0041133200000000 ] - [ 0.0002347200000000, -0.0000588000000000, 0.0013962200000000 ] - [ -0.0002357700000000, -0.0003404100000000, -0.0013935000000000 ] - [ 0.0002884900000000, -0.0005111500000000, -0.0011043100000000 ] - [ -0.0003418800000000, 0.0010042900000000, 0.0015400000000000 ] - [ -0.0001749500000000, -0.0001633300000000, -0.0000673000000000 ] - [ 0.0004164600000000, -0.0000352700000000, 0.0005140000000000 ] - [ 0.0006250900000000, 0.0013432300000000, -0.0016473200000000 ] - [ 0.0003096900000000, 0.0008381200000000, 0.0001257700000000 ] - [ -0.0014336100000000, -0.0001248600000000, -0.0044376800000000 ] - [ 0.0000224800000000, -0.0000537700000000, 0.0001541700000000 ] - [ 0.0000641000000000, -0.0000534400000000, -0.0010719200000000 ] - [ 0.0004751500000000, 0.0040128600000000, 0.0006376800000000 ] - [ -0.0000989400000000, -0.0010244200000000, -0.0000909800000000 ] - [ 0.0024602800000000, 0.0004096000000000, -0.0024323200000000 ] - [ -0.0021699700000000, -0.0003985700000000, -0.0002896400000000 ] - [ -0.0002363200000000, 0.0002652400000000, 0.0003088200000000 ] - [ -0.0001706000000000, 0.0001078100000000, -0.0001851500000000 ] - [ -0.0000082600000000, 0.0004567800000000, 0.0000438400000000 ] - [ -0.0000901100000000, -0.0003312200000000, -0.0000989200000000 ] - [ -0.0009865300000000, 0.0006100400000000, -0.0025060600000000 ] - [ -0.0000292600000000, 0.0001240500000000, -0.0004674800000000 ] - [ -0.0000143600000000, -0.0001601600000000, 0.0007021000000000 ] - [ 0.0016360600000000, 0.0013474900000000, -0.0005628200000000 ] - [ 0.0004150200000000, -0.0001031200000000, -0.0002525200000000 ] - [ -0.0002827400000000, -0.0000733400000000, -0.0004894400000000 ] - [ -0.0006952000000000, -0.0003609800000000, 0.0013746200000000 ] - [ -0.0025920900000000, 0.0063546700000000, 0.0012982800000000 ] - [ 0.0026471700000000, -0.0034375800000000, -0.0013017500000000 ] - [ -0.0005216400000000, -0.0006460100000000, -0.0002435300000000 ] - [ 0.0022135100000000, -0.0011224500000000, -0.0021800800000000 ] - [ 0.0004126500000000, 0.0000649700000000, 0.0000993500000000 ] - [ 0.0005443800000000, -0.0002731500000000, 0.0033343500000000 ] - [ 0.0000610300000000, 0.0006423800000000, -0.0001497900000000 ] - [ 0.0032642400000000, 0.0003431300000000, -0.0003222700000000 ] - [ -0.0001649200000000, -0.0009637800000000, 0.0002885500000000 ] - [ 0.0001224300000000, 0.0002738200000000, -0.0019058700000000 ] - [ 0.0001866600000000, -0.0013396700000000, -0.0004775400000000 ] - [ -0.0367539400000000, 0.0265554500000000, -0.0221376800000000 ] - [ -0.0090942800000000, -0.0007732900000000, -0.0008354600000000 ] - [ -0.0007167900000000, 0.0012649600000000, 0.0026030000000000 ] - [ -0.0002968300000000, 0.0003296800000000, -0.0048936900000000 ] - [ -0.0006444100000000, -0.0000100500000000, 0.0000958700000000 ] - [ -0.0005085000000000, 0.0002715700000000, 0.0000449700000000 ] - [ 0.0001784100000000, 0.0000007700000000, 0.0006260100000000 ] - [ 0.0001178500000000, 0.0001372000000000, 0.0001257700000000 ] - [ 0.0002525700000000, -0.0000226200000000, -0.0009776700000000 ] - [ 0.0002897900000000, -0.0002388200000000, -0.0001840800000000 ] - [ 0.0002503800000000, -0.0002021800000000, -0.0003872300000000 ] - [ -0.0019109300000000, -0.0009791100000000, 0.0021660700000000 ] - [ 0.0002549600000000, 0.0004847600000000, -0.0009435800000000 ] - [ 0.0005396800000000, 0.0003779200000000, 0.0001725100000000 ] - [ 0.0018099400000000, -0.0002413500000000, 0.0002779700000000 ] - [ -0.0108139900000000, -0.0263054800000000, -0.0548773400000000 ] - [ -0.0032257500000000, -0.0021239100000000, -0.0000760200000000 ] - [ 0.0005516400000000, -0.0012394200000000, 0.0005970200000000 ] - [ 0.0000318800000000, 0.0014681000000000, 0.0005461100000000 ] - [ 0.0015915100000000, -0.0002993100000000, -0.0007356600000000 ] - [ -0.0000028700000000, -0.0001696100000000, -0.0017654600000000 ] - [ -0.0004082700000000, 0.0000224700000000, -0.0004120100000000 ] - [ 0.0000869000000000, 0.0006431300000000, 0.0019302000000000 ] - [ -0.0001044000000000, -0.0000428900000000, 0.0009756000000000 ] - [ 0.0002068700000000, -0.0002564100000000, -0.0001748600000000 ] - [ -0.0001066100000000, -0.0008745300000000, 0.0000559700000000 ] - [ -0.0045663900000000, -0.0075524100000000, -0.0029434800000000 ] - [ -0.0016952100000000, 0.0008941600000000, -0.0012706900000000 ] - [ 0.0006702100000000, 0.0011308500000000, 0.0030653800000000 ] - [ -0.0000363100000000, -0.0007137900000000, -0.0000311700000000 ] - [ -0.0003502600000000, -0.0000059900000000, -0.0006863400000000 ] - [ 0.0165077100000000, -0.0088867200000000, -0.0080303300000000 ] - [ 0.0002101400000000, 0.0001019600000000, -0.0005909300000000 ]- atom: 95 displacement: [ 0.0099999639143206, 0.0000000000000000, -0.0000268647033593 ] forces: - [ 0.0003031600000000, -0.0002472100000000, 0.0000833200000000 ] - [ -0.0000564500000000, 0.0003239900000000, 0.0000674900000000 ] - [ 0.0000448900000000, -0.0000007400000000, 0.0001460700000000 ] - [ 0.0000804500000000, -0.0002719400000000, -0.0000179200000000 ] - [ -0.0000616100000000, -0.0001773900000000, -0.0002305700000000 ] - [ 0.0013667400000000, 0.0001793800000000, -0.0000711900000000 ] - [ -0.0000856700000000, -0.0000781200000000, 0.0000132100000000 ] - [ 0.0031254600000000, -0.0005472500000000, 0.0003499000000000 ] - [ -0.0001774500000000, -0.0003074900000000, -0.0003587800000000 ] - [ -0.0006926100000000, -0.0001222100000000, 0.0000934200000000 ] - [ -0.0002250500000000, 0.0004993900000000, 0.0001917500000000 ] - [ 0.0002778200000000, -0.0002868100000000, 0.0000321000000000 ] - [ 0.0004112500000000, -0.0001729700000000, 0.0001330900000000 ] - [ -0.0001856400000000, 0.0000064700000000, -0.0000493500000000 ] - [ -0.0000117800000000, -0.0001300000000000, -0.0000177300000000 ] - [ -0.0003430900000000, 0.0000007800000000, 0.0000993400000000 ] - [ 0.0014094100000000, 0.0001726900000000, -0.0003132100000000 ] - [ -0.0010211800000000, -0.0003147500000000, 0.0003526900000000 ] - [ -0.0004154700000000, 0.0001512900000000, -0.0001603100000000 ] - [ 0.0001701200000000, 0.0006259400000000, 0.0004729500000000 ] - [ 0.0003127800000000, 0.0000128100000000, -0.0001196900000000 ] - [ -0.0005078900000000, 0.0004148900000000, -0.0001516200000000 ] - [ -0.0010180000000000, 0.0000976800000000, -0.0024388500000000 ] - [ 0.0001027900000000, -0.0000233100000000, 0.0004331300000000 ] - [ -0.0001063500000000, -0.0010698000000000, 0.0002579500000000 ] - [ 0.0001062000000000, 0.0006987300000000, -0.0001126400000000 ] - [ -0.0058337700000000, -0.0019254800000000, 0.0074278400000000 ] - [ -0.0054805300000000, -0.0033664500000000, -0.0021713300000000 ] - [ 0.0000098700000000, 0.0002248400000000, -0.0000934200000000 ] - [ -0.0045859700000000, 0.0005365800000000, -0.0016290000000000 ] - [ -0.0007799200000000, 0.0002561900000000, 0.0002361000000000 ] - [ 0.0012946800000000, 0.0001967000000000, -0.0002423700000000 ] - [ -0.0000694600000000, 0.0004744800000000, 0.0003479500000000 ] - [ -0.0003136200000000, 0.0001582900000000, -0.0003763000000000 ] - [ 0.0000088900000000, -0.0001449900000000, 0.0002058700000000 ] - [ 0.0000703600000000, -0.0001570300000000, -0.0004759600000000 ] - [ 0.0026296200000000, -0.0000475200000000, 0.0007991000000000 ] - [ 0.0002287500000000, -0.0006268300000000, -0.0002529200000000 ] - [ -0.0069980400000000, 0.0036141300000000, -0.0009607600000000 ] - [ 0.0002283600000000, -0.0000156300000000, 0.0000465200000000 ] - [ 0.0123688500000000, -0.0026731300000000, -0.0002569000000000 ] - [ 0.0004108900000000, 0.0002373000000000, 0.0006450600000000 ] - [ 0.0001640300000000, -0.0003024500000000, 0.0016459900000000 ] - [ -0.0001339000000000, 0.0001025600000000, 0.0001317600000000 ] - [ 0.0132537600000000, 0.0058008600000000, -0.0003913900000000 ] - [ 0.0011509500000000, 0.0008862500000000, 0.0005843700000000 ] - [ -0.0001454700000000, 0.0002001000000000, 0.0009659700000000 ] - [ 0.0000036900000000, -0.0000544500000000, -0.0003367500000000 ] - [ -0.0000972600000000, -0.0002423700000000, -0.0000520200000000 ] - [ -0.0001362100000000, 0.0002493400000000, 0.0000734000000000 ] - [ -0.0014565300000000, -0.0007791700000000, -0.0007127900000000 ] - [ -0.0003065800000000, 0.0001366300000000, -0.0013811900000000 ] - [ 0.0527494500000000, -0.0074254600000000, -0.0052585200000000 ] - [ 0.0001237000000000, 0.0002982900000000, 0.0000542100000000 ] - [ 0.0000931800000000, -0.0001696400000000, 0.0000506800000000 ] - [ 0.0002341900000000, -0.0004350400000000, -0.0001209000000000 ] - [ 0.0002001000000000, 0.0002124300000000, -0.0000833600000000 ] - [ 0.0002049300000000, -0.0003539600000000, -0.0000833600000000 ] - [ -0.0043853000000000, -0.0002552000000000, -0.0003368000000000 ] - [ 0.0015023800000000, 0.0063486900000000, -0.0001897400000000 ] - [ -0.0038145000000000, 0.0018288100000000, 0.0005062100000000 ] - [ 0.0000109100000000, 0.0000295000000000, 0.0002753200000000 ] - [ -0.0000486700000000, 0.0003467000000000, 0.0001298600000000 ] - [ -0.0003662300000000, -0.0000595600000000, 0.0005339400000000 ] - [ -0.0001353100000000, -0.0000324900000000, -0.0004593700000000 ] - [ 0.0014385000000000, -0.0015284200000000, 0.0001849900000000 ] - [ 0.0001236600000000, 0.0007351100000000, 0.0019557900000000 ] - [ 0.0040669100000000, 0.0030448600000000, -0.0020106600000000 ] - [ -0.0000988400000000, 0.0003983400000000, 0.0003029200000000 ] - [ 0.0002279800000000, 0.0002226300000000, 0.0000247600000000 ] - [ -0.0000316600000000, 0.0003392300000000, -0.0008825900000000 ] - [ -0.0001400300000000, -0.0005400600000000, 0.0000995600000000 ] - [ -0.0000144300000000, -0.0018534200000000, 0.0027120800000000 ] - [ -0.0003881800000000, 0.0000485200000000, 0.0003112400000000 ] - [ 0.0002299500000000, -0.0001092200000000, -0.0005670500000000 ] - [ -0.0000664900000000, -0.0000701900000000, 0.0000743600000000 ] - [ -0.0000442000000000, -0.0001940700000000, -0.0000852700000000 ] - [ -0.0004052700000000, 0.0005133500000000, -0.0000404900000000 ] - [ 0.0000153500000000, -0.0002415000000000, -0.0000240000000000 ] - [ -0.0011165400000000, -0.0052658200000000, -0.0012023700000000 ] - [ 0.0006836200000000, 0.0012288300000000, 0.0000618200000000 ] - [ 0.0004352700000000, -0.0008932100000000, 0.0021821700000000 ] - [ -0.0003957100000000, -0.0001592100000000, 0.0001620900000000 ] - [ -0.0002734400000000, 0.0021215700000000, -0.0000934100000000 ] - [ 0.0051461200000000, 0.0088622500000000, -0.0032442400000000 ] - [ 0.0003225600000000, 0.0000376100000000, 0.0002024300000000 ] - [ 0.0003717300000000, -0.0000428400000000, -0.0001552000000000 ] - [ -0.0003650000000000, 0.0000747500000000, -0.0001654500000000 ] - [ -0.0001032400000000, -0.0000071900000000, 0.0001632600000000 ] - [ 0.0002856900000000, -0.0004562600000000, 0.0001113000000000 ] - [ 0.0009728400000000, 0.0034975300000000, -0.0010684400000000 ] - [ -0.0002322800000000, -0.0011765900000000, 0.0002309600000000 ] - [ -0.0001937200000000, 0.0002659400000000, 0.0004803100000000 ] - [ -0.0002105800000000, 0.0003830700000000, -0.0004597300000000 ] - [ -0.1052111800000000, 0.0055510500000000, 0.0229283500000000 ] - [ 0.0033840000000000, -0.0003331800000000, -0.0001073600000000 ] - [ -0.0009698000000000, 0.0019981800000000, 0.0004720700000000 ] - [ -0.0000742000000000, -0.0005638700000000, -0.0001364000000000 ] - [ 0.0000393900000000, 0.0002498200000000, 0.0020213500000000 ] - [ 0.0153083800000000, -0.0375370200000000, -0.0203552200000000 ] - [ 0.0009444900000000, -0.0005423200000000, -0.0015410700000000 ] - [ 0.0012404400000000, -0.0005530000000000, -0.0024512900000000 ] - [ 0.0002576900000000, -0.0001456400000000, 0.0001623600000000 ] - [ 0.0002986400000000, -0.0006486000000000, 0.0002347400000000 ] - [ 0.0001342900000000, -0.0005936700000000, -0.0003238600000000 ] - [ 0.0059149100000000, -0.0043329500000000, -0.0021557000000000 ] - [ -0.0000653600000000, -0.0000522300000000, 0.0005193900000000 ] - [ 0.0008598800000000, 0.0001690300000000, 0.0003725100000000 ] - [ -0.0005205000000000, -0.0005014100000000, 0.0012370300000000 ] - [ -0.0001115300000000, -0.0003637500000000, -0.0008658900000000 ] - [ -0.0003724400000000, -0.0002979200000000, 0.0003733100000000 ] - [ 0.0002156700000000, -0.0000465000000000, 0.0000539200000000 ] - [ 0.0001351800000000, 0.0001358600000000, -0.0004102900000000 ] - [ 0.0000069000000000, 0.0000672700000000, 0.0003186000000000 ] - [ 0.0028127400000000, -0.0002100200000000, 0.0010250000000000 ] - [ 0.0002491100000000, 0.0000447300000000, -0.0001394300000000 ] - [ -0.0013926300000000, 0.0016954400000000, -0.0025136400000000 ] - [ 0.0001650800000000, 0.0000353900000000, 0.0001409900000000 ] - [ -0.0000636300000000, -0.0003875600000000, -0.0003032100000000 ] - [ 0.0070661100000000, -0.0139485400000000, 0.0019047200000000 ] - [ 0.0018481200000000, 0.0020500300000000, 0.0004830400000000 ] - [ -0.0001316800000000, -0.0001212500000000, 0.0001545400000000 ] - [ -0.0002026200000000, -0.0007808800000000, -0.0001774200000000 ] - [ 0.0006703300000000, -0.0008170500000000, -0.0000594800000000 ] - [ -0.0002091000000000, -0.0004166900000000, -0.0000696400000000 ] - [ -0.0016503900000000, -0.0004267900000000, -0.0001542000000000 ] - [ -0.0002090000000000, 0.0006355000000000, -0.0003760800000000 ] - [ -0.0001026100000000, 0.0001936300000000, -0.0002773400000000 ] - [ 0.0041045100000000, 0.0405318700000000, 0.0110916300000000 ] - [ 0.0006536800000000, 0.0002625200000000, -0.0000282300000000 ] - [ -0.0000716600000000, -0.0000344900000000, -0.0000043400000000 ] - [ -0.0001762300000000, -0.0000665200000000, 0.0001467800000000 ] - [ -0.0000790700000000, -0.0001905600000000, -0.0000901900000000 ] - [ 0.0000990400000000, 0.0004917500000000, -0.0007993200000000 ] - [ -0.0007088100000000, 0.0002834100000000, -0.0000508100000000 ] - [ -0.0024487900000000, -0.0005419900000000, 0.0002268700000000 ] - [ 0.0004760800000000, -0.0000569300000000, 0.0000100400000000 ] - [ 0.0005737700000000, 0.0001960200000000, -0.0003907700000000 ] - [ 0.0001156100000000, 0.0005577400000000, -0.0001767000000000 ] - [ -0.0005902800000000, -0.0002196700000000, -0.0003998300000000 ] - [ -0.0002621800000000, -0.0004819100000000, -0.0000008300000000 ] - [ -0.0039079700000000, -0.0030507800000000, -0.0045510800000000 ] - [ -0.0000120100000000, -0.0000921400000000, -0.0006299000000000 ] - [ -0.0020256600000000, 0.0009488200000000, -0.0018519400000000 ] - [ -0.0000606300000000, 0.0006012500000000, 0.0001338700000000 ] - [ -0.0005467400000000, -0.0001089100000000, 0.0004558100000000 ] - [ -0.0023629900000000, 0.0008945600000000, 0.0028064600000000 ] - [ -0.0004829200000000, -0.0002904900000000, 0.0000627700000000 ] - [ -0.0002672200000000, -0.0003838200000000, 0.0000004000000000 ] - [ 0.0000701500000000, -0.0000607300000000, 0.0000794300000000 ] - [ -0.0000534800000000, -0.0001757600000000, -0.0001686300000000 ] - [ 0.0003916300000000, 0.0010569700000000, -0.0020418300000000 ] - [ 0.0003967400000000, -0.0002221000000000, -0.0003478400000000 ] - [ -0.0001002700000000, 0.0003167600000000, 0.0000638800000000 ] - [ 0.0019321800000000, 0.0009598800000000, -0.0008574300000000 ] - [ 0.0043995200000000, 0.0009831500000000, 0.0016949900000000 ] - [ 0.0000545000000000, -0.0004217700000000, 0.0000433700000000 ] - [ 0.0014074800000000, -0.0000616000000000, 0.0010856700000000 ] - [ -0.0010276800000000, -0.0000019100000000, -0.0000402800000000 ] - [ 0.0000083900000000, -0.0000650700000000, -0.0001417500000000 ] - [ 0.0000406700000000, -0.0001012500000000, -0.0001401100000000 ] - [ -0.0000765900000000, 0.0006017500000000, 0.0001207600000000 ] - [ 0.0013924500000000, -0.0026961900000000, 0.0000937100000000 ] - [ 0.0002650300000000, 0.0001673000000000, 0.0000801900000000 ] - [ -0.0003066300000000, 0.0001162500000000, 0.0002031100000000 ] - [ -0.0001223000000000, 0.0001343700000000, 0.0000672400000000 ] - [ -0.0000116800000000, 0.0000044600000000, 0.0003824300000000 ] - [ 0.0003202900000000, 0.0000972600000000, -0.0001412100000000 ] - [ -0.0000328400000000, -0.0001826900000000, 0.0001526700000000 ] - [ 0.0004780800000000, -0.0002482800000000, -0.0001348500000000 ] - [ 0.0036917400000000, -0.0000398800000000, 0.0000138700000000 ] - [ -0.0000618300000000, -0.0001621400000000, -0.0014496400000000 ] - [ -0.0004167200000000, 0.0002272700000000, -0.0003731400000000 ] - [ -0.0003283200000000, -0.0000339400000000, -0.0002928400000000 ] - [ 0.0003438500000000, -0.0004496100000000, -0.0003635700000000 ] - [ 0.0001637400000000, 0.0000612800000000, -0.0002740100000000 ]- atom: 95 displacement: [ -0.0099999639143206, 0.0000000000000000, 0.0000268647033593 ] forces: - [ -0.0001129600000000, 0.0000325100000000, 0.0001020300000000 ] - [ -0.0000708600000000, 0.0001142700000000, -0.0001245900000000 ] - [ 0.0005731800000000, -0.0000073300000000, -0.0002944100000000 ] - [ 0.0000101800000000, -0.0003921600000000, 0.0002971600000000 ] - [ -0.0000301200000000, -0.0004868900000000, -0.0000482800000000 ] - [ -0.0015553300000000, -0.0004077400000000, -0.0001260100000000 ] - [ -0.0001035300000000, 0.0002924900000000, -0.0001979700000000 ] - [ -0.0019831400000000, 0.0008891600000000, 0.0000293300000000 ] - [ 0.0002387100000000, 0.0001999600000000, 0.0002427900000000 ] - [ 0.0006359300000000, 0.0002287800000000, 0.0000215500000000 ] - [ 0.0003170400000000, 0.0001608000000000, 0.0000872800000000 ] - [ -0.0001496200000000, -0.0001526200000000, 0.0000249300000000 ] - [ 0.0004562200000000, -0.0001636200000000, 0.0000840000000000 ] - [ 0.0002446200000000, 0.0000964400000000, -0.0000632800000000 ] - [ -0.0000471500000000, 0.0000242900000000, 0.0001296700000000 ] - [ -0.0002742800000000, -0.0000116400000000, 0.0000461000000000 ] - [ -0.0015344800000000, -0.0006217800000000, 0.0002704900000000 ] - [ 0.0001571900000000, -0.0000158100000000, -0.0005782900000000 ] - [ -0.0004519000000000, 0.0001830100000000, -0.0000576700000000 ] - [ -0.0000436600000000, -0.0001920800000000, -0.0004221200000000 ] - [ 0.0003049300000000, -0.0000044900000000, -0.0000256700000000 ] - [ 0.0004156400000000, 0.0002485900000000, -0.0001285700000000 ] - [ 0.0003823700000000, -0.0000769000000000, 0.0025873100000000 ] - [ 0.0000883900000000, 0.0002386200000000, -0.0002503100000000 ] - [ 0.0006333500000000, 0.0007430400000000, 0.0006637500000000 ] - [ -0.0000412900000000, -0.0011762400000000, 0.0004029500000000 ] - [ 0.0055004300000000, 0.0009368400000000, -0.0067700000000000 ] - [ 0.0048901100000000, 0.0030219300000000, 0.0012754500000000 ] - [ -0.0000789800000000, 0.0002485300000000, -0.0001965900000000 ] - [ 0.0047782200000000, -0.0002246300000000, 0.0007836800000000 ] - [ 0.0005936200000000, 0.0000516300000000, 0.0006366900000000 ] - [ -0.0011761700000000, 0.0001693200000000, 0.0003302400000000 ] - [ -0.0003026000000000, 0.0005478700000000, 0.0003157900000000 ] - [ -0.0002101400000000, 0.0001607600000000, -0.0005444300000000 ] - [ -0.0001255500000000, -0.0002322200000000, -0.0002958500000000 ] - [ 0.0001154400000000, -0.0001595600000000, -0.0003970700000000 ] - [ -0.0022415500000000, 0.0002404300000000, -0.0008975900000000 ] - [ 0.0001420400000000, -0.0004031300000000, -0.0004080700000000 ] - [ 0.0069694900000000, -0.0041111400000000, 0.0006818800000000 ] - [ 0.0001700600000000, -0.0001719700000000, -0.0001327000000000 ] - [ -0.0125677400000000, 0.0029074900000000, 0.0002383100000000 ] - [ 0.0001119200000000, 0.0000805700000000, 0.0002668300000000 ] - [ -0.0000461000000000, -0.0000675900000000, -0.0015708500000000 ] - [ -0.0002645500000000, 0.0000781900000000, -0.0000470800000000 ] - [ -0.0148798600000000, -0.0062432500000000, 0.0011516800000000 ] - [ -0.0007798800000000, 0.0001374600000000, -0.0012675500000000 ] - [ 0.0002159300000000, 0.0002741100000000, -0.0006974400000000 ] - [ -0.0001907300000000, -0.0002559000000000, 0.0011999800000000 ] - [ -0.0002189700000000, -0.0002365800000000, -0.0000018200000000 ] - [ 0.0002069700000000, 0.0001423200000000, 0.0000954800000000 ] - [ 0.0019175000000000, 0.0008542200000000, 0.0000214400000000 ] - [ 0.0005980400000000, -0.0002626400000000, 0.0019332500000000 ] - [ -0.0526658700000000, 0.0091045500000000, 0.0055504400000000 ] - [ -0.0005431600000000, 0.0003608000000000, 0.0001857800000000 ] - [ 0.0002241000000000, -0.0003072100000000, 0.0000023900000000 ] - [ 0.0000676100000000, -0.0003467000000000, -0.0003346700000000 ] - [ -0.0001682400000000, 0.0004029200000000, -0.0001337700000000 ] - [ 0.0002154700000000, -0.0003098000000000, -0.0001552800000000 ] - [ 0.0043308600000000, 0.0006665200000000, 0.0001689200000000 ] - [ -0.0015511300000000, -0.0069926000000000, 0.0004120700000000 ] - [ 0.0035438900000000, -0.0017081900000000, -0.0010724800000000 ] - [ 0.0002816700000000, 0.0001023200000000, 0.0002674100000000 ] - [ 0.0000162900000000, 0.0002638300000000, 0.0000861700000000 ] - [ -0.0000499800000000, -0.0006037900000000, -0.0002996200000000 ] - [ -0.0001581300000000, -0.0001001800000000, -0.0000852200000000 ] - [ -0.0012012200000000, 0.0012902000000000, -0.0003356500000000 ] - [ -0.0003772300000000, -0.0004789400000000, -0.0018232600000000 ] - [ -0.0037922100000000, -0.0022875900000000, 0.0015604800000000 ] - [ -0.0002004400000000, 0.0003792400000000, 0.0001491800000000 ] - [ 0.0000242500000000, 0.0000340400000000, -0.0001654100000000 ] - [ -0.0004217300000000, -0.0004065000000000, 0.0015650100000000 ] - [ 0.0004518800000000, 0.0010100500000000, -0.0000439400000000 ] - [ -0.0002851200000000, 0.0010860300000000, -0.0022715800000000 ] - [ -0.0000612800000000, 0.0000198300000000, 0.0003828400000000 ] - [ 0.0002228800000000, 0.0000375400000000, -0.0001288800000000 ] - [ -0.0001877500000000, -0.0001919300000000, 0.0000692800000000 ] - [ -0.0000264000000000, -0.0002036400000000, -0.0000835800000000 ] - [ 0.0004410300000000, -0.0011319200000000, -0.0001761000000000 ] - [ 0.0000540300000000, -0.0001520300000000, 0.0001909700000000 ] - [ 0.0008104100000000, 0.0057365200000000, 0.0011399300000000 ] - [ -0.0002053400000000, -0.0004210000000000, 0.0000006400000000 ] - [ -0.0005710000000000, 0.0008708100000000, -0.0013656100000000 ] - [ -0.0001557700000000, -0.0000097500000000, 0.0003111900000000 ] - [ 0.0000045700000000, -0.0013339300000000, -0.0001507600000000 ] - [ -0.0050209300000000, -0.0089043900000000, 0.0038576500000000 ] - [ 0.0001638000000000, 0.0000357700000000, 0.0000136800000000 ] - [ 0.0001163100000000, -0.0000636200000000, -0.0000984600000000 ] - [ -0.0001955700000000, 0.0000121900000000, -0.0000417000000000 ] - [ -0.0002893100000000, -0.0000626000000000, 0.0002498900000000 ] - [ 0.0001886000000000, -0.0003455200000000, -0.0000442700000000 ] - [ -0.0007391000000000, -0.0034143500000000, 0.0013337100000000 ] - [ -0.0000483400000000, 0.0022699900000000, 0.0001162200000000 ] - [ -0.0002883200000000, 0.0002459300000000, 0.0003547900000000 ] - [ 0.0007874500000000, -0.0004162000000000, 0.0010471400000000 ] - [ 0.1062378500000000, -0.0070729000000000, -0.0237825900000000 ] - [ -0.0031667600000000, -0.0008065000000000, -0.0002638500000000 ] - [ 0.0012343000000000, -0.0012180100000000, -0.0002210900000000 ] - [ 0.0002260800000000, -0.0006115400000000, -0.0002017100000000 ] - [ -0.0004224100000000, -0.0001772500000000, -0.0015964500000000 ] - [ -0.0157675700000000, 0.0380913900000000, 0.0201345600000000 ] - [ -0.0008205800000000, 0.0005679300000000, 0.0007332900000000 ] - [ -0.0018177100000000, 0.0005832000000000, 0.0018889800000000 ] - [ 0.0003130800000000, 0.0001751800000000, 0.0004084300000000 ] - [ -0.0005174300000000, -0.0004743400000000, 0.0001330500000000 ] - [ 0.0001403600000000, -0.0004890200000000, -0.0000210200000000 ] - [ -0.0062170800000000, 0.0044838500000000, 0.0023703400000000 ] - [ -0.0004166900000000, 0.0001233800000000, -0.0007249100000000 ] - [ -0.0003792900000000, 0.0003393400000000, -0.0012092300000000 ] - [ 0.0007607900000000, 0.0004046300000000, -0.0014323100000000 ] - [ -0.0002210300000000, 0.0009083500000000, 0.0014593700000000 ] - [ 0.0000393800000000, -0.0002418000000000, 0.0002103500000000 ] - [ 0.0003487600000000, -0.0000395700000000, 0.0001544100000000 ] - [ 0.0001974400000000, 0.0004069500000000, -0.0001735000000000 ] - [ 0.0000615000000000, 0.0000580100000000, 0.0003441400000000 ] - [ -0.0033033800000000, -0.0002895500000000, -0.0001938900000000 ] - [ -0.0000115900000000, 0.0000452900000000, -0.0000534400000000 ] - [ 0.0019784400000000, -0.0016335100000000, 0.0027350000000000 ] - [ 0.0001597800000000, 0.0001039900000000, 0.0001922300000000 ] - [ -0.0002096300000000, -0.0003890000000000, 0.0000620400000000 ] - [ -0.0068166000000000, 0.0139801700000000, -0.0016006400000000 ] - [ -0.0023190400000000, -0.0012382900000000, -0.0005481000000000 ] - [ -0.0001438200000000, -0.0001173500000000, 0.0001765800000000 ] - [ -0.0001231100000000, 0.0006460200000000, -0.0001549900000000 ] - [ -0.0004536000000000, 0.0011544800000000, 0.0001764700000000 ] - [ -0.0001779800000000, -0.0004494300000000, 0.0000109500000000 ] - [ 0.0014272000000000, 0.0002957500000000, -0.0001223700000000 ] - [ 0.0001399600000000, -0.0007498900000000, -0.0002880500000000 ] - [ -0.0001280300000000, -0.0000545700000000, -0.0000061400000000 ] - [ -0.0028931800000000, -0.0405431600000000, -0.0110298000000000 ] - [ 0.0003127200000000, 0.0003275100000000, -0.0001041100000000 ] - [ -0.0004153000000000, -0.0000369400000000, -0.0002134700000000 ] - [ -0.0000595600000000, -0.0000209800000000, 0.0000462200000000 ] - [ -0.0001376200000000, -0.0001393400000000, -0.0000250200000000 ] - [ 0.0000520900000000, 0.0006844700000000, 0.0004670200000000 ] - [ -0.0002351200000000, -0.0001380400000000, -0.0000730000000000 ] - [ 0.0027601400000000, 0.0016244300000000, -0.0005842400000000 ] - [ 0.0004680600000000, -0.0000867300000000, 0.0001132100000000 ] - [ -0.0001824700000000, -0.0002649500000000, -0.0000224600000000 ] - [ 0.0001037700000000, 0.0005717900000000, -0.0001911600000000 ] - [ -0.0003506400000000, 0.0000782400000000, 0.0002819700000000 ] - [ -0.0000141700000000, -0.0006062100000000, 0.0003497400000000 ] - [ 0.0033822100000000, 0.0029846000000000, 0.0043951700000000 ] - [ -0.0000577200000000, 0.0002160700000000, -0.0000280500000000 ] - [ 0.0014668400000000, -0.0007917900000000, 0.0023523400000000 ] - [ -0.0001577600000000, 0.0005215900000000, 0.0002375500000000 ] - [ 0.0010356800000000, 0.0002134200000000, -0.0007003700000000 ] - [ 0.0021442500000000, -0.0010265100000000, -0.0024029900000000 ] - [ -0.0004818800000000, -0.0002959200000000, 0.0000697000000000 ] - [ -0.0002059100000000, -0.0004166800000000, -0.0000650400000000 ] - [ 0.0001580600000000, -0.0000752100000000, 0.0002034400000000 ] - [ 0.0002853200000000, 0.0000485500000000, -0.0002535500000000 ] - [ -0.0001614600000000, -0.0009315800000000, 0.0016281300000000 ] - [ 0.0000877000000000, -0.0002868800000000, -0.0004858900000000 ] - [ 0.0004902600000000, 0.0005520900000000, -0.0000057500000000 ] - [ -0.0024356000000000, -0.0010779800000000, 0.0011153900000000 ] - [ -0.0046940900000000, -0.0007626300000000, -0.0013893000000000 ] - [ 0.0002163300000000, -0.0003537400000000, 0.0002004800000000 ] - [ -0.0009198000000000, -0.0000112300000000, -0.0008770500000000 ] - [ 0.0013632600000000, -0.0005490200000000, -0.0005422300000000 ] - [ 0.0002707400000000, -0.0001763100000000, -0.0001862500000000 ] - [ 0.0000905200000000, 0.0000834700000000, -0.0006926900000000 ] - [ -0.0000744300000000, 0.0005797500000000, 0.0002171400000000 ] - [ -0.0016103700000000, 0.0030458000000000, -0.0002135000000000 ] - [ 0.0001272800000000, -0.0000981000000000, -0.0004958300000000 ] - [ -0.0001814200000000, -0.0000083900000000, 0.0000498400000000 ] - [ -0.0001113500000000, 0.0000011600000000, 0.0003614100000000 ] - [ -0.0001182500000000, 0.0000152900000000, 0.0004488900000000 ] - [ -0.0000453000000000, 0.0001450400000000, -0.0001901900000000 ] - [ 0.0002529100000000, -0.0001509100000000, -0.0000355400000000 ] - [ 0.0004877100000000, -0.0003413400000000, 0.0000078500000000 ] - [ -0.0046686600000000, 0.0006172700000000, 0.0001099100000000 ] - [ 0.0006125400000000, -0.0000087500000000, 0.0009836800000000 ] - [ 0.0000935100000000, -0.0000932400000000, 0.0000443900000000 ] - [ -0.0002421400000000, 0.0000078700000000, -0.0002828600000000 ] - [ 0.0000415900000000, -0.0004189000000000, 0.0004292100000000 ] - [ 0.0003912100000000, 0.0001152600000000, -0.0001996000000000 ]- atom: 95 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000951400000000, -0.0021799500000000, -0.0007290100000000 ] - [ -0.0000531800000000, -0.0003025600000000, -0.0002232500000000 ] - [ 0.0003263300000000, 0.0007802300000000, -0.0003748000000000 ] - [ 0.0005312000000000, -0.0002689500000000, 0.0008114700000000 ] - [ 0.0000203300000000, -0.0008356300000000, 0.0001922700000000 ] - [ 0.0001123400000000, -0.0022787700000000, -0.0027765700000000 ] - [ -0.0001261800000000, -0.0004616700000000, 0.0001242100000000 ] - [ 0.0001258900000000, 0.0042169100000000, 0.0004202000000000 ] - [ -0.0007785500000000, -0.0000943200000000, -0.0008561900000000 ] - [ -0.0002086900000000, -0.0004027000000000, 0.0005551800000000 ] - [ 0.0001077500000000, 0.0001164400000000, -0.0003713300000000 ] - [ 0.0000722000000000, -0.0019290800000000, 0.0011804200000000 ] - [ 0.0004523000000000, -0.0007070300000000, 0.0001502500000000 ] - [ -0.0000012800000000, -0.0001352500000000, 0.0004755400000000 ] - [ -0.0000785000000000, -0.0006908600000000, -0.0003888200000000 ] - [ -0.0003353700000000, -0.0005590800000000, 0.0000146200000000 ] - [ 0.0007470300000000, -0.0028051400000000, 0.0024394100000000 ] - [ -0.0005146500000000, 0.0006517800000000, 0.0001941400000000 ] - [ -0.0004340900000000, -0.0007357900000000, -0.0001549800000000 ] - [ 0.0006267500000000, 0.0004204200000000, -0.0006879200000000 ] - [ 0.0002747000000000, -0.0008878100000000, -0.0000171600000000 ] - [ -0.0001526200000000, -0.0000936900000000, -0.0005884700000000 ] - [ -0.0001619900000000, 0.0040799300000000, 0.0000110300000000 ] - [ -0.0001442700000000, 0.0005140900000000, 0.0004836300000000 ] - [ -0.0016601800000000, -0.0045469100000000, 0.0002983900000000 ] - [ 0.0017465400000000, -0.0048746200000000, 0.0005368800000000 ] - [ 0.0024163900000000, 0.0128712300000000, -0.0027264500000000 ] - [ -0.0138324400000000, -0.0071965600000000, -0.0002683500000000 ] - [ 0.0000205500000000, -0.0009684400000000, -0.0002568500000000 ] - [ 0.0021105600000000, 0.0060008800000000, -0.0004828800000000 ] - [ -0.0002309100000000, -0.0030821900000000, 0.0003974900000000 ] - [ 0.0005196500000000, -0.0038910400000000, -0.0002182900000000 ] - [ -0.0000199800000000, -0.0013886800000000, 0.0001171900000000 ] - [ -0.0002807100000000, -0.0010544300000000, -0.0004566300000000 ] - [ 0.0000374800000000, -0.0009789700000000, -0.0002131000000000 ] - [ 0.0000118600000000, -0.0011679800000000, -0.0004916400000000 ] - [ 0.0002780400000000, 0.0050682700000000, 0.0007404900000000 ] - [ 0.0001844600000000, -0.0036124500000000, -0.0001766800000000 ] - [ 0.0088926100000000, -0.0049839200000000, 0.0008154000000000 ] - [ 0.0000968800000000, -0.0030193100000000, 0.0000597400000000 ] - [ -0.0011749200000000, 0.0522063100000000, -0.0121307100000000 ] - [ 0.0003118100000000, 0.0010470400000000, -0.0009312000000000 ] - [ 0.0000999800000000, 0.0003405400000000, 0.0002081600000000 ] - [ -0.0003184500000000, -0.0017418100000000, 0.0002329200000000 ] - [ 0.0024818600000000, 0.0243132000000000, 0.0025049800000000 ] - [ 0.0004321400000000, 0.0042651500000000, -0.0009807900000000 ] - [ -0.0000342500000000, 0.0012387500000000, 0.0006755100000000 ] - [ -0.0001305600000000, 0.0007461600000000, 0.0003534100000000 ] - [ 0.0000418300000000, -0.0007911200000000, -0.0001434500000000 ] - [ 0.0001066500000000, -0.0018568100000000, 0.0000983100000000 ] - [ 0.0015090900000000, 0.0009774300000000, 0.0001797000000000 ] - [ -0.0000688700000000, 0.0007363100000000, 0.0028245100000000 ] - [ -0.0126082600000000, 0.2123276900000000, 0.0684052700000000 ] - [ -0.0001656800000000, -0.0020815400000000, 0.0009529500000000 ] - [ 0.0003297500000000, -0.0002011000000000, -0.0000503900000000 ] - [ 0.0006194200000000, -0.0008783200000000, 0.0001940800000000 ] - [ -0.0000406300000000, 0.0002822100000000, -0.0000327700000000 ] - [ 0.0002574100000000, -0.0013064600000000, 0.0001258200000000 ] - [ -0.0002516200000000, 0.0023430600000000, -0.0000838100000000 ] - [ 0.0032258200000000, -0.0033306900000000, -0.0002701000000000 ] - [ -0.0012597100000000, 0.0007580200000000, -0.0004772400000000 ] - [ -0.0004901600000000, -0.0004382600000000, 0.0000831200000000 ] - [ -0.0001306400000000, -0.0000701600000000, 0.0001885200000000 ] - [ 0.0000756200000000, 0.0012697900000000, 0.0003117900000000 ] - [ -0.0004786700000000, -0.0006242500000000, 0.0009766300000000 ] - [ -0.0017281300000000, 0.0053829800000000, 0.0046660200000000 ] - [ -0.0010083100000000, 0.0005938600000000, -0.0028184800000000 ] - [ 0.0015822400000000, 0.0067780500000000, -0.0087907100000000 ] - [ 0.0004936300000000, -0.0010269300000000, -0.0010096000000000 ] - [ -0.0003337200000000, -0.0007830800000000, -0.0007401500000000 ] - [ 0.0001522700000000, 0.0013544700000000, -0.0031713600000000 ] - [ -0.0007251800000000, -0.0029127500000000, 0.0003616600000000 ] - [ 0.0002131200000000, -0.0014691000000000, 0.0025296400000000 ] - [ 0.0003956300000000, -0.0005214000000000, 0.0005328000000000 ] - [ 0.0006087400000000, -0.0008254000000000, -0.0016084700000000 ] - [ -0.0007133200000000, -0.0017982700000000, 0.0010282900000000 ] - [ -0.0000083200000000, -0.0012945300000000, -0.0000913800000000 ] - [ 0.0009432200000000, -0.0029354700000000, -0.0002277500000000 ] - [ -0.0000215600000000, 0.0014062900000000, 0.0000136700000000 ] - [ -0.0044218300000000, 0.0002697400000000, 0.0000848800000000 ] - [ 0.0012118900000000, 0.0029140200000000, -0.0002904300000000 ] - [ -0.0008662300000000, -0.0001798700000000, -0.0027182200000000 ] - [ 0.0000923100000000, 0.0009634900000000, 0.0004335400000000 ] - [ 0.0005659400000000, 0.0049158500000000, -0.0004588700000000 ] - [ 0.0087480800000000, -0.0021000800000000, -0.0043166000000000 ] - [ 0.0003388000000000, 0.0004336000000000, 0.0007711900000000 ] - [ -0.0003038000000000, 0.0009616400000000, -0.0000457300000000 ] - [ -0.0004664700000000, 0.0011074600000000, -0.0004433000000000 ] - [ -0.0003167600000000, 0.0004779000000000, 0.0000877000000000 ] - [ 0.0000899700000000, -0.0001503100000000, 0.0001847900000000 ] - [ 0.0016914200000000, -0.0010917600000000, -0.0035171000000000 ] - [ -0.0010889200000000, 0.0037560000000000, 0.0002142200000000 ] - [ -0.0002790500000000, 0.0005642300000000, -0.0000902000000000 ] - [ 0.0002103400000000, -0.0019684900000000, -0.0025041100000000 ] - [ 0.0053392800000000, -0.3862437800000000, -0.1022735100000000 ] - [ 0.0007622400000000, -0.0029948300000000, -0.0001209500000000 ] - [ 0.0093164200000000, 0.0060554000000000, -0.0010855200000000 ] - [ 0.0000511000000000, 0.0020970200000000, -0.0004026600000000 ] - [ 0.0012237000000000, 0.0002912600000000, 0.0046197500000000 ] - [ -0.0367022800000000, 0.0268821600000000, 0.0263063000000000 ] - [ 0.0003398400000000, -0.0005300800000000, -0.0002464800000000 ] - [ -0.0019958300000000, -0.0008053400000000, 0.0033668400000000 ] - [ 0.0002977800000000, 0.0013570200000000, 0.0012177600000000 ] - [ -0.0001093200000000, 0.0011619400000000, 0.0001551100000000 ] - [ 0.0000741600000000, -0.0005097900000000, -0.0002096000000000 ] - [ 0.0016234000000000, -0.0030001100000000, -0.0001990700000000 ] - [ 0.0002043500000000, -0.0003145100000000, 0.0017589300000000 ] - [ -0.0000431000000000, 0.0001472000000000, -0.0016244400000000 ] - [ 0.0006564900000000, -0.0014125600000000, -0.0015807100000000 ] - [ 0.0000064200000000, 0.0005628100000000, 0.0014911200000000 ] - [ -0.0001291500000000, 0.0014304900000000, -0.0006614200000000 ] - [ -0.0002250000000000, 0.0011925800000000, 0.0002462400000000 ] - [ 0.0001983900000000, 0.0008101700000000, 0.0000510400000000 ] - [ -0.0000233900000000, 0.0007174100000000, 0.0002959500000000 ] - [ 0.0005187200000000, -0.0013317700000000, 0.0012330700000000 ] - [ 0.0006561400000000, 0.0010242100000000, -0.0000853200000000 ] - [ 0.0007704100000000, -0.0014782900000000, -0.0027617400000000 ] - [ 0.0002257600000000, 0.0005999800000000, 0.0002342400000000 ] - [ -0.0000268900000000, -0.0000742100000000, -0.0000983000000000 ] - [ -0.0145792100000000, 0.0050198800000000, -0.0004337400000000 ] - [ 0.0034586200000000, 0.0008815900000000, -0.0000399500000000 ] - [ -0.0002308200000000, 0.0007528900000000, 0.0001152000000000 ] - [ -0.0002738400000000, 0.0025256400000000, 0.0000582200000000 ] - [ -0.0006695800000000, 0.0023577500000000, 0.0003487400000000 ] - [ -0.0000124100000000, 0.0002740300000000, 0.0000134500000000 ] - [ 0.0007474900000000, -0.0026853100000000, 0.0035833400000000 ] - [ -0.0000643000000000, 0.0031098800000000, -0.0008716800000000 ] - [ -0.0002271300000000, 0.0012164300000000, -0.0009325800000000 ] - [ 0.0465398000000000, 0.0589470400000000, 0.0222194500000000 ] - [ 0.0006015100000000, 0.0020871100000000, 0.0000346700000000 ] - [ -0.0003436500000000, 0.0007379500000000, -0.0005253400000000 ] - [ 0.0003815500000000, 0.0008172100000000, -0.0004311900000000 ] - [ -0.0000036400000000, -0.0000386800000000, -0.0002121800000000 ] - [ -0.0000197800000000, -0.0010240900000000, -0.0004661600000000 ] - [ -0.0010724800000000, 0.0021334800000000, -0.0004199600000000 ] - [ -0.0070879500000000, 0.0064660600000000, 0.0005220900000000 ] - [ 0.0001728000000000, 0.0006978600000000, -0.0000290000000000 ] - [ -0.0002133300000000, -0.0006438500000000, -0.0000432600000000 ] - [ 0.0001148900000000, 0.0014339900000000, -0.0001664500000000 ] - [ -0.0010565700000000, -0.0012499500000000, 0.0002434800000000 ] - [ -0.0002866100000000, -0.0002040100000000, 0.0001128000000000 ] - [ -0.0038967300000000, -0.0047411300000000, 0.0045889300000000 ] - [ 0.0000245200000000, -0.0004095100000000, -0.0003217400000000 ] - [ 0.0019170800000000, -0.0048046500000000, -0.0016970200000000 ] - [ -0.0000136600000000, -0.0005725700000000, 0.0002827900000000 ] - [ -0.0007204800000000, -0.0019365500000000, 0.0017995700000000 ] - [ 0.0003241500000000, 0.0035810600000000, 0.0130134000000000 ] - [ -0.0004052700000000, 0.0005388300000000, 0.0001423400000000 ] - [ -0.0003183000000000, -0.0001858200000000, 0.0002502800000000 ] - [ 0.0000378900000000, 0.0008205600000000, 0.0006675200000000 ] - [ -0.0000664400000000, 0.0016943100000000, 0.0008327900000000 ] - [ 0.0001926600000000, 0.0009303600000000, -0.0017769200000000 ] - [ 0.0005047600000000, 0.0005780800000000, -0.0000364300000000 ] - [ 0.0005963100000000, 0.0023031000000000, 0.0000373800000000 ] - [ -0.0021001900000000, -0.0025454500000000, 0.0005377600000000 ] - [ 0.0008379200000000, -0.0039160600000000, -0.0001277300000000 ] - [ 0.0001184300000000, -0.0002191800000000, 0.0003849900000000 ] - [ -0.0004112600000000, -0.0012308400000000, -0.0010396000000000 ] - [ -0.0002336500000000, -0.0025840900000000, -0.0090207600000000 ] - [ 0.0000798100000000, -0.0014813100000000, -0.0000647300000000 ] - [ -0.0000699500000000, 0.0009431000000000, -0.0017847800000000 ] - [ -0.0000864500000000, 0.0016003200000000, 0.0000482000000000 ] - [ -0.0043656800000000, 0.0020679300000000, 0.0002959800000000 ] - [ 0.0003576200000000, 0.0010791600000000, 0.0010765400000000 ] - [ -0.0007563300000000, 0.0012232900000000, 0.0007552300000000 ] - [ -0.0001825100000000, 0.0004015500000000, -0.0000759800000000 ] - [ 0.0000479200000000, 0.0004782900000000, 0.0006374300000000 ] - [ -0.0000715600000000, 0.0019447000000000, -0.0003435900000000 ] - [ 0.0002189000000000, 0.0000870500000000, -0.0000144400000000 ] - [ 0.0006140200000000, -0.0015371200000000, -0.0000051700000000 ] - [ -0.0008811100000000, -0.0030137900000000, 0.0001326900000000 ] - [ 0.0010002800000000, -0.0017521200000000, 0.0008833300000000 ] - [ -0.0001453600000000, -0.0004196800000000, -0.0000989100000000 ] - [ -0.0001874100000000, 0.0008602900000000, -0.0007419700000000 ] - [ 0.0004521900000000, -0.0014489400000000, 0.0000550300000000 ] - [ 0.0007048900000000, 0.0014798900000000, -0.0004186800000000 ]- atom: 95 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002843100000000, 0.0019468600000000, 0.0009038500000000 ] - [ -0.0000789500000000, 0.0007441300000000, 0.0001713500000000 ] - [ 0.0002913000000000, -0.0007889100000000, 0.0002349000000000 ] - [ -0.0004351600000000, -0.0003956600000000, -0.0005288800000000 ] - [ -0.0001123800000000, 0.0001640800000000, -0.0004698300000000 ] - [ -0.0003060600000000, 0.0020616300000000, 0.0025926300000000 ] - [ -0.0000638600000000, 0.0006741000000000, -0.0003119000000000 ] - [ 0.0007536300000000, -0.0038613500000000, -0.0002069200000000 ] - [ 0.0008339500000000, -0.0000080300000000, 0.0007351300000000 ] - [ 0.0001468200000000, 0.0005065500000000, -0.0004406100000000 ] - [ -0.0000168100000000, 0.0005557900000000, 0.0006449500000000 ] - [ 0.0000617500000000, 0.0014674900000000, -0.0011123900000000 ] - [ 0.0004179100000000, 0.0003665500000000, 0.0000718000000000 ] - [ 0.0000601000000000, 0.0002462700000000, -0.0005889600000000 ] - [ 0.0000184200000000, 0.0005796200000000, 0.0005071600000000 ] - [ -0.0002824800000000, 0.0005482600000000, 0.0001278400000000 ] - [ -0.0008798400000000, 0.0023557900000000, -0.0025023300000000 ] - [ -0.0003593800000000, -0.0009916600000000, -0.0004087300000000 ] - [ -0.0004361300000000, 0.0010719200000000, -0.0000648700000000 ] - [ -0.0004938400000000, 0.0000348800000000, 0.0007432300000000 ] - [ 0.0003430100000000, 0.0008937900000000, -0.0001269800000000 ] - [ 0.0000615200000000, 0.0007593300000000, 0.0003116100000000 ] - [ -0.0004800600000000, -0.0040660600000000, 0.0001013600000000 ] - [ 0.0003331100000000, -0.0002915700000000, -0.0002914100000000 ] - [ 0.0021458900000000, 0.0041916300000000, 0.0006009600000000 ] - [ -0.0016429700000000, 0.0043750200000000, -0.0002553200000000 ] - [ -0.0027781500000000, -0.0138864400000000, 0.0033784200000000 ] - [ 0.0133619000000000, 0.0068737900000000, -0.0006651300000000 ] - [ -0.0001044700000000, 0.0014365400000000, -0.0000221800000000 ] - [ -0.0019340500000000, -0.0056468300000000, -0.0003994200000000 ] - [ 0.0000498200000000, 0.0033917000000000, 0.0004584800000000 ] - [ -0.0004098200000000, 0.0042528300000000, 0.0002906300000000 ] - [ -0.0003692600000000, 0.0024085100000000, 0.0005464800000000 ] - [ -0.0002301700000000, 0.0013708600000000, -0.0004457400000000 ] - [ -0.0001498400000000, 0.0006114200000000, 0.0001404000000000 ] - [ 0.0001700600000000, 0.0008494600000000, -0.0003635000000000 ] - [ 0.0001109300000000, -0.0048838700000000, -0.0007902600000000 ] - [ 0.0002065200000000, 0.0025768200000000, -0.0004966800000000 ] - [ -0.0089725300000000, 0.0045011100000000, -0.0011112600000000 ] - [ 0.0002767900000000, 0.0028223200000000, -0.0001579000000000 ] - [ 0.0012658100000000, -0.0485849700000000, 0.0110187500000000 ] - [ 0.0001996200000000, -0.0007082000000000, 0.0018461700000000 ] - [ 0.0000117200000000, -0.0007185100000000, -0.0001158900000000 ] - [ -0.0000572500000000, 0.0019218300000000, -0.0001259800000000 ] - [ -0.0030458100000000, -0.0244496600000000, -0.0023386700000000 ] - [ -0.0000439700000000, -0.0032391100000000, 0.0003141700000000 ] - [ 0.0001170300000000, -0.0007509400000000, -0.0003796900000000 ] - [ -0.0000504100000000, -0.0010691200000000, 0.0005165500000000 ] - [ -0.0003709600000000, 0.0003164400000000, 0.0000941800000000 ] - [ -0.0000429600000000, 0.0022292700000000, 0.0000645000000000 ] - [ -0.0010732300000000, -0.0008989700000000, -0.0008762000000000 ] - [ 0.0003725700000000, -0.0008885800000000, -0.0022839100000000 ] - [ 0.0146593900000000, -0.2264782200000000, -0.0762942000000000 ] - [ -0.0002460800000000, 0.0027437000000000, -0.0007206200000000 ] - [ -0.0000006100000000, -0.0002812900000000, 0.0000991000000000 ] - [ -0.0003271600000000, 0.0001094900000000, -0.0006452500000000 ] - [ 0.0000703500000000, 0.0003135900000000, -0.0001805900000000 ] - [ 0.0001564600000000, 0.0006290900000000, -0.0003539600000000 ] - [ 0.0001719600000000, -0.0019775300000000, -0.0000794200000000 ] - [ -0.0031994200000000, 0.0027912400000000, 0.0004724500000000 ] - [ 0.0009382300000000, -0.0005989600000000, -0.0000519200000000 ] - [ 0.0007807200000000, 0.0005792100000000, 0.0004646300000000 ] - [ 0.0001004600000000, 0.0006788700000000, 0.0000269400000000 ] - [ -0.0004936000000000, -0.0019354900000000, -0.0000760800000000 ] - [ 0.0001868900000000, 0.0004796400000000, -0.0015114800000000 ] - [ 0.0019522000000000, -0.0055715800000000, -0.0047757700000000 ] - [ 0.0007527100000000, -0.0003305000000000, 0.0029626500000000 ] - [ -0.0012180600000000, -0.0058846700000000, 0.0082951100000000 ] - [ -0.0007821800000000, 0.0017939200000000, 0.0014688400000000 ] - [ 0.0005893000000000, 0.0010454200000000, 0.0005922800000000 ] - [ -0.0005911800000000, -0.0014381200000000, 0.0038818500000000 ] - [ 0.0010557600000000, 0.0033872700000000, -0.0003139400000000 ] - [ -0.0005283500000000, 0.0006735800000000, -0.0020622900000000 ] - [ -0.0008298400000000, 0.0005955200000000, 0.0001613400000000 ] - [ -0.0001713700000000, 0.0007434900000000, 0.0008978900000000 ] - [ 0.0004543200000000, 0.0015308300000000, -0.0008897100000000 ] - [ -0.0000553100000000, 0.0009092600000000, -0.0000714900000000 ] - [ -0.0009125900000000, 0.0023236100000000, 0.0000126500000000 ] - [ 0.0000882000000000, -0.0017802900000000, 0.0001501700000000 ] - [ 0.0040356000000000, 0.0002555800000000, -0.0001242800000000 ] - [ -0.0006918600000000, -0.0021272100000000, 0.0003536300000000 ] - [ 0.0007286300000000, 0.0001705200000000, 0.0035800500000000 ] - [ -0.0006581300000000, -0.0011569200000000, 0.0000321400000000 ] - [ -0.0008562900000000, -0.0041600700000000, 0.0002184800000000 ] - [ -0.0086099500000000, 0.0019483100000000, 0.0049572200000000 ] - [ 0.0001309100000000, -0.0003624700000000, -0.0005736200000000 ] - [ 0.0007600000000000, -0.0010429700000000, -0.0001961200000000 ] - [ -0.0000791300000000, -0.0010202700000000, 0.0002331200000000 ] - [ -0.0000665400000000, -0.0005512200000000, 0.0002956100000000 ] - [ 0.0004320200000000, -0.0006321700000000, -0.0001259400000000 ] - [ -0.0014393300000000, 0.0012763200000000, 0.0038289600000000 ] - [ 0.0008335500000000, -0.0026730500000000, 0.0001386000000000 ] - [ -0.0002044800000000, -0.0000610400000000, 0.0009238300000000 ] - [ 0.0003736100000000, 0.0019206600000000, 0.0030724400000000 ] - [ -0.0067519700000000, 0.3973603100000000, 0.1121702200000000 ] - [ -0.0005419100000000, 0.0019005800000000, -0.0002433500000000 ] - [ -0.0088845200000000, -0.0052334900000000, 0.0013192700000000 ] - [ 0.0000993900000000, -0.0032746300000000, 0.0000649600000000 ] - [ -0.0016140800000000, -0.0002154800000000, -0.0042537000000000 ] - [ 0.0365988000000000, -0.0260697900000000, -0.0266793500000000 ] - [ -0.0001988500000000, 0.0005393600000000, -0.0006214000000000 ] - [ 0.0014254400000000, 0.0008303200000000, -0.0039598900000000 ] - [ 0.0002776300000000, -0.0013238400000000, -0.0006197200000000 ] - [ -0.0001137000000000, -0.0022650900000000, 0.0002123300000000 ] - [ 0.0001767600000000, -0.0005668600000000, -0.0001435600000000 ] - [ -0.0018307100000000, 0.0030612700000000, 0.0003880300000000 ] - [ -0.0006723600000000, 0.0003877900000000, -0.0019582400000000 ] - [ 0.0005206800000000, 0.0003612000000000, 0.0007805900000000 ] - [ -0.0004041400000000, 0.0013111700000000, 0.0013679600000000 ] - [ -0.0003347400000000, -0.0000138100000000, -0.0009072700000000 ] - [ -0.0001985100000000, -0.0019735400000000, 0.0012520400000000 ] - [ 0.0007706500000000, -0.0012722400000000, -0.0000427300000000 ] - [ 0.0001290400000000, -0.0002655600000000, -0.0006361800000000 ] - [ 0.0001029500000000, -0.0006422400000000, 0.0003678700000000 ] - [ -0.0009912000000000, 0.0008102800000000, -0.0003815500000000 ] - [ -0.0003903400000000, -0.0009078900000000, -0.0001201900000000 ] - [ -0.0002138100000000, 0.0015963900000000, 0.0029373200000000 ] - [ 0.0000912400000000, -0.0005021600000000, 0.0000985000000000 ] - [ -0.0002662500000000, -0.0006736800000000, -0.0001473500000000 ] - [ 0.0147574100000000, -0.0052136900000000, 0.0007532900000000 ] - [ -0.0039450600000000, -0.0001063100000000, -0.0000207200000000 ] - [ -0.0000591800000000, -0.0009718400000000, 0.0002181200000000 ] - [ -0.0000431400000000, -0.0026196200000000, -0.0003908800000000 ] - [ 0.0008705500000000, -0.0020238500000000, -0.0002268700000000 ] - [ -0.0003905200000000, -0.0011460600000000, -0.0000644200000000 ] - [ -0.0010099600000000, 0.0025180400000000, -0.0038722900000000 ] - [ -0.0000154700000000, -0.0031824700000000, 0.0002087200000000 ] - [ -0.0000210600000000, -0.0010741200000000, 0.0006319700000000 ] - [ -0.0463405700000000, -0.0595970100000000, -0.0226345800000000 ] - [ 0.0003384900000000, -0.0015122500000000, -0.0001613500000000 ] - [ -0.0001248200000000, -0.0008053800000000, 0.0003353800000000 ] - [ -0.0006430300000000, -0.0009258400000000, 0.0006291700000000 ] - [ -0.0001958500000000, -0.0002931900000000, 0.0000889000000000 ] - [ 0.0001736400000000, 0.0022099200000000, 0.0001195000000000 ] - [ 0.0001195400000000, -0.0019697500000000, 0.0002922700000000 ] - [ 0.0072279700000000, -0.0053512400000000, -0.0008516300000000 ] - [ 0.0007774700000000, -0.0008464800000000, 0.0001544400000000 ] - [ 0.0005964700000000, 0.0005646700000000, -0.0003444100000000 ] - [ 0.0001101500000000, -0.0003211200000000, -0.0002009300000000 ] - [ 0.0001061100000000, 0.0010933500000000, -0.0003779500000000 ] - [ 0.0000338500000000, -0.0008606200000000, 0.0002357800000000 ] - [ 0.0033353200000000, 0.0045576200000000, -0.0048628100000000 ] - [ -0.0001020600000000, 0.0004889500000000, -0.0003446300000000 ] - [ -0.0024906300000000, 0.0049612200000000, 0.0021969300000000 ] - [ -0.0002123600000000, 0.0016740600000000, 0.0000817200000000 ] - [ 0.0011822400000000, 0.0020274800000000, -0.0020459300000000 ] - [ -0.0005485100000000, -0.0036925100000000, -0.0123959400000000 ] - [ -0.0005330800000000, -0.0011023900000000, -0.0000142100000000 ] - [ -0.0002042400000000, -0.0006054900000000, -0.0003100000000000 ] - [ 0.0002084900000000, -0.0009544600000000, -0.0003783000000000 ] - [ 0.0002991600000000, -0.0018406800000000, -0.0012661100000000 ] - [ 0.0000497000000000, -0.0007644100000000, 0.0013257500000000 ] - [ -0.0000221700000000, -0.0010788500000000, -0.0008043200000000 ] - [ -0.0001930700000000, -0.0014182500000000, 0.0000151500000000 ] - [ 0.0016456500000000, 0.0024563600000000, -0.0002976600000000 ] - [ -0.0011025800000000, 0.0041489500000000, 0.0004808400000000 ] - [ 0.0001748900000000, -0.0005413000000000, -0.0001420800000000 ] - [ 0.0008825400000000, 0.0011522900000000, 0.0012318300000000 ] - [ 0.0005464900000000, 0.0019882600000000, 0.0083367000000000 ] - [ 0.0002060100000000, 0.0012548100000000, -0.0002744100000000 ] - [ 0.0002008700000000, -0.0009564900000000, 0.0009215900000000 ] - [ -0.0000636400000000, -0.0004088400000000, 0.0002854000000000 ] - [ 0.0041385000000000, -0.0017584200000000, -0.0004090600000000 ] - [ 0.0000277400000000, -0.0009979400000000, -0.0014451000000000 ] - [ 0.0002956100000000, -0.0011325400000000, -0.0005055300000000 ] - [ -0.0000504700000000, -0.0002524400000000, 0.0005034700000000 ] - [ -0.0001808000000000, -0.0004573700000000, 0.0002109000000000 ] - [ 0.0003606200000000, -0.0017138400000000, 0.0000089100000000 ] - [ -0.0000179800000000, -0.0004089900000000, 0.0001337500000000 ] - [ 0.0003232800000000, 0.0009671900000000, -0.0001260600000000 ] - [ -0.0000511700000000, 0.0035788000000000, 0.0000037400000000 ] - [ -0.0004361100000000, 0.0015575400000000, -0.0013508200000000 ] - [ -0.0001727700000000, 0.0005283600000000, -0.0002408400000000 ] - [ -0.0003887800000000, -0.0008848600000000, 0.0001540000000000 ] - [ -0.0000431400000000, 0.0005689900000000, -0.0000087800000000 ] - [ -0.0001355300000000, -0.0012775900000000, -0.0000415300000000 ]- atom: 95 displacement: [ -0.0035230240541542, 0.0000000000000000, 0.0093588621911988 ] forces: - [ 0.0000291500000000, -0.0005095000000000, 0.0005496800000000 ] - [ -0.0000452000000000, 0.0001317900000000, -0.0002304600000000 ] - [ 0.0004877900000000, 0.0000589200000000, -0.0006712500000000 ] - [ -0.0002522600000000, -0.0001669300000000, -0.0001250800000000 ] - [ -0.0000347500000000, -0.0002506300000000, -0.0000051700000000 ] - [ -0.0008330800000000, -0.0011113100000000, -0.0009461900000000 ] - [ -0.0000804900000000, 0.0003692400000000, -0.0001172100000000 ] - [ -0.0000853300000000, 0.0003961600000000, 0.0027003300000000 ] - [ -0.0003494200000000, -0.0005017500000000, -0.0001663200000000 ] - [ 0.0003745200000000, 0.0003468400000000, 0.0003132100000000 ] - [ 0.0001350200000000, 0.0000034900000000, 0.0003150800000000 ] - [ -0.0000284400000000, 0.0001586100000000, -0.0000487900000000 ] - [ 0.0004469900000000, -0.0002060900000000, -0.0000118200000000 ] - [ 0.0001311300000000, 0.0001364800000000, -0.0001691600000000 ] - [ -0.0000705800000000, -0.0001214800000000, -0.0000963000000000 ] - [ -0.0002933100000000, -0.0000788300000000, 0.0000650600000000 ] - [ -0.0007353100000000, 0.0007390300000000, 0.0012490300000000 ] - [ 0.0000436300000000, 0.0001115000000000, -0.0006875500000000 ] - [ -0.0004519800000000, 0.0001197100000000, -0.0001220800000000 ] - [ 0.0005553800000000, -0.0006520200000000, -0.0006871700000000 ] - [ 0.0002921300000000, -0.0000754400000000, 0.0000676100000000 ] - [ 0.0001802500000000, 0.0002020700000000, -0.0002827300000000 ] - [ -0.0024148200000000, 0.0001160900000000, -0.0002705100000000 ] - [ 0.0003439100000000, 0.0003116900000000, -0.0005682400000000 ] - [ 0.0006122700000000, 0.0006150000000000, 0.0011173800000000 ] - [ -0.0001384300000000, -0.0003539400000000, 0.0005406000000000 ] - [ 0.0074319500000000, 0.0005205600000000, -0.0046885500000000 ] - [ -0.0019493500000000, -0.0000044800000000, 0.0015596200000000 ] - [ -0.0000967900000000, 0.0004750700000000, -0.0004040000000000 ] - [ 0.0019350500000000, -0.0003446600000000, 0.0022650500000000 ] - [ 0.0002613000000000, -0.0002456300000000, 0.0006850000000000 ] - [ -0.0004694200000000, -0.0005001200000000, 0.0004063300000000 ] - [ -0.0002223200000000, 0.0002238000000000, 0.0003773600000000 ] - [ -0.0002166100000000, 0.0002461600000000, -0.0007025000000000 ] - [ 0.0001315900000000, -0.0005991700000000, -0.0006558700000000 ] - [ -0.0000388300000000, -0.0004241800000000, -0.0008040300000000 ] - [ -0.0017229900000000, 0.0025533800000000, -0.0054396600000000 ] - [ 0.0001619100000000, -0.0007321100000000, 0.0000261400000000 ] - [ 0.0062472300000000, -0.0030958700000000, 0.0017072100000000 ] - [ 0.0002020600000000, -0.0003043200000000, -0.0001823400000000 ] - [ -0.0056482900000000, -0.0121745700000000, 0.0129399500000000 ] - [ -0.0001126800000000, -0.0005070900000000, -0.0021783700000000 ] - [ 0.0003561800000000, 0.0004412800000000, -0.0022354500000000 ] - [ -0.0002217900000000, -0.0000206500000000, -0.0002987900000000 ] - [ -0.0022484100000000, -0.0020278800000000, 0.0116085500000000 ] - [ -0.0003536900000000, -0.0005612000000000, -0.0035184400000000 ] - [ 0.0001475700000000, 0.0002815900000000, -0.0023473300000000 ] - [ -0.0005386600000000, 0.0002828500000000, -0.0007242600000000 ] - [ -0.0001824100000000, -0.0007458000000000, -0.0000647000000000 ] - [ 0.0001262300000000, 0.0001512500000000, 0.0001096900000000 ] - [ 0.0014969500000000, 0.0009443500000000, -0.0009716400000000 ] - [ -0.0011139400000000, 0.0011329800000000, 0.0022472000000000 ] - [ -0.0261788600000000, 0.0757427500000000, 0.0789244500000000 ] - [ -0.0004172700000000, 0.0002092900000000, 0.0002646500000000 ] - [ 0.0001814300000000, -0.0004003500000000, -0.0001016500000000 ] - [ 0.0001478000000000, -0.0004559000000000, -0.0004739400000000 ] - [ -0.0001614200000000, 0.0010279400000000, -0.0002050900000000 ] - [ 0.0002756100000000, -0.0003535400000000, -0.0001644100000000 ] - [ 0.0023228900000000, 0.0010415600000000, 0.0000228200000000 ] - [ -0.0006241100000000, -0.0031739200000000, 0.0001012100000000 ] - [ 0.0024651200000000, -0.0012534900000000, -0.0013303200000000 ] - [ 0.0001647300000000, 0.0000755500000000, 0.0000148900000000 ] - [ 0.0001064100000000, 0.0001632900000000, 0.0000270300000000 ] - [ 0.0010269100000000, -0.0006599400000000, -0.0008135800000000 ] - [ -0.0002151000000000, -0.0000429000000000, -0.0004575500000000 ] - [ -0.0023328100000000, 0.0028707200000000, -0.0024798800000000 ] - [ -0.0000390700000000, -0.0007715200000000, -0.0016168800000000 ] - [ -0.0060909400000000, -0.0045956500000000, -0.0024293400000000 ] - [ -0.0001384400000000, 0.0001407100000000, -0.0001699300000000 ] - [ 0.0000497100000000, -0.0002474900000000, 0.0002860800000000 ] - [ -0.0010597400000000, -0.0004525900000000, 0.0000476700000000 ] - [ -0.0001289100000000, 0.0001119400000000, 0.0001257900000000 ] - [ 0.0022663300000000, 0.0021795500000000, -0.0003663800000000 ] - [ -0.0001031400000000, 0.0000769900000000, 0.0006053800000000 ] - [ 0.0002276700000000, -0.0000916300000000, -0.0001260300000000 ] - [ -0.0001614200000000, -0.0002775800000000, 0.0003152000000000 ] - [ -0.0000717000000000, -0.0002308000000000, -0.0001035400000000 ] - [ 0.0005141600000000, -0.0011957700000000, -0.0001540400000000 ] - [ -0.0007235700000000, -0.0001374300000000, -0.0001341800000000 ] - [ 0.0006466300000000, 0.0036305900000000, 0.0008689900000000 ] - [ 0.0003257000000000, 0.0003466400000000, -0.0002294100000000 ] - [ -0.0001096300000000, -0.0004171700000000, -0.0024004200000000 ] - [ -0.0002066100000000, 0.0001522800000000, 0.0001354600000000 ] - [ 0.0002975100000000, 0.0007415100000000, -0.0003898000000000 ] - [ -0.0045911000000000, -0.0062513000000000, 0.0007314200000000 ] - [ 0.0002114300000000, 0.0002086200000000, 0.0000825400000000 ] - [ 0.0001956600000000, -0.0000475900000000, -0.0002530200000000 ] - [ -0.0002730400000000, 0.0000361800000000, 0.0000584700000000 ] - [ -0.0002523400000000, -0.0001537600000000, 0.0001301300000000 ] - [ 0.0002741100000000, -0.0004411900000000, 0.0002085600000000 ] - [ -0.0009227700000000, -0.0038020000000000, -0.0012678000000000 ] - [ -0.0003673000000000, 0.0022506900000000, 0.0000040900000000 ] - [ -0.0002073000000000, 0.0002570500000000, 0.0006561400000000 ] - [ 0.0015089800000000, -0.0008311800000000, 0.0031257800000000 ] - [ 0.0591628600000000, -0.1017611000000000, -0.1000166000000000 ] - [ -0.0015807800000000, -0.0013654000000000, -0.0004510100000000 ] - [ -0.0005706000000000, -0.0014217400000000, -0.0000644600000000 ] - [ 0.0001587200000000, -0.0003780000000000, -0.0001842800000000 ] - [ 0.0000403700000000, 0.0001654800000000, -0.0000373800000000 ] - [ -0.0226634700000000, 0.0350158600000000, 0.0048400100000000 ] - [ -0.0007000300000000, 0.0005381200000000, 0.0012305700000000 ] - [ -0.0013974700000000, 0.0005943100000000, 0.0014038200000000 ] - [ 0.0002960800000000, 0.0001886100000000, -0.0000516500000000 ] - [ -0.0003086000000000, -0.0005223600000000, 0.0000754600000000 ] - [ 0.0000034500000000, -0.0003857600000000, 0.0002361100000000 ] - [ -0.0055434900000000, 0.0039937100000000, 0.0015439900000000 ] - [ 0.0000772500000000, 0.0001272400000000, 0.0006163800000000 ] - [ 0.0004855100000000, -0.0001815400000000, -0.0007435800000000 ] - [ 0.0019579600000000, -0.0015481000000000, -0.0000635700000000 ] - [ -0.0003437700000000, 0.0009865500000000, 0.0017026800000000 ] - [ -0.0000771500000000, -0.0001834300000000, -0.0000853600000000 ] - [ 0.0002793000000000, 0.0000770500000000, 0.0002655300000000 ] - [ 0.0001249900000000, 0.0008313700000000, -0.0003226900000000 ] - [ -0.0000345200000000, 0.0004571100000000, 0.0003402100000000 ] - [ -0.0013269000000000, 0.0006007300000000, -0.0005890100000000 ] - [ 0.0000425200000000, 0.0000949200000000, 0.0000349500000000 ] - [ -0.0014070700000000, -0.0040209300000000, 0.0024643800000000 ] - [ 0.0001180600000000, 0.0002309700000000, 0.0002710600000000 ] - [ -0.0003026400000000, -0.0004480100000000, 0.0001451500000000 ] - [ -0.0006441000000000, 0.0044246900000000, -0.0042235700000000 ] - [ -0.0019710200000000, -0.0007465200000000, -0.0005300600000000 ] - [ -0.0000927400000000, -0.0000708400000000, 0.0002432600000000 ] - [ -0.0001964200000000, 0.0007417200000000, -0.0001640600000000 ] - [ -0.0004136800000000, 0.0011481900000000, 0.0001464000000000 ] - [ -0.0002194600000000, -0.0004418600000000, 0.0000436100000000 ] - [ 0.0022732900000000, 0.0006220200000000, 0.0023942300000000 ] - [ 0.0001118700000000, 0.0001674400000000, -0.0004808900000000 ] - [ -0.0001173000000000, 0.0000129200000000, 0.0000295900000000 ] - [ 0.0108158600000000, 0.0057480700000000, -0.0163546600000000 ] - [ 0.0003834000000000, 0.0003493700000000, -0.0001535900000000 ] - [ -0.0003403500000000, -0.0000344600000000, -0.0004355600000000 ] - [ -0.0000815700000000, -0.0000400800000000, 0.0002410600000000 ] - [ -0.0001400700000000, -0.0001115600000000, 0.0002112600000000 ] - [ -0.0005230600000000, 0.0003476400000000, 0.0011285400000000 ] - [ -0.0003460500000000, -0.0000222700000000, -0.0002163100000000 ] - [ 0.0026236300000000, 0.0002163100000000, -0.0008519500000000 ] - [ 0.0004156500000000, -0.0000627200000000, 0.0001568400000000 ] - [ -0.0001429500000000, -0.0003829400000000, 0.0011690500000000 ] - [ 0.0001481000000000, 0.0005746400000000, -0.0001354200000000 ] - [ -0.0008935400000000, -0.0000012100000000, 0.0012467900000000 ] - [ -0.0001241100000000, -0.0009507500000000, 0.0004103400000000 ] - [ -0.0016560800000000, 0.0064100500000000, 0.0120452800000000 ] - [ -0.0002237900000000, 0.0004474300000000, 0.0004282900000000 ] - [ -0.0006123700000000, -0.0013747700000000, 0.0060923800000000 ] - [ 0.0003743100000000, 0.0005372600000000, 0.0007335400000000 ] - [ 0.0009680800000000, 0.0005248100000000, 0.0003119000000000 ] - [ 0.0012343200000000, 0.0053961100000000, -0.0012941300000000 ] - [ -0.0004436900000000, -0.0002432600000000, 0.0001215500000000 ] - [ -0.0001208000000000, 0.0000004100000000, 0.0002118500000000 ] - [ 0.0001632900000000, -0.0000007800000000, 0.0004436800000000 ] - [ 0.0001848700000000, 0.0003426700000000, 0.0000134100000000 ] - [ -0.0008522200000000, -0.0015100700000000, 0.0015639000000000 ] - [ 0.0002222600000000, -0.0001682800000000, -0.0003132900000000 ] - [ 0.0003439900000000, 0.0005159500000000, -0.0001683200000000 ] - [ -0.0023817000000000, -0.0011566700000000, 0.0012689700000000 ] - [ -0.0026235000000000, -0.0010466300000000, -0.0021417800000000 ] - [ 0.0001177700000000, 0.0001266000000000, 0.0005403300000000 ] - [ -0.0000278400000000, -0.0003094600000000, -0.0004523300000000 ] - [ 0.0009638200000000, -0.0019172100000000, 0.0000613200000000 ] - [ 0.0008741900000000, -0.0002093100000000, 0.0005645900000000 ] - [ 0.0001413000000000, -0.0000815700000000, -0.0003755900000000 ] - [ -0.0001194500000000, 0.0006978900000000, 0.0003062500000000 ] - [ -0.0000851300000000, 0.0011433800000000, -0.0002382800000000 ] - [ 0.0002530600000000, 0.0001725700000000, -0.0007702400000000 ] - [ -0.0002084600000000, 0.0001857900000000, 0.0000674300000000 ] - [ -0.0001666900000000, 0.0000531800000000, 0.0006154400000000 ] - [ -0.0000931000000000, 0.0000081900000000, 0.0007372800000000 ] - [ 0.0000420100000000, 0.0001800600000000, -0.0002280100000000 ] - [ 0.0002872500000000, -0.0005027500000000, 0.0001519800000000 ] - [ 0.0010715900000000, -0.0004631100000000, 0.0005894600000000 ] - [ -0.0029373700000000, -0.0000667700000000, -0.0008412800000000 ] - [ 0.0000112900000000, 0.0004563100000000, 0.0010956500000000 ] - [ 0.0000177200000000, -0.0008868600000000, 0.0006152400000000 ] - [ -0.0002851200000000, 0.0000111500000000, -0.0004481500000000 ] - [ -0.0007642300000000, -0.0003734700000000, 0.0011364200000000 ] - [ 0.0003016800000000, 0.0001942800000000, -0.0003779800000000 ]- atom: 95 displacement: [ 0.0035230240541542, 0.0000000000000000, -0.0093588621911988 ] forces: - [ 0.0001608900000000, 0.0002944700000000, -0.0003627800000000 ] - [ -0.0000823200000000, 0.0003073500000000, 0.0001737200000000 ] - [ 0.0001281900000000, -0.0000670900000000, 0.0005224700000000 ] - [ 0.0003449300000000, -0.0004982700000000, 0.0004032600000000 ] - [ -0.0000574600000000, -0.0004131200000000, -0.0002734700000000 ] - [ 0.0006480800000000, 0.0008889400000000, 0.0007492800000000 ] - [ -0.0001092000000000, -0.0001540700000000, -0.0000674500000000 ] - [ 0.0009558300000000, -0.0000591200000000, -0.0024793800000000 ] - [ 0.0004077300000000, 0.0003969400000000, 0.0000538700000000 ] - [ -0.0004317900000000, -0.0002410800000000, -0.0001975600000000 ] - [ -0.0000430400000000, 0.0006588500000000, -0.0000341500000000 ] - [ 0.0001562900000000, -0.0005984400000000, 0.0001026100000000 ] - [ 0.0004200800000000, -0.0001307000000000, 0.0002283100000000 ] - [ -0.0000727000000000, -0.0000330900000000, 0.0000546000000000 ] - [ 0.0000119300000000, 0.0000157000000000, 0.0002071600000000 ] - [ -0.0003234500000000, 0.0000680400000000, 0.0000805100000000 ] - [ 0.0006097900000000, -0.0011782000000000, -0.0012903100000000 ] - [ -0.0009065700000000, -0.0004448700000000, 0.0004673200000000 ] - [ -0.0004152300000000, 0.0002149200000000, -0.0000962500000000 ] - [ -0.0004259500000000, 0.0010851000000000, 0.0007400100000000 ] - [ 0.0003247700000000, 0.0000845000000000, -0.0002124700000000 ] - [ -0.0002738400000000, 0.0004612900000000, 0.0000018600000000 ] - [ 0.0017967800000000, -0.0000968000000000, 0.0004036200000000 ] - [ -0.0001548500000000, -0.0000993300000000, 0.0007515500000000 ] - [ -0.0000858200000000, -0.0009353500000000, -0.0001950900000000 ] - [ 0.0002059500000000, -0.0001170000000000, -0.0002527300000000 ] - [ -0.0078266700000000, -0.0015117100000000, 0.0053442100000000 ] - [ 0.0013402900000000, -0.0003473100000000, -0.0024584700000000 ] - [ 0.0000269400000000, 0.0000000200000000, 0.0001140500000000 ] - [ -0.0017484900000000, 0.0006537800000000, -0.0031250600000000 ] - [ -0.0004498300000000, 0.0005548600000000, 0.0001870100000000 ] - [ 0.0005916300000000, 0.0008667700000000, -0.0003179400000000 ] - [ -0.0001496000000000, 0.0007990400000000, 0.0002878600000000 ] - [ -0.0003074300000000, 0.0000743400000000, -0.0002184200000000 ] - [ -0.0002479800000000, 0.0002191100000000, 0.0005656300000000 ] - [ 0.0002244000000000, 0.0001066500000000, -0.0000683400000000 ] - [ 0.0021014000000000, -0.0023519700000000, 0.0053193500000000 ] - [ 0.0002086300000000, -0.0002970100000000, -0.0006860300000000 ] - [ -0.0062956700000000, 0.0026019000000000, -0.0019840000000000 ] - [ 0.0001969100000000, 0.0001180300000000, 0.0000951000000000 ] - [ 0.0054735400000000, 0.0125656600000000, -0.0128939200000000 ] - [ 0.0006328500000000, 0.0008214900000000, 0.0030881700000000 ] - [ -0.0002383800000000, -0.0008088700000000, 0.0023116700000000 ] - [ -0.0001773600000000, 0.0002019400000000, 0.0003826400000000 ] - [ 0.0010692100000000, 0.0017043900000000, -0.0111767900000000 ] - [ 0.0007301700000000, 0.0015998200000000, 0.0028520500000000 ] - [ -0.0000761100000000, 0.0001894100000000, 0.0026318800000000 ] - [ 0.0003509100000000, -0.0005917700000000, 0.0015890900000000 ] - [ -0.0001345800000000, 0.0002654400000000, 0.0000110300000000 ] - [ -0.0000552400000000, 0.0002429900000000, 0.0000590700000000 ] - [ -0.0010428800000000, -0.0008721200000000, 0.0002743400000000 ] - [ 0.0014038000000000, -0.0012631300000000, -0.0016942700000000 ] - [ 0.0263565200000000, -0.0774803800000000, -0.0791192100000000 ] - [ -0.0000025800000000, 0.0004502200000000, -0.0000247800000000 ] - [ 0.0001367900000000, -0.0000733500000000, 0.0001544600000000 ] - [ 0.0001533600000000, -0.0003264900000000, 0.0000164500000000 ] - [ 0.0001926100000000, -0.0004110800000000, -0.0000118500000000 ] - [ 0.0001449600000000, -0.0003092600000000, -0.0000747900000000 ] - [ -0.0023820100000000, -0.0006385400000000, -0.0001905800000000 ] - [ 0.0005958700000000, 0.0025648600000000, 0.0001125300000000 ] - [ -0.0027366100000000, 0.0013770600000000, 0.0007881800000000 ] - [ 0.0001279500000000, 0.0000569600000000, 0.0005262000000000 ] - [ -0.0001389300000000, 0.0004447500000000, 0.0001891900000000 ] - [ -0.0014423900000000, -0.0000018000000000, 0.0010480000000000 ] - [ -0.0000786600000000, -0.0000900900000000, -0.0000887800000000 ] - [ 0.0025970900000000, -0.0031469600000000, 0.0023431200000000 ] - [ -0.0002172100000000, 0.0010328000000000, 0.0017488200000000 ] - [ 0.0063361000000000, 0.0053327400000000, 0.0019971000000000 ] - [ -0.0001614400000000, 0.0006363500000000, 0.0006207200000000 ] - [ 0.0002028300000000, 0.0005040300000000, -0.0004247500000000 ] - [ 0.0006119100000000, 0.0003902500000000, 0.0006283400000000 ] - [ 0.0004384000000000, 0.0003555200000000, -0.0000703000000000 ] - [ -0.0025428500000000, -0.0029415100000000, 0.0008257000000000 ] - [ -0.0003468000000000, -0.0000083600000000, 0.0000894500000000 ] - [ 0.0002238900000000, 0.0000211500000000, -0.0005675300000000 ] - [ -0.0000920700000000, 0.0000164100000000, -0.0001707800000000 ] - [ 0.0000002700000000, -0.0001662500000000, -0.0000654500000000 ] - [ -0.0004782400000000, 0.0005805100000000, -0.0000627300000000 ] - [ 0.0007934100000000, -0.0002573100000000, 0.0003022200000000 ] - [ -0.0009501600000000, -0.0031552400000000, -0.0009224300000000 ] - [ 0.0001534200000000, 0.0004636500000000, 0.0002914000000000 ] - [ -0.0000215600000000, 0.0003985900000000, 0.0032218200000000 ] - [ -0.0003447400000000, -0.0003200100000000, 0.0003373700000000 ] - [ -0.0005635000000000, 0.0000553600000000, 0.0001425900000000 ] - [ 0.0046966100000000, 0.0061822700000000, -0.0000551500000000 ] - [ 0.0002747000000000, -0.0001365400000000, 0.0001328200000000 ] - [ 0.0002944400000000, -0.0000596300000000, -0.0000012300000000 ] - [ -0.0002902700000000, 0.0000529200000000, -0.0002647100000000 ] - [ -0.0001395500000000, 0.0000845600000000, 0.0002836400000000 ] - [ 0.0001982800000000, -0.0003626600000000, -0.0001423200000000 ] - [ 0.0011485600000000, 0.0039024600000000, 0.0015218600000000 ] - [ 0.0000839800000000, -0.0011608400000000, 0.0003424000000000 ] - [ -0.0002758800000000, 0.0002540900000000, 0.0001793400000000 ] - [ -0.0009446900000000, 0.0008064500000000, -0.0025573100000000 ] - [ -0.0585071100000000, 0.1030316700000000, 0.0993470600000000 ] - [ 0.0018089200000000, 0.0002319300000000, 0.0000806400000000 ] - [ 0.0008244900000000, 0.0021961300000000, 0.0003106600000000 ] - [ -0.0000072100000000, -0.0007959600000000, -0.0001553100000000 ] - [ -0.0004227300000000, -0.0000959700000000, 0.0004722800000000 ] - [ 0.0224263100000000, -0.0345313400000000, -0.0047381000000000 ] - [ 0.0008238600000000, -0.0005149100000000, -0.0020542700000000 ] - [ 0.0008191900000000, -0.0005661700000000, -0.0019644500000000 ] - [ 0.0002746400000000, -0.0001602700000000, 0.0006193600000000 ] - [ 0.0000896400000000, -0.0006050400000000, 0.0002921900000000 ] - [ 0.0002713700000000, -0.0006957200000000, -0.0005827200000000 ] - [ 0.0052590300000000, -0.0038628700000000, -0.0013353800000000 ] - [ -0.0005602200000000, -0.0000581300000000, -0.0008215300000000 ] - [ -0.0000016200000000, 0.0006887500000000, -0.0000927300000000 ] - [ -0.0017099900000000, 0.0014532100000000, -0.0001331500000000 ] - [ 0.0000125600000000, -0.0004453600000000, -0.0011113400000000 ] - [ -0.0002562400000000, -0.0003578900000000, 0.0006678200000000 ] - [ 0.0002878700000000, -0.0001657000000000, -0.0000569700000000 ] - [ 0.0002065300000000, -0.0002874700000000, -0.0002623500000000 ] - [ 0.0001022000000000, -0.0003290700000000, 0.0003229900000000 ] - [ 0.0008296600000000, -0.0011093200000000, 0.0014170400000000 ] - [ 0.0001934600000000, -0.0000058900000000, -0.0002272100000000 ] - [ 0.0019536700000000, 0.0040680400000000, -0.0022304200000000 ] - [ 0.0002072900000000, -0.0000886500000000, 0.0000619800000000 ] - [ 0.0000301200000000, -0.0003318700000000, -0.0003871400000000 ] - [ 0.0009991700000000, -0.0045821400000000, 0.0045344300000000 ] - [ 0.0014970800000000, 0.0015554700000000, 0.0004647100000000 ] - [ -0.0001811800000000, -0.0001687900000000, 0.0000888400000000 ] - [ -0.0001307500000000, -0.0008809000000000, -0.0001682300000000 ] - [ 0.0006320600000000, -0.0008154700000000, -0.0000298100000000 ] - [ -0.0001663200000000, -0.0004237700000000, -0.0001032300000000 ] - [ -0.0024855500000000, -0.0007529000000000, -0.0026705800000000 ] - [ -0.0001804200000000, -0.0002807100000000, -0.0001844700000000 ] - [ -0.0001128400000000, 0.0001253700000000, -0.0003096300000000 ] - [ -0.0096669800000000, -0.0052422700000000, 0.0166433800000000 ] - [ 0.0005833300000000, 0.0002393400000000, 0.0000213800000000 ] - [ -0.0001460900000000, -0.0000367000000000, 0.0002162200000000 ] - [ -0.0001536400000000, -0.0000475000000000, -0.0000474500000000 ] - [ -0.0000777500000000, -0.0002172500000000, -0.0003281200000000 ] - [ 0.0006725100000000, 0.0008243300000000, -0.0014617100000000 ] - [ -0.0005948100000000, 0.0001642900000000, 0.0000926000000000 ] - [ -0.0023315000000000, 0.0008665500000000, 0.0004955000000000 ] - [ 0.0005260500000000, -0.0000796800000000, -0.0000334400000000 ] - [ 0.0005348100000000, 0.0003157000000000, -0.0015807200000000 ] - [ 0.0000712800000000, 0.0005554700000000, -0.0002320000000000 ] - [ -0.0000440800000000, -0.0001379300000000, -0.0013613700000000 ] - [ -0.0001528300000000, -0.0001397800000000, -0.0000608000000000 ] - [ 0.0010360000000000, -0.0063877400000000, -0.0120376100000000 ] - [ 0.0001544100000000, -0.0003266500000000, -0.0010899100000000 ] - [ 0.0000733500000000, 0.0015484700000000, -0.0056807700000000 ] - [ -0.0005929500000000, 0.0005876000000000, -0.0003644600000000 ] - [ -0.0004853800000000, -0.0004268500000000, -0.0005546000000000 ] - [ -0.0014467300000000, -0.0054925100000000, 0.0016951900000000 ] - [ -0.0005219600000000, -0.0003437800000000, 0.0000104100000000 ] - [ -0.0003503600000000, -0.0008004600000000, -0.0002764600000000 ] - [ 0.0000648500000000, -0.0001356900000000, -0.0001615200000000 ] - [ 0.0000458900000000, -0.0004691800000000, -0.0004331300000000 ] - [ 0.0010753500000000, 0.0016298400000000, -0.0019781200000000 ] - [ 0.0002635100000000, -0.0003399100000000, -0.0005191400000000 ] - [ 0.0000433000000000, 0.0003505500000000, 0.0002268500000000 ] - [ 0.0018869200000000, 0.0010448300000000, -0.0010114400000000 ] - [ 0.0023384400000000, 0.0012721400000000, 0.0024517200000000 ] - [ 0.0001520200000000, -0.0009009000000000, -0.0002954200000000 ] - [ 0.0005173300000000, 0.0002387900000000, 0.0006723600000000 ] - [ -0.0006341300000000, 0.0013862200000000, -0.0006357500000000 ] - [ -0.0005955000000000, -0.0000326500000000, -0.0008931700000000 ] - [ -0.0000100000000000, 0.0000623400000000, -0.0004534600000000 ] - [ -0.0000317700000000, 0.0004809400000000, 0.0000336100000000 ] - [ -0.0001249800000000, -0.0008161500000000, 0.0001206900000000 ] - [ 0.0001393200000000, -0.0001062700000000, 0.0003503800000000 ] - [ -0.0002801700000000, -0.0000788800000000, 0.0001841700000000 ] - [ -0.0000662900000000, 0.0000830500000000, -0.0001873000000000 ] - [ -0.0000377300000000, 0.0000118300000000, 0.0000940900000000 ] - [ 0.0002318300000000, 0.0000608400000000, -0.0001042900000000 ] - [ -0.0000663300000000, 0.0001674200000000, -0.0000346200000000 ] - [ -0.0001069200000000, -0.0001264800000000, -0.0007200000000000 ] - [ 0.0019647400000000, 0.0006510700000000, 0.0009747800000000 ] - [ 0.0005436700000000, -0.0006324400000000, -0.0015633600000000 ] - [ -0.0003405500000000, 0.0010200600000000, -0.0009432900000000 ] - [ -0.0002865100000000, -0.0000383000000000, -0.0001273100000000 ] - [ 0.0011473200000000, -0.0004926000000000, -0.0010740100000000 ] - [ 0.0002514500000000, -0.0000203900000000, -0.0000970100000000 ]- atom: 96 displacement: [ 0.0099999639143206, 0.0000000000000000, -0.0000268647033593 ] forces: - [ -0.0000021100000000, -0.0001186400000000, 0.0000981000000000 ] - [ -0.0001095000000000, -0.0000715600000000, -0.0002867700000000 ] - [ 0.0010880800000000, -0.0000351700000000, -0.0003959700000000 ] - [ 0.0000518800000000, -0.0004189300000000, 0.0002396400000000 ] - [ -0.0000571500000000, -0.0009021900000000, 0.0003194600000000 ] - [ -0.0026609600000000, -0.0000177600000000, -0.0001369600000000 ] - [ -0.0001185300000000, 0.0003349200000000, -0.0003800200000000 ] - [ -0.0005216000000000, 0.0013262400000000, 0.0012326100000000 ] - [ 0.0000447100000000, 0.0000276700000000, 0.0000187900000000 ] - [ 0.0027532500000000, 0.0000745500000000, -0.0002501600000000 ] - [ 0.0001473700000000, 0.0002918700000000, 0.0001341300000000 ] - [ -0.0000314500000000, -0.0002147300000000, 0.0000456300000000 ] - [ 0.0004653900000000, -0.0001780700000000, 0.0000792800000000 ] - [ 0.0001304300000000, 0.0000748100000000, -0.0000416500000000 ] - [ -0.0000605600000000, 0.0005689300000000, 0.0005936100000000 ] - [ -0.0002678100000000, 0.0000021500000000, 0.0000433100000000 ] - [ -0.0024983100000000, -0.0003403300000000, 0.0000738900000000 ] - [ 0.0002460800000000, -0.0001513600000000, -0.0004434800000000 ] - [ -0.0004626500000000, 0.0003977000000000, 0.0000757800000000 ] - [ 0.0000203400000000, 0.0000953800000000, -0.0001538100000000 ] - [ 0.0002488300000000, -0.0001984200000000, 0.0000929200000000 ] - [ 0.0031116800000000, 0.0003820200000000, -0.0002352800000000 ] - [ -0.0013663400000000, -0.0011450000000000, 0.0013343600000000 ] - [ 0.0000116700000000, 0.0002851300000000, -0.0000970000000000 ] - [ 0.0003708700000000, -0.0000083500000000, 0.0005610700000000 ] - [ 0.0001637000000000, -0.0004450300000000, 0.0002616600000000 ] - [ -0.0044965900000000, 0.0036439100000000, -0.0040838600000000 ] - [ 0.0412785300000000, -0.0026856000000000, -0.0013734200000000 ] - [ -0.0000146800000000, 0.0001691200000000, -0.0000780500000000 ] - [ 0.0070448900000000, -0.0008487700000000, -0.0000172400000000 ] - [ 0.0036689900000000, -0.0006132400000000, 0.0011314200000000 ] - [ -0.0056629300000000, 0.0003007000000000, 0.0008922600000000 ] - [ -0.0003167900000000, 0.0005125400000000, 0.0002558800000000 ] - [ -0.0002669500000000, 0.0001411700000000, -0.0003635900000000 ] - [ -0.0000942800000000, -0.0001718100000000, -0.0002179400000000 ] - [ 0.0001086100000000, -0.0001495800000000, -0.0004096700000000 ] - [ -0.0016795100000000, 0.0002443600000000, -0.0006548500000000 ] - [ 0.0002322900000000, 0.0005088000000000, -0.0009488700000000 ] - [ 0.0440011300000000, -0.0001903000000000, -0.0031429500000000 ] - [ -0.0000108600000000, -0.0009977500000000, -0.0005429400000000 ] - [ -0.0019418200000000, 0.0001331300000000, 0.0004377000000000 ] - [ 0.0002862600000000, 0.0001950100000000, 0.0002222400000000 ] - [ -0.0003489900000000, -0.0002503400000000, -0.0023971800000000 ] - [ -0.0003140600000000, 0.0001074100000000, -0.0000339900000000 ] - [ -0.0047151500000000, -0.0041438800000000, -0.0038152100000000 ] - [ -0.0022225000000000, 0.0000051300000000, -0.0003304200000000 ] - [ 0.0000490600000000, 0.0002489700000000, -0.0001044900000000 ] - [ -0.0004945400000000, -0.0002585200000000, 0.0031740000000000 ] - [ -0.0001683700000000, -0.0002109000000000, -0.0000307200000000 ] - [ 0.0004094700000000, 0.0001350600000000, 0.0001059900000000 ] - [ 0.0024215600000000, 0.0011735200000000, -0.0000283800000000 ] - [ -0.0003411900000000, 0.0017192000000000, 0.0074281300000000 ] - [ -0.0101121100000000, -0.0003321600000000, 0.0019101400000000 ] - [ -0.0005385900000000, 0.0003026800000000, 0.0001915100000000 ] - [ 0.0000381300000000, -0.0003104400000000, 0.0001027700000000 ] - [ 0.0001221300000000, -0.0003989900000000, -0.0002906700000000 ] - [ -0.0000769600000000, 0.0002650800000000, -0.0001035200000000 ] - [ 0.0002059000000000, -0.0003211400000000, -0.0001734900000000 ] - [ 0.0636119300000000, 0.0007483300000000, -0.0016836900000000 ] - [ 0.0003907300000000, -0.0017970200000000, 0.0001506100000000 ] - [ 0.0016905800000000, -0.0008655800000000, -0.0003433600000000 ] - [ 0.0008079500000000, 0.0002628000000000, 0.0002807300000000 ] - [ -0.0000279000000000, 0.0003055600000000, 0.0001039600000000 ] - [ -0.0002132700000000, -0.0004202400000000, -0.0001929000000000 ] - [ -0.0001293700000000, -0.0000639800000000, -0.0001746400000000 ] - [ -0.0005327000000000, 0.0005760300000000, -0.0002292500000000 ] - [ -0.0015012700000000, -0.0002348900000000, -0.0062694400000000 ] - [ -0.0007549300000000, -0.0000539800000000, -0.0002285900000000 ] - [ -0.0004170800000000, 0.0006138900000000, 0.0002787200000000 ] - [ 0.0001195500000000, 0.0001640500000000, -0.0001584300000000 ] - [ -0.0013213600000000, -0.0030155500000000, 0.0071198100000000 ] - [ 0.0005320600000000, 0.0041451700000000, -0.0002691800000000 ] - [ -0.0030115800000000, 0.0009706800000000, -0.0049364600000000 ] - [ 0.0004495600000000, -0.0000980900000000, 0.0003963900000000 ] - [ 0.0002252700000000, -0.0000224800000000, -0.0002614900000000 ] - [ -0.0003360200000000, -0.0004208500000000, 0.0000386500000000 ] - [ -0.0000148700000000, -0.0002053800000000, -0.0000758300000000 ] - [ -0.0002280700000000, -0.0041988000000000, -0.0000275100000000 ] - [ 0.0001763300000000, -0.0001719700000000, 0.0002347700000000 ] - [ 0.0004284200000000, 0.0021047000000000, 0.0000675200000000 ] - [ -0.0013983700000000, -0.0053944500000000, 0.0007981500000000 ] - [ 0.0031618800000000, -0.0006699900000000, -0.0108441300000000 ] - [ -0.0001874800000000, -0.0001281000000000, 0.0003776000000000 ] - [ 0.0054441300000000, -0.0092161000000000, 0.0011336600000000 ] - [ 0.0014166900000000, -0.0023659500000000, 0.0000864800000000 ] - [ 0.0002105100000000, 0.0000321300000000, 0.0000708600000000 ] - [ -0.0002942100000000, -0.0000956800000000, 0.0000827100000000 ] - [ -0.0001818100000000, 0.0000912000000000, -0.0000090100000000 ] - [ -0.0004386600000000, 0.0000401300000000, 0.0002067100000000 ] - [ 0.0003423600000000, -0.0003316500000000, -0.0004080800000000 ] - [ 0.0039330100000000, 0.0016977500000000, 0.0103800500000000 ] - [ 0.0043541700000000, 0.0089506200000000, 0.0012917800000000 ] - [ -0.0002800800000000, 0.0002510800000000, 0.0003780300000000 ] - [ 0.0005937200000000, -0.0001246000000000, 0.0005556300000000 ] - [ 0.0031947600000000, 0.0000841800000000, -0.0004010300000000 ] - [ -0.1905054500000000, 0.0000459600000000, -0.0040186400000000 ] - [ 0.0003268100000000, -0.0002939600000000, -0.0000107200000000 ] - [ 0.0004836400000000, -0.0006024800000000, -0.0002292200000000 ] - [ 0.0033395300000000, 0.0002527200000000, -0.0110725400000000 ] - [ 0.0101353400000000, -0.0049210700000000, 0.0000487800000000 ] - [ -0.0003739600000000, 0.0002944900000000, 0.0000023700000000 ] - [ 0.0032681800000000, -0.0015663300000000, 0.0105566100000000 ] - [ 0.0002443400000000, -0.0000741500000000, 0.0003298600000000 ] - [ -0.0003405500000000, -0.0005266000000000, 0.0001633700000000 ] - [ 0.0001699600000000, -0.0005435200000000, -0.0001021900000000 ] - [ -0.0016690800000000, 0.0016552200000000, 0.0015777700000000 ] - [ -0.0012318400000000, 0.0003702300000000, -0.0036330400000000 ] - [ -0.0007352500000000, 0.0003650100000000, -0.0035546200000000 ] - [ 0.0021686500000000, -0.0014308900000000, -0.0025674200000000 ] - [ -0.0002988100000000, 0.0015110900000000, 0.0032343200000000 ] - [ 0.0006908900000000, -0.0000514100000000, 0.0001383700000000 ] - [ 0.0006223600000000, -0.0001139900000000, 0.0002074300000000 ] - [ 0.0001542400000000, 0.0002722700000000, -0.0001937800000000 ] - [ 0.0000479300000000, 0.0000336300000000, 0.0003588900000000 ] - [ -0.0016223300000000, -0.0006541500000000, -0.0000375300000000 ] - [ -0.0004352100000000, 0.0001318900000000, 0.0001396600000000 ] - [ 0.0033540900000000, 0.0008137800000000, 0.0021231500000000 ] - [ 0.0001714200000000, 0.0000717900000000, 0.0001855500000000 ] - [ -0.0000323900000000, -0.0003682900000000, 0.0001397300000000 ] - [ 0.0010824900000000, 0.0021878300000000, 0.0002299100000000 ] - [ -0.0011375300000000, 0.0001066600000000, -0.0002884600000000 ] - [ -0.0001491300000000, -0.0001179400000000, 0.0001663400000000 ] - [ 0.0007098100000000, 0.0034939500000000, -0.0002084000000000 ] - [ -0.0008238700000000, 0.0079159400000000, 0.0012969600000000 ] - [ -0.0001631200000000, -0.0004271600000000, 0.0000342400000000 ] - [ 0.0003811200000000, -0.0001029800000000, 0.0000012800000000 ] - [ 0.0009849100000000, -0.0035506000000000, -0.0000937300000000 ] - [ -0.0001373100000000, 0.0001364200000000, -0.0001007200000000 ] - [ 0.0109314700000000, 0.0058731400000000, 0.0002546800000000 ] - [ 0.0000084100000000, 0.0002683900000000, -0.0001597300000000 ] - [ -0.0009833800000000, 0.0001190600000000, -0.0004511100000000 ] - [ -0.0000818300000000, -0.0000625200000000, 0.0000498800000000 ] - [ -0.0001058300000000, -0.0001593800000000, -0.0000566200000000 ] - [ 0.0001251800000000, 0.0006900200000000, 0.0003647100000000 ] - [ -0.0002718400000000, 0.0000425800000000, -0.0000953100000000 ] - [ 0.0004356100000000, 0.0011687300000000, -0.0002831100000000 ] - [ 0.0004903600000000, -0.0000767900000000, 0.0001292700000000 ] - [ -0.0003036800000000, -0.0003552700000000, 0.0000011500000000 ] - [ 0.0000869700000000, 0.0005710000000000, -0.0002909900000000 ] - [ -0.0004105100000000, -0.0000239200000000, 0.0001270100000000 ] - [ -0.0000277400000000, -0.0004969000000000, 0.0004714200000000 ] - [ 0.0007840200000000, 0.0008068600000000, 0.0006945100000000 ] - [ 0.0001864300000000, 0.0001530000000000, -0.0002013000000000 ] - [ 0.0015955500000000, -0.0006483300000000, 0.0008544400000000 ] - [ -0.0001785100000000, 0.0005368100000000, 0.0002160500000000 ] - [ 0.0028782600000000, 0.0020070200000000, -0.0022925100000000 ] - [ 0.0003142100000000, 0.0000486900000000, 0.0000144200000000 ] - [ -0.0004908400000000, -0.0002851700000000, 0.0000706700000000 ] - [ -0.0002368700000000, -0.0004284400000000, -0.0000289300000000 ] - [ 0.0002877000000000, -0.0001954100000000, 0.0001331500000000 ] - [ 0.0009171100000000, -0.0001975200000000, -0.0004171400000000 ] - [ 0.0003121700000000, -0.0010772200000000, 0.0026726200000000 ] - [ -0.0005711800000000, -0.0005889100000000, -0.0006339600000000 ] - [ 0.0004179800000000, 0.0004048300000000, -0.0000591800000000 ] - [ -0.0018672800000000, -0.0016511800000000, 0.0016570900000000 ] - [ 0.0050724600000000, 0.0439903300000000, 0.0030971000000000 ] - [ 0.0001585900000000, -0.0004144900000000, 0.0001860000000000 ] - [ -0.0011623700000000, 0.0003459700000000, -0.0009588700000000 ] - [ 0.0006317300000000, -0.0004550200000000, -0.0004917400000000 ] - [ 0.0001045000000000, -0.0002146300000000, -0.0004087900000000 ] - [ 0.0000597400000000, 0.0000010900000000, -0.0005309300000000 ] - [ -0.0000692800000000, 0.0005816900000000, 0.0002117300000000 ] - [ -0.0005742300000000, 0.0002585200000000, -0.0001120000000000 ] - [ 0.0001914500000000, 0.0000163600000000, -0.0003200300000000 ] - [ -0.0001820600000000, 0.0000613900000000, 0.0000817300000000 ] - [ -0.0001196200000000, 0.0000322600000000, 0.0003037100000000 ] - [ -0.0003031100000000, -0.0000437400000000, 0.0003876600000000 ] - [ -0.0001950500000000, 0.0003166200000000, -0.0002037700000000 ] - [ 0.0002009500000000, -0.0001193100000000, -0.0002979500000000 ] - [ 0.0004481400000000, -0.0002820300000000, -0.0002754600000000 ] - [ 0.0031782300000000, -0.0418834700000000, 0.0025091600000000 ] - [ 0.0023141700000000, -0.0015883800000000, 0.0024346200000000 ] - [ -0.0000071900000000, 0.0000718500000000, -0.0000811100000000 ] - [ -0.0001631900000000, 0.0001252600000000, -0.0002804100000000 ] - [ 0.0002935100000000, -0.0004375800000000, 0.0002117700000000 ] - [ 0.0006388600000000, 0.0001996100000000, -0.0000406500000000 ]- atom: 96 displacement: [ -0.0099999639143206, 0.0000000000000000, 0.0000268647033593 ] forces: - [ 0.0001919700000000, -0.0000895500000000, 0.0000878400000000 ] - [ -0.0000202100000000, 0.0005104200000000, 0.0002360100000000 ] - [ -0.0004693100000000, 0.0000194700000000, 0.0002403000000000 ] - [ 0.0000424600000000, -0.0002411700000000, 0.0000365700000000 ] - [ -0.0000376900000000, 0.0002382500000000, -0.0006051500000000 ] - [ 0.0024691600000000, -0.0002039800000000, -0.0000311900000000 ] - [ -0.0000699300000000, -0.0001225300000000, 0.0001907600000000 ] - [ 0.0013656700000000, -0.0009971200000000, -0.0010004200000000 ] - [ 0.0000120600000000, -0.0001268200000000, -0.0001299500000000 ] - [ -0.0028159400000000, 0.0000000200000000, 0.0003771500000000 ] - [ -0.0000554100000000, 0.0003805100000000, 0.0001471000000000 ] - [ 0.0001605500000000, -0.0002195000000000, 0.0000081100000000 ] - [ 0.0004018000000000, -0.0001536900000000, 0.0001390300000000 ] - [ -0.0000721500000000, 0.0000369400000000, -0.0000740200000000 ] - [ 0.0000039400000000, -0.0006726600000000, -0.0004741600000000 ] - [ -0.0003507000000000, -0.0000081700000000, 0.0001000900000000 ] - [ 0.0023773800000000, -0.0001078700000000, -0.0001472000000000 ] - [ -0.0011139100000000, -0.0001907500000000, 0.0002353400000000 ] - [ -0.0004041200000000, -0.0000552100000000, -0.0002902400000000 ] - [ 0.0001103300000000, 0.0003486800000000, 0.0002123200000000 ] - [ 0.0003698300000000, 0.0002149300000000, -0.0002408100000000 ] - [ -0.0032006200000000, 0.0002533100000000, -0.0000581200000000 ] - [ 0.0007737200000000, 0.0011482800000000, -0.0012068000000000 ] - [ 0.0001756400000000, -0.0000680000000000, 0.0002790100000000 ] - [ 0.0001518200000000, -0.0002865400000000, 0.0003586000000000 ] - [ -0.0000935800000000, -0.0000020200000000, 0.0000270300000000 ] - [ 0.0040150500000000, -0.0046960000000000, 0.0046915000000000 ] - [ -0.0389889200000000, 0.0016210800000000, 0.0004383300000000 ] - [ -0.0000540300000000, 0.0003034500000000, -0.0002120900000000 ] - [ -0.0068565000000000, 0.0013030200000000, -0.0008413500000000 ] - [ -0.0038576500000000, 0.0009578100000000, -0.0002577300000000 ] - [ 0.0057785800000000, 0.0001203900000000, -0.0007989800000000 ] - [ -0.0000566400000000, 0.0005258500000000, 0.0004029200000000 ] - [ -0.0002588600000000, 0.0001778400000000, -0.0005542800000000 ] - [ -0.0000228600000000, -0.0001913900000000, 0.0001308100000000 ] - [ 0.0000772500000000, -0.0001530800000000, -0.0004618100000000 ] - [ 0.0020848500000000, -0.0000789100000000, 0.0005692200000000 ] - [ 0.0001426500000000, -0.0015087100000000, 0.0002742000000000 ] - [ -0.0472899700000000, -0.0008372900000000, 0.0029911100000000 ] - [ 0.0004074500000000, 0.0008403000000000, 0.0004667400000000 ] - [ 0.0018252000000000, 0.0002374500000000, -0.0005213900000000 ] - [ 0.0002377900000000, 0.0001264200000000, 0.0006893000000000 ] - [ 0.0004664200000000, -0.0001341800000000, 0.0024849000000000 ] - [ -0.0000838000000000, 0.0000881300000000, 0.0001230700000000 ] - [ 0.0044181400000000, 0.0039435500000000, 0.0039540100000000 ] - [ 0.0025887600000000, 0.0010020100000000, -0.0003330800000000 ] - [ 0.0000194300000000, 0.0002257100000000, 0.0004024700000000 ] - [ 0.0003093900000000, -0.0000657500000000, -0.0023050700000000 ] - [ -0.0001492100000000, -0.0002570200000000, -0.0000240500000000 ] - [ -0.0003396700000000, 0.0002767900000000, 0.0000625900000000 ] - [ -0.0019706000000000, -0.0010943500000000, -0.0006930400000000 ] - [ 0.0006389000000000, -0.0018681900000000, -0.0069279900000000 ] - [ 0.0105390400000000, 0.0009538900000000, -0.0021682800000000 ] - [ 0.0001185600000000, 0.0003779700000000, 0.0000400500000000 ] - [ 0.0002742900000000, -0.0001733100000000, -0.0000485400000000 ] - [ 0.0001738600000000, -0.0003744900000000, -0.0001610000000000 ] - [ 0.0001124300000000, 0.0003410700000000, -0.0001139200000000 ] - [ 0.0002143900000000, -0.0003361200000000, -0.0000670300000000 ] - [ -0.0637619900000000, -0.0011889100000000, 0.0015130300000000 ] - [ -0.0004184000000000, 0.0012045400000000, 0.0000643000000000 ] - [ -0.0019927000000000, 0.0010086100000000, -0.0001751500000000 ] - [ -0.0005123700000000, -0.0001307900000000, 0.0002742200000000 ] - [ -0.0000048200000000, 0.0003160300000000, 0.0001126000000000 ] - [ -0.0002072100000000, -0.0002486300000000, 0.0004299700000000 ] - [ -0.0001591400000000, -0.0000639500000000, -0.0003729000000000 ] - [ 0.0007873800000000, -0.0008332700000000, 0.0000821100000000 ] - [ 0.0012544200000000, 0.0004882300000000, 0.0064196800000000 ] - [ 0.0010586200000000, 0.0008356500000000, -0.0002259400000000 ] - [ 0.0001130500000000, 0.0001794700000000, 0.0001925500000000 ] - [ 0.0001377800000000, 0.0001045900000000, 0.0000146800000000 ] - [ 0.0008649500000000, 0.0029223800000000, -0.0063886000000000 ] - [ -0.0001803400000000, -0.0036221000000000, 0.0003183500000000 ] - [ 0.0027089400000000, -0.0017538900000000, 0.0053963200000000 ] - [ -0.0009027500000000, 0.0001654000000000, 0.0002849500000000 ] - [ 0.0002204700000000, -0.0000421200000000, -0.0004310400000000 ] - [ 0.0000854700000000, 0.0001750800000000, 0.0000869200000000 ] - [ -0.0000559900000000, -0.0001865900000000, -0.0000929400000000 ] - [ 0.0002198300000000, 0.0036270400000000, -0.0001875900000000 ] - [ -0.0001058700000000, -0.0002319800000000, -0.0000665000000000 ] - [ -0.0007498300000000, -0.0016097900000000, -0.0001199100000000 ] - [ 0.0018439900000000, 0.0061518400000000, -0.0007189700000000 ] - [ -0.0032897400000000, 0.0006857600000000, 0.0117884700000000 ] - [ -0.0003677700000000, -0.0000508300000000, 0.0000985900000000 ] - [ -0.0056440500000000, 0.0098433900000000, -0.0013524000000000 ] - [ -0.0013320300000000, 0.0022252400000000, 0.0005796200000000 ] - [ 0.0002769400000000, 0.0000346200000000, 0.0001435500000000 ] - [ 0.0007833100000000, -0.0000158200000000, -0.0003300100000000 ] - [ -0.0003768300000000, -0.0000133200000000, -0.0001999600000000 ] - [ 0.0000480400000000, -0.0001056800000000, 0.0002129900000000 ] - [ 0.0001332300000000, -0.0004677000000000, 0.0004725200000000 ] - [ -0.0037300900000000, -0.0015016200000000, -0.0100363800000000 ] - [ -0.0046737500000000, -0.0079934900000000, -0.0009642400000000 ] - [ -0.0002036100000000, 0.0002552900000000, 0.0004567800000000 ] - [ -0.0000247400000000, 0.0000990100000000, 0.0000213100000000 ] - [ -0.0033529000000000, -0.0012254100000000, 0.0007547500000000 ] - [ 0.1911514300000000, 0.0007726100000000, 0.0035820400000000 ] - [ -0.0000533600000000, 0.0010570500000000, 0.0002519900000000 ] - [ -0.0003316900000000, -0.0006034600000000, -0.0001114700000000 ] - [ -0.0037309800000000, -0.0001555400000000, 0.0113759000000000 ] - [ -0.0105568900000000, 0.0058699100000000, -0.0001245900000000 ] - [ 0.0005091600000000, -0.0002803000000000, -0.0008579700000000 ] - [ -0.0038138100000000, 0.0016457700000000, -0.0112101700000000 ] - [ 0.0003237900000000, 0.0000918000000000, 0.0002415100000000 ] - [ 0.0001211700000000, -0.0006145100000000, 0.0002046200000000 ] - [ 0.0001060200000000, -0.0005479000000000, -0.0002464600000000 ] - [ 0.0014272700000000, -0.0015820800000000, -0.0014114700000000 ] - [ 0.0007376400000000, -0.0002923900000000, 0.0034017500000000 ] - [ 0.0012273300000000, 0.0001486400000000, 0.0027373600000000 ] - [ -0.0019441300000000, 0.0013588100000000, 0.0023879400000000 ] - [ -0.0000332200000000, -0.0009657700000000, -0.0026510900000000 ] - [ -0.0010231600000000, -0.0005027100000000, 0.0004656200000000 ] - [ -0.0000537000000000, 0.0000165100000000, -0.0000061000000000 ] - [ 0.0001750800000000, 0.0002591700000000, -0.0003877000000000 ] - [ 0.0000209500000000, 0.0000811800000000, 0.0003066800000000 ] - [ 0.0011435100000000, 0.0001282100000000, 0.0008559100000000 ] - [ 0.0006706700000000, -0.0000489600000000, -0.0003395800000000 ] - [ -0.0027948100000000, -0.0007121900000000, -0.0019198300000000 ] - [ 0.0001528700000000, 0.0000582100000000, 0.0001456500000000 ] - [ -0.0002378500000000, -0.0004041400000000, -0.0003836200000000 ] - [ -0.0007737500000000, -0.0023527800000000, 0.0000978300000000 ] - [ 0.0006720100000000, 0.0006792000000000, 0.0002242300000000 ] - [ -0.0001259000000000, -0.0001266400000000, 0.0001647000000000 ] - [ -0.0010282900000000, -0.0036731700000000, -0.0001257600000000 ] - [ 0.0010712600000000, -0.0076508500000000, -0.0012040400000000 ] - [ -0.0002249800000000, -0.0004414400000000, -0.0000928400000000 ] - [ -0.0006136600000000, -0.0000319600000000, -0.0002889900000000 ] - [ -0.0010597400000000, 0.0033871400000000, -0.0005626600000000 ] - [ -0.0000906500000000, -0.0000085300000000, -0.0001822100000000 ] - [ -0.0099548600000000, -0.0056522900000000, -0.0001211500000000 ] - [ 0.0009571500000000, 0.0003060700000000, 0.0000269800000000 ] - [ 0.0004987400000000, -0.0001935400000000, 0.0002470800000000 ] - [ -0.0001575000000000, -0.0000321400000000, 0.0001434200000000 ] - [ -0.0001112700000000, -0.0001785200000000, -0.0000602200000000 ] - [ 0.0000253500000000, 0.0004972400000000, -0.0007037200000000 ] - [ -0.0006637200000000, 0.0000864300000000, -0.0000255200000000 ] - [ -0.0001624800000000, -0.0000987300000000, -0.0000637100000000 ] - [ 0.0004552800000000, -0.0000699700000000, -0.0000064800000000 ] - [ 0.0006936600000000, 0.0002824700000000, -0.0003956500000000 ] - [ 0.0001326200000000, 0.0005538800000000, -0.0000769600000000 ] - [ -0.0005275200000000, -0.0001128800000000, -0.0002475400000000 ] - [ -0.0002512600000000, -0.0005855100000000, -0.0001227000000000 ] - [ -0.0013584500000000, -0.0008972700000000, -0.0009107200000000 ] - [ -0.0002531000000000, -0.0000216400000000, -0.0004622600000000 ] - [ -0.0021349400000000, 0.0008217800000000, -0.0003752900000000 ] - [ -0.0000407200000000, 0.0005916800000000, 0.0001518300000000 ] - [ -0.0023792800000000, -0.0018786200000000, 0.0020296600000000 ] - [ -0.0005460100000000, -0.0001842100000000, 0.0004088500000000 ] - [ -0.0004749600000000, -0.0003075400000000, 0.0000620000000000 ] - [ -0.0002350400000000, -0.0003807100000000, -0.0000367100000000 ] - [ -0.0000610900000000, 0.0000527200000000, 0.0001375700000000 ] - [ -0.0006859300000000, 0.0000556100000000, -0.0000268900000000 ] - [ -0.0000813200000000, 0.0012140300000000, -0.0030995100000000 ] - [ 0.0010519300000000, 0.0000762700000000, -0.0002115000000000 ] - [ -0.0000348100000000, 0.0004497800000000, 0.0001190100000000 ] - [ 0.0013882200000000, 0.0015361900000000, -0.0013848900000000 ] - [ -0.0056287000000000, -0.0436165100000000, -0.0027539800000000 ] - [ 0.0001112400000000, -0.0003709400000000, 0.0000575800000000 ] - [ 0.0016537400000000, -0.0004357800000000, 0.0011986200000000 ] - [ -0.0003030700000000, -0.0000868600000000, -0.0000885100000000 ] - [ 0.0001715900000000, -0.0000169700000000, 0.0000799500000000 ] - [ 0.0000706900000000, -0.0000264600000000, -0.0002986700000000 ] - [ -0.0000812800000000, 0.0005914600000000, 0.0001259300000000 ] - [ 0.0003477400000000, 0.0000517000000000, -0.0000053800000000 ] - [ 0.0002024000000000, 0.0000430500000000, -0.0000990500000000 ] - [ -0.0003005100000000, 0.0000367400000000, 0.0001687700000000 ] - [ -0.0001112500000000, 0.0000955100000000, 0.0001204800000000 ] - [ 0.0001708600000000, 0.0000655000000000, 0.0004342800000000 ] - [ 0.0004723600000000, -0.0000917100000000, -0.0001266700000000 ] - [ 0.0000170000000000, -0.0002093400000000, 0.0004158400000000 ] - [ 0.0005171600000000, -0.0002990000000000, 0.0001415200000000 ] - [ -0.0038406100000000, 0.0425949200000000, -0.0023875000000000 ] - [ -0.0017626400000000, 0.0014326100000000, -0.0029060500000000 ] - [ -0.0003201400000000, 0.0000751500000000, -0.0002506400000000 ] - [ -0.0004075900000000, -0.0001572800000000, -0.0002829300000000 ] - [ 0.0000932000000000, -0.0004245500000000, -0.0001539800000000 ] - [ -0.0000864000000000, -0.0000361600000000, -0.0004263300000000 ]- atom: 96 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000611900000000, -0.0007772300000000, -0.0000562900000000 ] - [ -0.0002825100000000, 0.0001544100000000, -0.0004579000000000 ] - [ 0.0001483600000000, 0.0010770900000000, 0.0003882500000000 ] - [ -0.0001820400000000, -0.0008151400000000, 0.0005622700000000 ] - [ -0.0004294600000000, -0.0004125700000000, 0.0003990100000000 ] - [ 0.0000968400000000, 0.0006323400000000, -0.0004600900000000 ] - [ 0.0000958400000000, 0.0000241100000000, 0.0002915500000000 ] - [ 0.0023842400000000, 0.0007436100000000, -0.0017707600000000 ] - [ 0.0002593200000000, -0.0005414700000000, -0.0004518400000000 ] - [ 0.0000708700000000, 0.0001701400000000, 0.0033408800000000 ] - [ 0.0000134600000000, -0.0005139300000000, -0.0001500100000000 ] - [ 0.0000167700000000, -0.0009137900000000, 0.0002099100000000 ] - [ 0.0004551100000000, -0.0007209700000000, -0.0000025100000000 ] - [ 0.0000830800000000, -0.0008340700000000, 0.0002202600000000 ] - [ 0.0003731500000000, -0.0001886700000000, -0.0005318500000000 ] - [ -0.0003460200000000, -0.0005474700000000, 0.0001853000000000 ] - [ -0.0002417100000000, 0.0005006400000000, 0.0003949700000000 ] - [ -0.0003578700000000, 0.0009035300000000, -0.0004611400000000 ] - [ -0.0002738800000000, -0.0005487100000000, -0.0003348500000000 ] - [ -0.0001377300000000, -0.0001384100000000, -0.0004141000000000 ] - [ 0.0001270000000000, -0.0007222500000000, 0.0001753100000000 ] - [ -0.0004274600000000, 0.0006495100000000, -0.0033177800000000 ] - [ -0.0024274400000000, 0.0007833500000000, 0.0020844700000000 ] - [ 0.0003150400000000, -0.0001990200000000, 0.0005087700000000 ] - [ 0.0003105200000000, -0.0031630400000000, 0.0003944000000000 ] - [ 0.0000438800000000, -0.0032968000000000, 0.0002240500000000 ] - [ 0.0089290600000000, 0.0022107800000000, 0.0079648300000000 ] - [ 0.0017058200000000, 0.0164342000000000, -0.0004465100000000 ] - [ -0.0000374900000000, 0.0000286700000000, -0.0007702000000000 ] - [ -0.0003051800000000, -0.0136168100000000, -0.0018647500000000 ] - [ -0.0001127700000000, -0.0060893800000000, 0.0003057500000000 ] - [ 0.0000264900000000, -0.0013356700000000, -0.0001794300000000 ] - [ -0.0000875200000000, -0.0008343400000000, 0.0005559200000000 ] - [ -0.0001894900000000, -0.0000406300000000, 0.0001268900000000 ] - [ -0.0000617000000000, -0.0013752800000000, -0.0001031000000000 ] - [ 0.0000778800000000, -0.0014071700000000, -0.0004351800000000 ] - [ -0.0002457500000000, 0.0021263100000000, -0.0003511600000000 ] - [ 0.0004794900000000, -0.0030794500000000, 0.0003033900000000 ] - [ -0.0036756300000000, 0.0184392600000000, -0.0004908700000000 ] - [ -0.0002551500000000, -0.0027158100000000, -0.0006313100000000 ] - [ -0.0000989500000000, -0.0000294300000000, -0.0003396000000000 ] - [ 0.0002591700000000, 0.0000792500000000, 0.0013023900000000 ] - [ 0.0000378600000000, 0.0011315500000000, 0.0000418400000000 ] - [ -0.0003364700000000, -0.0012845100000000, -0.0001281800000000 ] - [ -0.0084917400000000, 0.0024811800000000, -0.0066825800000000 ] - [ 0.0006657200000000, 0.0025696700000000, 0.0001284400000000 ] - [ 0.0001243000000000, 0.0001630100000000, -0.0007322900000000 ] - [ -0.0001527500000000, 0.0012361900000000, 0.0003883100000000 ] - [ -0.0000165300000000, -0.0011344900000000, 0.0000414100000000 ] - [ 0.0001428600000000, -0.0017455500000000, 0.0000938100000000 ] - [ 0.0005954000000000, -0.0007301500000000, 0.0028419200000000 ] - [ -0.0008143800000000, 0.0012337400000000, 0.0023579000000000 ] - [ 0.0006586800000000, 0.0019971300000000, 0.0007514200000000 ] - [ -0.0001725000000000, -0.0011834200000000, 0.0006491300000000 ] - [ 0.0004547100000000, 0.0006267500000000, 0.0001294500000000 ] - [ 0.0006194800000000, -0.0011154300000000, -0.0005208300000000 ] - [ -0.0001409500000000, 0.0010817300000000, -0.0001774000000000 ] - [ 0.0002117000000000, -0.0010392900000000, 0.0000816400000000 ] - [ 0.0017405000000000, 0.2471188300000000, 0.0008214400000000 ] - [ -0.0007443600000000, -0.0025103200000000, 0.0002528500000000 ] - [ 0.0000999900000000, -0.0005645800000000, -0.0031844400000000 ] - [ -0.0007058000000000, -0.0004813000000000, -0.0009150900000000 ] - [ -0.0000654300000000, -0.0005859700000000, 0.0000889400000000 ] - [ -0.0002053900000000, 0.0005663500000000, 0.0003687900000000 ] - [ -0.0005862500000000, -0.0005466600000000, 0.0001039000000000 ] - [ 0.0000890800000000, -0.0002847200000000, 0.0007948500000000 ] - [ -0.0012034100000000, 0.0016071800000000, -0.0005483200000000 ] - [ -0.0001065900000000, 0.0004580100000000, -0.0007108300000000 ] - [ 0.0000103500000000, -0.0002395100000000, -0.0005127200000000 ] - [ -0.0003061500000000, -0.0008168800000000, 0.0000009300000000 ] - [ 0.0011031800000000, 0.0021145500000000, -0.0023224400000000 ] - [ 0.0048833900000000, -0.0012433900000000, -0.0002095900000000 ] - [ 0.0012313000000000, 0.0002595700000000, 0.0005809000000000 ] - [ 0.0007251000000000, -0.0005112500000000, 0.0015792600000000 ] - [ 0.0007536600000000, -0.0006313600000000, -0.0007556000000000 ] - [ -0.0003108100000000, -0.0008962500000000, 0.0007809100000000 ] - [ 0.0000009900000000, -0.0009036800000000, -0.0000858000000000 ] - [ -0.0055450100000000, -0.0015541200000000, 0.0006470000000000 ] - [ 0.0001031000000000, 0.0007176700000000, 0.0000794600000000 ] - [ 0.0005856200000000, -0.0018886900000000, -0.0002571900000000 ] - [ -0.0054791100000000, 0.0060060500000000, -0.0008329700000000 ] - [ 0.0016501600000000, -0.0027750700000000, -0.0029986400000000 ] - [ -0.0000359300000000, 0.0008138700000000, 0.0001190500000000 ] - [ -0.0021591600000000, 0.0007371500000000, -0.0000798600000000 ] - [ -0.0021594600000000, 0.0021114700000000, -0.0000429300000000 ] - [ 0.0001413500000000, 0.0005406100000000, 0.0002333000000000 ] - [ -0.0004719700000000, 0.0008921000000000, -0.0004020100000000 ] - [ -0.0004822400000000, 0.0009089100000000, -0.0000115900000000 ] - [ -0.0002569200000000, 0.0003406000000000, -0.0009332600000000 ] - [ 0.0000379300000000, -0.0008031700000000, 0.0000473100000000 ] - [ -0.0009818500000000, -0.0047258300000000, -0.0019923100000000 ] - [ 0.0018888700000000, -0.0001483700000000, -0.0000496000000000 ] - [ -0.0001118100000000, 0.0007821900000000, 0.0002858100000000 ] - [ 0.0002812800000000, -0.0002288500000000, -0.0004964600000000 ] - [ 0.0001611800000000, -0.0030377700000000, -0.0005988100000000 ] - [ -0.0004500000000000, -0.3639104600000000, -0.0029754900000000 ] - [ -0.0004891800000000, 0.0022848400000000, 0.0004002300000000 ] - [ 0.0001634600000000, 0.0011394600000000, -0.0001814300000000 ] - [ -0.0024374000000000, -0.0025715100000000, 0.0049045800000000 ] - [ 0.0009378200000000, -0.0038946400000000, 0.0005379200000000 ] - [ -0.0002187000000000, 0.0004479400000000, 0.0023199000000000 ] - [ 0.0008003700000000, -0.0043124700000000, 0.0015412800000000 ] - [ 0.0004596000000000, 0.0010999400000000, 0.0004552200000000 ] - [ -0.0001536300000000, 0.0011682500000000, 0.0001829700000000 ] - [ 0.0001389600000000, 0.0001342800000000, -0.0001148100000000 ] - [ 0.0002817800000000, 0.0010050800000000, 0.0032836500000000 ] - [ -0.0004667200000000, -0.0009156300000000, 0.0012139000000000 ] - [ 0.0005866700000000, -0.0005625600000000, -0.0015086300000000 ] - [ 0.0012679400000000, -0.0016141200000000, -0.0008077600000000 ] - [ 0.0006594800000000, -0.0008545200000000, 0.0004407500000000 ] - [ -0.0000025400000000, 0.0002162800000000, -0.0005476100000000 ] - [ 0.0002761600000000, 0.0006220500000000, 0.0004271100000000 ] - [ 0.0003585900000000, 0.0010415400000000, -0.0004049700000000 ] - [ -0.0000322200000000, 0.0009730100000000, 0.0001793100000000 ] - [ -0.0003086300000000, 0.0010918600000000, 0.0030519600000000 ] - [ 0.0007608600000000, 0.0010956200000000, 0.0003764900000000 ] - [ -0.0003983600000000, -0.0017846000000000, 0.0002488700000000 ] - [ 0.0002446200000000, 0.0009564800000000, 0.0002540900000000 ] - [ -0.0001860900000000, -0.0008849200000000, -0.0001952400000000 ] - [ 0.0022703500000000, 0.0024853300000000, 0.0007214000000000 ] - [ -0.0014654600000000, 0.0027267300000000, -0.0003713400000000 ] - [ -0.0001801100000000, 0.0005199400000000, 0.0000978300000000 ] - [ 0.0020341300000000, 0.0031373200000000, -0.0002375100000000 ] - [ 0.0087873100000000, 0.0084732300000000, 0.0013762500000000 ] - [ -0.0000419600000000, -0.0000051700000000, -0.0000084400000000 ] - [ 0.0000312100000000, -0.0003822100000000, 0.0004808100000000 ] - [ -0.0017783000000000, 0.0027061200000000, -0.0006517200000000 ] - [ -0.0002985800000000, 0.0011437400000000, -0.0002378400000000 ] - [ -0.0021926200000000, -0.0051173400000000, -0.0002478100000000 ] - [ 0.0004546900000000, 0.0019457500000000, -0.0000608300000000 ] - [ -0.0003450800000000, 0.0011575600000000, -0.0014917400000000 ] - [ 0.0003090100000000, 0.0006331200000000, -0.0000413000000000 ] - [ -0.0001014900000000, 0.0005078400000000, -0.0000925100000000 ] - [ 0.0001162500000000, -0.0005492200000000, -0.0001818100000000 ] - [ -0.0009722300000000, 0.0013246200000000, -0.0002647300000000 ] - [ 0.0009006500000000, 0.0025037900000000, -0.0004179200000000 ] - [ 0.0002625600000000, 0.0003902100000000, -0.0000519800000000 ] - [ 0.0004192300000000, 0.0005956500000000, -0.0026896900000000 ] - [ 0.0001006300000000, 0.0010590800000000, -0.0001824300000000 ] - [ -0.0007030300000000, -0.0006135300000000, -0.0002477200000000 ] - [ -0.0001232800000000, -0.0009870100000000, 0.0002488700000000 ] - [ 0.0006282700000000, 0.0000458000000000, 0.0009405600000000 ] - [ -0.0001424500000000, -0.0009624300000000, -0.0005228000000000 ] - [ -0.0016232100000000, -0.0000133900000000, -0.0007089200000000 ] - [ -0.0001370000000000, -0.0000129900000000, 0.0001779500000000 ] - [ -0.0012744600000000, -0.0022217300000000, 0.0006743700000000 ] - [ -0.0001925600000000, 0.0001001900000000, 0.0007915700000000 ] - [ -0.0004784600000000, 0.0002986800000000, 0.0001129700000000 ] - [ -0.0002784300000000, 0.0001946200000000, -0.0000085300000000 ] - [ 0.0000904000000000, 0.0003954500000000, 0.0005620600000000 ] - [ 0.0000151800000000, 0.0003702700000000, 0.0006540100000000 ] - [ -0.0005612300000000, -0.0007945000000000, -0.0003000200000000 ] - [ 0.0003345200000000, 0.0010278900000000, 0.0008252500000000 ] - [ 0.0005575500000000, 0.0015708300000000, 0.0000302000000000 ] - [ -0.0008719600000000, 0.0003941500000000, -0.0023947700000000 ] - [ 0.0350038900000000, 0.0453246900000000, 0.0033104800000000 ] - [ 0.0000898100000000, 0.0003070300000000, 0.0000600600000000 ] - [ 0.0000148800000000, 0.0017283700000000, -0.0029759400000000 ] - [ 0.0003830800000000, -0.0000284600000000, -0.0008761600000000 ] - [ 0.0001407600000000, -0.0010159900000000, -0.0002931500000000 ] - [ 0.0001602300000000, 0.0007138400000000, -0.0008001600000000 ] - [ -0.0000687200000000, 0.0014583900000000, 0.0001615700000000 ] - [ 0.0011523700000000, 0.0032232800000000, 0.0001072900000000 ] - [ 0.0000371300000000, 0.0008050100000000, 0.0002111400000000 ] - [ -0.0007150300000000, 0.0008449800000000, 0.0003075900000000 ] - [ -0.0002995500000000, 0.0007843900000000, 0.0003809000000000 ] - [ 0.0000302900000000, 0.0003089700000000, 0.0016347000000000 ] - [ 0.0000371900000000, 0.0018863300000000, -0.0002810600000000 ] - [ 0.0002496800000000, -0.0006075100000000, 0.0000557100000000 ] - [ 0.0004207800000000, -0.0011086700000000, 0.0000099000000000 ] - [ -0.0361997600000000, 0.0471532600000000, -0.0025880400000000 ] - [ 0.0006848600000000, -0.0021988200000000, -0.0005004400000000 ] - [ 0.0000067900000000, -0.0008640700000000, -0.0000444300000000 ] - [ -0.0002314400000000, 0.0004119300000000, -0.0007289600000000 ] - [ 0.0003586400000000, -0.0009608700000000, 0.0000709000000000 ] - [ 0.0002896900000000, 0.0008291300000000, -0.0006115500000000 ]- atom: 96 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001283700000000, 0.0005600800000000, 0.0002396700000000 ] - [ 0.0001550000000000, 0.0002807600000000, 0.0004011700000000 ] - [ 0.0004677900000000, -0.0010780300000000, -0.0005358100000000 ] - [ 0.0002729700000000, 0.0001483000000000, -0.0002795500000000 ] - [ 0.0003367300000000, -0.0002562300000000, -0.0006768300000000 ] - [ -0.0002868400000000, -0.0008443200000000, 0.0002741100000000 ] - [ -0.0002857100000000, 0.0001859500000000, -0.0004761500000000 ] - [ -0.0015056900000000, -0.0003990300000000, 0.0019754700000000 ] - [ -0.0001990700000000, 0.0004357100000000, 0.0003349700000000 ] - [ -0.0001252300000000, -0.0001041100000000, -0.0031854600000000 ] - [ 0.0000783000000000, 0.0011738600000000, 0.0004269300000000 ] - [ 0.0001105800000000, 0.0004714400000000, -0.0001522000000000 ] - [ 0.0004123000000000, 0.0003823600000000, 0.0002197600000000 ] - [ -0.0000243000000000, 0.0009329500000000, -0.0003316000000000 ] - [ -0.0004311300000000, 0.0000804100000000, 0.0006434700000000 ] - [ -0.0002705500000000, 0.0005346500000000, -0.0000397900000000 ] - [ 0.0001107600000000, -0.0009389700000000, -0.0004496300000000 ] - [ -0.0005088400000000, -0.0012310000000000, 0.0002451200000000 ] - [ -0.0005936000000000, 0.0008808900000000, 0.0001176000000000 ] - [ 0.0002639600000000, 0.0005759000000000, 0.0004671800000000 ] - [ 0.0004897800000000, 0.0007284800000000, -0.0003213300000000 ] - [ 0.0003350600000000, -0.0000263700000000, 0.0029884900000000 ] - [ 0.0018001600000000, -0.0007641300000000, -0.0019258600000000 ] - [ -0.0001239600000000, 0.0004118200000000, -0.0003210200000000 ] - [ 0.0002152300000000, 0.0028270200000000, 0.0005245300000000 ] - [ 0.0000244200000000, 0.0028077600000000, 0.0000653800000000 ] - [ -0.0092411200000000, -0.0031968800000000, -0.0072403500000000 ] - [ -0.0022666900000000, -0.0167075500000000, -0.0004575900000000 ] - [ -0.0000319900000000, 0.0004380900000000, 0.0004811100000000 ] - [ 0.0004944000000000, 0.0138256600000000, 0.0009800000000000 ] - [ -0.0000706200000000, 0.0063984800000000, 0.0005665400000000 ] - [ 0.0000901200000000, 0.0016925000000000, 0.0002658400000000 ] - [ -0.0002843400000000, 0.0018520600000000, 0.0001076100000000 ] - [ -0.0003349300000000, 0.0003542600000000, -0.0010458900000000 ] - [ -0.0000552800000000, 0.0009951600000000, 0.0000144700000000 ] - [ 0.0001074900000000, 0.0010875000000000, -0.0004362100000000 ] - [ 0.0006400700000000, -0.0019239900000000, 0.0002651600000000 ] - [ -0.0001089200000000, 0.0020436800000000, -0.0009671400000000 ] - [ 0.0037119800000000, -0.0188690800000000, 0.0001859000000000 ] - [ 0.0006546800000000, 0.0025222600000000, 0.0005459900000000 ] - [ -0.0000183700000000, 0.0004057300000000, 0.0002492900000000 ] - [ 0.0002646000000000, 0.0002441600000000, -0.0003770700000000 ] - [ 0.0000785200000000, -0.0015018400000000, 0.0000432500000000 ] - [ -0.0000636400000000, 0.0014596900000000, 0.0002142600000000 ] - [ 0.0080365500000000, -0.0026344100000000, 0.0067110100000000 ] - [ -0.0002941000000000, -0.0015265000000000, -0.0007902300000000 ] - [ -0.0000541200000000, 0.0003135400000000, 0.0010153000000000 ] - [ -0.0000339500000000, -0.0015434800000000, 0.0004850300000000 ] - [ -0.0002986400000000, 0.0006541500000000, -0.0000950600000000 ] - [ -0.0000714200000000, 0.0021338600000000, 0.0000748200000000 ] - [ -0.0001373200000000, 0.0007977300000000, -0.0035129000000000 ] - [ 0.0011009600000000, -0.0013514800000000, -0.0017727800000000 ] - [ -0.0002452000000000, -0.0013183000000000, -0.0009825900000000 ] - [ -0.0002476400000000, 0.0018367200000000, -0.0004071800000000 ] - [ -0.0001373900000000, -0.0011022700000000, -0.0000755300000000 ] - [ -0.0003156600000000, 0.0003314700000000, 0.0000659100000000 ] - [ 0.0001730300000000, -0.0004685600000000, -0.0000391800000000 ] - [ 0.0002087700000000, 0.0003727500000000, -0.0003197900000000 ] - [ -0.0014649300000000, -0.2276532600000000, -0.0008551200000000 ] - [ 0.0007072400000000, 0.0018835000000000, -0.0000358600000000 ] - [ -0.0003950300000000, 0.0006955700000000, 0.0026200000000000 ] - [ 0.0009965100000000, 0.0006107500000000, 0.0014612800000000 ] - [ 0.0000320000000000, 0.0011955500000000, 0.0001272300000000 ] - [ -0.0002146400000000, -0.0012197600000000, -0.0001281100000000 ] - [ 0.0002915700000000, 0.0004117700000000, -0.0006460200000000 ] - [ 0.0001618600000000, 0.0000265900000000, -0.0009289900000000 ] - [ 0.0009407700000000, -0.0013400500000000, 0.0006468600000000 ] - [ 0.0004064500000000, 0.0003250400000000, 0.0002497300000000 ] - [ -0.0003089300000000, 0.0010147300000000, 0.0009640000000000 ] - [ 0.0005571400000000, 0.0010721500000000, -0.0001443800000000 ] - [ -0.0015411200000000, -0.0021612400000000, 0.0029840400000000 ] - [ -0.0045874300000000, 0.0017025300000000, 0.0002669300000000 ] - [ -0.0015180700000000, -0.0010444700000000, -0.0000996200000000 ] - [ -0.0011727400000000, 0.0005766200000000, -0.0008891600000000 ] - [ -0.0002995900000000, 0.0005577100000000, 0.0000577600000000 ] - [ 0.0000549100000000, 0.0006297200000000, -0.0006369900000000 ] - [ -0.0000717800000000, 0.0005003800000000, -0.0000829400000000 ] - [ 0.0055902700000000, 0.0009145400000000, -0.0008677200000000 ] - [ -0.0000307300000000, -0.0011061900000000, 0.0000889400000000 ] - [ -0.0008965700000000, 0.0023523600000000, 0.0002017000000000 ] - [ 0.0060083500000000, -0.0052486500000000, 0.0009104900000000 ] - [ -0.0017471400000000, 0.0027509500000000, 0.0037727900000000 ] - [ -0.0005146500000000, -0.0009807200000000, 0.0003552700000000 ] - [ 0.0018814600000000, 0.0000868500000000, -0.0001705200000000 ] - [ 0.0022097900000000, -0.0022213400000000, 0.0007031900000000 ] - [ 0.0003441100000000, -0.0004681300000000, -0.0000158600000000 ] - [ 0.0009585200000000, -0.0009953700000000, 0.0001504300000000 ] - [ -0.0000813800000000, -0.0008175600000000, -0.0001962400000000 ] - [ -0.0001351100000000, -0.0004059800000000, 0.0013468400000000 ] - [ 0.0004333800000000, 0.0000014200000000, 0.0000175600000000 ] - [ 0.0011580000000000, 0.0048429500000000, 0.0022159800000000 ] - [ -0.0021634300000000, 0.0012791700000000, 0.0004039600000000 ] - [ -0.0003686300000000, -0.0002694400000000, 0.0005462100000000 ] - [ 0.0002897500000000, 0.0001979000000000, 0.0010620000000000 ] - [ -0.0003076600000000, 0.0018389700000000, 0.0009318200000000 ] - [ 0.0003067300000000, 0.3424281900000000, 0.0025080100000000 ] - [ 0.0007524100000000, -0.0014955700000000, -0.0001544200000000 ] - [ -0.0000118900000000, -0.0023079700000000, -0.0001582600000000 ] - [ 0.0020094800000000, 0.0026413600000000, -0.0044462900000000 ] - [ -0.0013142800000000, 0.0047269700000000, -0.0005946500000000 ] - [ 0.0003497200000000, -0.0004282700000000, -0.0031337400000000 ] - [ -0.0013168600000000, 0.0043146800000000, -0.0020445200000000 ] - [ 0.0001124100000000, -0.0010675700000000, 0.0001189300000000 ] - [ -0.0000658100000000, -0.0022866300000000, 0.0001848800000000 ] - [ 0.0001361000000000, -0.0012163700000000, -0.0002332100000000 ] - [ -0.0005168000000000, -0.0009119900000000, -0.0030648000000000 ] - [ -0.0000180200000000, 0.0009823100000000, -0.0014161200000000 ] - [ -0.0001076600000000, 0.0010719200000000, 0.0006579300000000 ] - [ -0.0010192800000000, 0.0015069200000000, 0.0006015900000000 ] - [ -0.0009894700000000, 0.0013998300000000, 0.0001585000000000 ] - [ -0.0003294700000000, -0.0007554300000000, 0.0011305000000000 ] - [ 0.0002891000000000, -0.0007074600000000, -0.0002198200000000 ] - [ -0.0000259000000000, -0.0004974200000000, -0.0001786900000000 ] - [ 0.0000998800000000, -0.0008446800000000, 0.0004840200000000 ] - [ -0.0001704600000000, -0.0015951100000000, -0.0021954000000000 ] - [ -0.0005231700000000, -0.0010028200000000, -0.0005710900000000 ] - [ 0.0009501000000000, 0.0018551400000000, -0.0000486800000000 ] - [ 0.0000811800000000, -0.0008144600000000, 0.0000785500000000 ] - [ -0.0000842200000000, 0.0001082800000000, -0.0000482700000000 ] - [ -0.0019295600000000, -0.0026102400000000, -0.0003852100000000 ] - [ 0.0009840400000000, -0.0019096800000000, 0.0003037300000000 ] - [ -0.0000955600000000, -0.0007563100000000, 0.0002337200000000 ] - [ -0.0023711700000000, -0.0032728600000000, -0.0000914500000000 ] - [ -0.0086688800000000, -0.0082348500000000, -0.0012859900000000 ] - [ -0.0003428800000000, -0.0008574700000000, -0.0000511200000000 ] - [ -0.0002613300000000, 0.0002403600000000, -0.0007579500000000 ] - [ 0.0017194700000000, -0.0028206800000000, -0.0000148400000000 ] - [ 0.0000669600000000, -0.0010015800000000, -0.0000457800000000 ] - [ 0.0031379500000000, 0.0052377500000000, 0.0003689600000000 ] - [ 0.0005132700000000, -0.0013514400000000, -0.0000709200000000 ] - [ -0.0001421100000000, -0.0012254300000000, 0.0012756100000000 ] - [ -0.0005420100000000, -0.0007194600000000, 0.0002327600000000 ] - [ -0.0001147600000000, -0.0008366200000000, -0.0000254700000000 ] - [ 0.0000359500000000, 0.0017170400000000, -0.0001581400000000 ] - [ 0.0000289800000000, -0.0011773300000000, 0.0001403500000000 ] - [ -0.0006163000000000, -0.0014070500000000, 0.0000674300000000 ] - [ 0.0006785500000000, -0.0005298100000000, 0.0001746100000000 ] - [ -0.0000262400000000, -0.0006601400000000, 0.0022573900000000 ] - [ 0.0001184100000000, 0.0000724100000000, -0.0001853500000000 ] - [ -0.0002368900000000, 0.0004678500000000, 0.0001237400000000 ] - [ -0.0001543300000000, -0.0000974900000000, 0.0000999400000000 ] - [ -0.0011870500000000, -0.0001351600000000, -0.0011386400000000 ] - [ 0.0000747100000000, 0.0010830200000000, -0.0001416200000000 ] - [ 0.0010606900000000, 0.0001824000000000, 0.0011745100000000 ] - [ -0.0000823300000000, 0.0011294700000000, 0.0001897400000000 ] - [ 0.0017496600000000, 0.0023067700000000, -0.0009197000000000 ] - [ -0.0000405600000000, -0.0002352100000000, -0.0003613100000000 ] - [ -0.0004876300000000, -0.0008833400000000, 0.0000192400000000 ] - [ -0.0001934500000000, -0.0009961600000000, -0.0000563700000000 ] - [ 0.0001371900000000, -0.0005296200000000, -0.0002808800000000 ] - [ 0.0002157200000000, -0.0004972600000000, -0.0010733500000000 ] - [ 0.0007899400000000, 0.0009291300000000, -0.0001315100000000 ] - [ 0.0001480200000000, -0.0015346500000000, -0.0016604900000000 ] - [ -0.0001679800000000, -0.0006996100000000, 0.0000290700000000 ] - [ 0.0003790500000000, -0.0005030300000000, 0.0026294700000000 ] - [ -0.0346434500000000, -0.0443759300000000, -0.0029431200000000 ] - [ 0.0001790600000000, -0.0010841700000000, 0.0001831800000000 ] - [ 0.0004711100000000, -0.0017880500000000, 0.0031703900000000 ] - [ -0.0000491900000000, -0.0005139800000000, 0.0002861400000000 ] - [ 0.0001347800000000, 0.0007678600000000, -0.0000399300000000 ] - [ -0.0000268400000000, -0.0007289600000000, -0.0000366500000000 ] - [ -0.0000822800000000, -0.0002756700000000, 0.0001764600000000 ] - [ -0.0013632300000000, -0.0028730200000000, -0.0002234600000000 ] - [ 0.0003537600000000, -0.0007352800000000, -0.0006230100000000 ] - [ 0.0002247500000000, -0.0007358600000000, -0.0000537100000000 ] - [ 0.0000656900000000, -0.0006465300000000, 0.0000445300000000 ] - [ -0.0001623700000000, -0.0002870300000000, -0.0008041100000000 ] - [ 0.0002361300000000, -0.0016404100000000, -0.0000515700000000 ] - [ -0.0000290700000000, 0.0002766600000000, 0.0000610000000000 ] - [ 0.0005442000000000, 0.0005133100000000, -0.0001416300000000 ] - [ 0.0345729900000000, -0.0457927100000000, 0.0026980200000000 ] - [ -0.0001218700000000, 0.0020013300000000, 0.0000364200000000 ] - [ -0.0003311000000000, 0.0010006800000000, -0.0002869000000000 ] - [ -0.0003396800000000, -0.0004358900000000, 0.0001530500000000 ] - [ 0.0000298300000000, 0.0000891000000000, -0.0000107500000000 ] - [ 0.0002666600000000, -0.0006498500000000, 0.0001384600000000 ]- atom: 96 displacement: [ -0.0035230240541542, 0.0000000000000000, 0.0093588621911988 ] forces: - [ 0.0001220600000000, -0.0001142900000000, 0.0001110100000000 ] - [ -0.0002360900000000, 0.0000464000000000, -0.0001340400000000 ] - [ 0.0000199800000000, 0.0004970000000000, -0.0007366900000000 ] - [ 0.0000341100000000, -0.0002603900000000, 0.0000907700000000 ] - [ 0.0002751900000000, 0.0002729100000000, -0.0005836800000000 ] - [ 0.0009353200000000, -0.0002929000000000, 0.0002818100000000 ] - [ -0.0002357600000000, 0.0002600300000000, -0.0002028200000000 ] - [ 0.0008884900000000, -0.0007817000000000, -0.0000916400000000 ] - [ 0.0000103200000000, -0.0001210500000000, -0.0001008000000000 ] - [ -0.0010549600000000, 0.0022591200000000, -0.0014604900000000 ] - [ 0.0000177800000000, 0.0003346900000000, 0.0001535900000000 ] - [ 0.0000919700000000, -0.0002081300000000, 0.0000400700000000 ] - [ 0.0004157500000000, -0.0002361200000000, 0.0000671900000000 ] - [ 0.0000023300000000, 0.0000619000000000, -0.0000502300000000 ] - [ 0.0003156200000000, -0.0007230100000000, -0.0004584900000000 ] - [ -0.0003220200000000, 0.0000753200000000, 0.0000263800000000 ] - [ 0.0008599000000000, 0.0000377200000000, 0.0002154800000000 ] - [ -0.0007418200000000, -0.0006519800000000, -0.0007766700000000 ] - [ -0.0003736900000000, 0.0000128500000000, -0.0000988900000000 ] - [ 0.0000953100000000, 0.0002108400000000, 0.0000306900000000 ] - [ 0.0003694600000000, 0.0001511100000000, -0.0000684700000000 ] - [ -0.0014099700000000, -0.0017817100000000, -0.0015484700000000 ] - [ 0.0003274000000000, 0.0010287300000000, -0.0002232200000000 ] - [ 0.0001223000000000, 0.0001210200000000, 0.0000973200000000 ] - [ 0.0002298100000000, -0.0001879200000000, 0.0005271700000000 ] - [ 0.0000001300000000, -0.0001723600000000, 0.0002057900000000 ] - [ 0.0009601500000000, 0.0000440900000000, 0.0030332100000000 ] - [ -0.0139512300000000, 0.0000558900000000, 0.0091131400000000 ] - [ 0.0000299000000000, 0.0002220200000000, -0.0008764200000000 ] - [ -0.0022125900000000, 0.0005935700000000, -0.0007661400000000 ] - [ -0.0012870700000000, 0.0003372300000000, 0.0014001400000000 ] - [ 0.0020846300000000, 0.0001911400000000, 0.0002456800000000 ] - [ -0.0001539100000000, 0.0005836900000000, 0.0002219800000000 ] - [ -0.0002007900000000, 0.0002109200000000, -0.0012538900000000 ] - [ -0.0000411200000000, -0.0001923400000000, -0.0000900900000000 ] - [ 0.0000964800000000, -0.0001521800000000, -0.0005432500000000 ] - [ 0.0009245300000000, -0.0005875000000000, -0.0008879300000000 ] - [ 0.0000616600000000, -0.0006439700000000, 0.0000604800000000 ] - [ -0.0170084700000000, -0.0000646800000000, 0.0109930500000000 ] - [ 0.0001624900000000, 0.0000498300000000, 0.0003036000000000 ] - [ 0.0005076800000000, 0.0001020900000000, 0.0001239200000000 ] - [ 0.0002482700000000, 0.0001304200000000, 0.0002180100000000 ] - [ -0.0001265800000000, -0.0001516700000000, -0.0011945200000000 ] - [ -0.0001640900000000, 0.0000142700000000, -0.0000635600000000 ] - [ 0.0010104300000000, -0.0007906200000000, 0.0025169400000000 ] - [ 0.0009382700000000, 0.0012681600000000, -0.0012738800000000 ] - [ 0.0000134800000000, 0.0002598100000000, -0.0000877400000000 ] - [ 0.0005003900000000, -0.0000594800000000, -0.0028691400000000 ] - [ -0.0001525100000000, -0.0002474200000000, -0.0000345400000000 ] - [ -0.0000755900000000, 0.0002259900000000, 0.0001038400000000 ] - [ -0.0001998500000000, -0.0000669800000000, -0.0004060700000000 ] - [ 0.0007867400000000, -0.0015996700000000, -0.0050829600000000 ] - [ 0.0039114600000000, 0.0007276200000000, -0.0006565400000000 ] - [ -0.0001416900000000, 0.0002997500000000, 0.0001420400000000 ] - [ 0.0002097300000000, -0.0003704800000000, -0.0002167600000000 ] - [ 0.0001683400000000, -0.0004036700000000, -0.0002141900000000 ] - [ 0.0001049700000000, 0.0003918900000000, -0.0003360000000000 ] - [ 0.0001576000000000, -0.0002976600000000, -0.0001522200000000 ] - [ -0.0229705900000000, 0.0000497000000000, 0.0501216500000000 ] - [ -0.0001334200000000, 0.0001129700000000, 0.0000989500000000 ] - [ -0.0006046700000000, 0.0001487300000000, -0.0003181800000000 ] - [ -0.0004087100000000, -0.0003838000000000, 0.0002745200000000 ] - [ -0.0000076200000000, 0.0003205600000000, 0.0001008500000000 ] - [ -0.0000653500000000, -0.0005098700000000, -0.0000466900000000 ] - [ -0.0001558300000000, -0.0000805900000000, -0.0002898000000000 ] - [ 0.0002227500000000, -0.0001156700000000, -0.0000059300000000 ] - [ -0.0000697900000000, 0.0004449200000000, -0.0011083400000000 ] - [ 0.0002746500000000, 0.0003423000000000, -0.0001702700000000 ] - [ -0.0000521400000000, 0.0001932000000000, 0.0000780700000000 ] - [ 0.0001437500000000, 0.0001586400000000, -0.0000419100000000 ] - [ 0.0007987000000000, 0.0024713900000000, -0.0049660600000000 ] - [ -0.0006749700000000, -0.0011895200000000, 0.0001770100000000 ] - [ -0.0003906800000000, -0.0001317400000000, -0.0010567300000000 ] - [ -0.0007168500000000, 0.0004886400000000, 0.0004079300000000 ] - [ 0.0002044000000000, -0.0000169400000000, -0.0003650400000000 ] - [ -0.0000204500000000, 0.0001345800000000, -0.0000537400000000 ] - [ 0.0000068200000000, -0.0001902800000000, -0.0001206600000000 ] - [ -0.0006519600000000, 0.0012258000000000, -0.0001408100000000 ] - [ -0.0000653300000000, -0.0001959100000000, -0.0000307300000000 ] - [ -0.0003386200000000, -0.0003151900000000, -0.0000487100000000 ] - [ 0.0016065800000000, 0.0017070800000000, -0.0016600900000000 ] - [ -0.0052138600000000, -0.0000318800000000, 0.0061359000000000 ] - [ -0.0002949100000000, -0.0001211800000000, 0.0002148500000000 ] - [ -0.0021573400000000, 0.0042418600000000, -0.0006694200000000 ] - [ -0.0004294600000000, 0.0005255300000000, 0.0002105500000000 ] - [ 0.0002458300000000, 0.0000245000000000, 0.0001534000000000 ] - [ 0.0006927000000000, -0.0002872200000000, -0.0003027200000000 ] - [ -0.0003124700000000, 0.0000570300000000, -0.0001281200000000 ] - [ -0.0001426500000000, -0.0006134200000000, 0.0006395600000000 ] - [ 0.0001450700000000, -0.0003742100000000, 0.0005853500000000 ] - [ 0.0048228600000000, -0.0002168700000000, 0.0007084600000000 ] - [ -0.0017561000000000, -0.0030498400000000, -0.0004390000000000 ] - [ -0.0002417100000000, 0.0002615600000000, 0.0004530700000000 ] - [ 0.0002029100000000, -0.0001729300000000, 0.0003106900000000 ] - [ -0.0011573700000000, -0.0007603200000000, 0.0001345300000000 ] - [ 0.0637102500000000, -0.0019807400000000, -0.0350623500000000 ] - [ 0.0001109500000000, 0.0005793400000000, 0.0001239600000000 ] - [ -0.0000206500000000, -0.0005640400000000, -0.0002393500000000 ] - [ -0.0058537100000000, 0.0006101200000000, 0.0063638800000000 ] - [ -0.0040747700000000, 0.0026648200000000, -0.0006927200000000 ] - [ 0.0002196400000000, 0.0000263800000000, -0.0004657200000000 ] - [ 0.0042750100000000, 0.0001973800000000, -0.0008901900000000 ] - [ 0.0002994000000000, 0.0000020500000000, 0.0002369300000000 ] - [ -0.0000474300000000, -0.0005812700000000, 0.0001731700000000 ] - [ 0.0001242500000000, -0.0005567500000000, -0.0001562200000000 ] - [ 0.0002899600000000, -0.0002301200000000, -0.0008796600000000 ] - [ -0.0001588800000000, -0.0002777800000000, 0.0030434100000000 ] - [ 0.0001590200000000, 0.0003069700000000, 0.0023502100000000 ] - [ -0.0014373900000000, 0.0012991100000000, 0.0019633900000000 ] - [ 0.0003491100000000, 0.0001497800000000, 0.0010063100000000 ] - [ -0.0005419400000000, -0.0005930200000000, 0.0002614600000000 ] - [ 0.0001820700000000, 0.0001007700000000, 0.0000802400000000 ] - [ 0.0001653600000000, 0.0002591100000000, -0.0002859600000000 ] - [ 0.0000254300000000, 0.0000583800000000, 0.0003655400000000 ] - [ 0.0001346600000000, -0.0001343000000000, 0.0003701500000000 ] - [ 0.0005768600000000, 0.0002293400000000, -0.0003371900000000 ] - [ 0.0009812400000000, 0.0008278900000000, 0.0005555800000000 ] - [ 0.0001581800000000, 0.0000644600000000, 0.0001944300000000 ] - [ -0.0001491000000000, -0.0003047800000000, 0.0001099700000000 ] - [ -0.0002213900000000, -0.0006691700000000, -0.0000059800000000 ] - [ 0.0000869200000000, 0.0004596800000000, 0.0000263700000000 ] - [ -0.0001595900000000, -0.0001359400000000, 0.0002348800000000 ] - [ -0.0001789200000000, -0.0011820100000000, -0.0001822800000000 ] - [ 0.0015980400000000, -0.0016777600000000, -0.0024057700000000 ] - [ -0.0001614800000000, -0.0004217200000000, 0.0000820200000000 ] - [ -0.0002335900000000, 0.0001454900000000, -0.0000586800000000 ] - [ -0.0001329700000000, 0.0010540000000000, -0.0004722000000000 ] - [ -0.0001039600000000, 0.0000811500000000, -0.0001886000000000 ] - [ -0.0033176200000000, -0.0021547700000000, -0.0005907600000000 ] - [ 0.0006047000000000, 0.0003058200000000, -0.0001518900000000 ] - [ 0.0000116100000000, -0.0006191000000000, -0.0003346400000000 ] - [ -0.0001267200000000, -0.0000166700000000, 0.0001324700000000 ] - [ -0.0001076000000000, -0.0001839200000000, -0.0000274400000000 ] - [ 0.0000110300000000, 0.0006505800000000, 0.0001722900000000 ] - [ -0.0005192500000000, 0.0000938200000000, -0.0000980800000000 ] - [ 0.0000436800000000, 0.0003637100000000, -0.0001695700000000 ] - [ 0.0005252700000000, -0.0001117100000000, 0.0001854500000000 ] - [ 0.0003111200000000, -0.0000416900000000, -0.0001388500000000 ] - [ 0.0000181400000000, 0.0005576800000000, 0.0000360600000000 ] - [ -0.0005228700000000, 0.0000077300000000, 0.0001002600000000 ] - [ -0.0001565100000000, -0.0006222500000000, 0.0004035000000000 ] - [ -0.0005139800000000, -0.0000522000000000, -0.0003109000000000 ] - [ -0.0001028900000000, 0.0002254700000000, 0.0001504600000000 ] - [ -0.0008047000000000, 0.0000804400000000, -0.0000776200000000 ] - [ -0.0000548900000000, 0.0005691200000000, 0.0002184200000000 ] - [ -0.0017975700000000, -0.0018197100000000, 0.0015089100000000 ] - [ -0.0002089500000000, 0.0000102500000000, 0.0001315100000000 ] - [ -0.0005021900000000, -0.0002889400000000, 0.0001335000000000 ] - [ -0.0002361200000000, -0.0003853500000000, -0.0000018800000000 ] - [ -0.0000115100000000, 0.0000429100000000, 0.0003526500000000 ] - [ -0.0002439700000000, 0.0002023100000000, -0.0002586800000000 ] - [ 0.0005445600000000, 0.0000763800000000, 0.0005812300000000 ] - [ 0.0005600100000000, 0.0005010200000000, -0.0006214400000000 ] - [ 0.0001618100000000, 0.0004346600000000, -0.0000123000000000 ] - [ 0.0000812200000000, 0.0000380500000000, -0.0006946400000000 ] - [ -0.0017590400000000, -0.0143833300000000, -0.0163064400000000 ] - [ 0.0001234600000000, -0.0003757300000000, 0.0001419100000000 ] - [ 0.0006059600000000, -0.0001208400000000, 0.0001757500000000 ] - [ 0.0000533900000000, -0.0003562700000000, -0.0003669200000000 ] - [ 0.0002032200000000, -0.0000589100000000, 0.0003719600000000 ] - [ 0.0000708700000000, -0.0000030900000000, -0.0004236300000000 ] - [ -0.0000704300000000, 0.0005714200000000, 0.0002056300000000 ] - [ 0.0000046000000000, 0.0001435200000000, -0.0001083900000000 ] - [ 0.0002034000000000, 0.0000307700000000, -0.0002193900000000 ] - [ -0.0002517000000000, 0.0000171800000000, 0.0001528700000000 ] - [ -0.0001163800000000, 0.0000733300000000, 0.0002220300000000 ] - [ 0.0000075500000000, 0.0004454000000000, 0.0007775700000000 ] - [ 0.0002284300000000, 0.0000500100000000, -0.0002666600000000 ] - [ -0.0000177400000000, -0.0002429000000000, 0.0005336600000000 ] - [ 0.0005702500000000, -0.0003017200000000, 0.0004196700000000 ] - [ -0.0016380700000000, 0.0143975600000000, -0.0171511500000000 ] - [ 0.0003757200000000, -0.0008945700000000, 0.0001025800000000 ] - [ -0.0002462700000000, -0.0000582100000000, 0.0003344500000000 ] - [ -0.0003871700000000, -0.0001316400000000, -0.0000774600000000 ] - [ 0.0000286300000000, -0.0004760100000000, 0.0003019500000000 ] - [ 0.0001401700000000, -0.0000662200000000, -0.0002823600000000 ]- atom: 96 displacement: [ 0.0035230240541542, 0.0000000000000000, -0.0093588621911988 ] forces: - [ 0.0000684800000000, -0.0001006500000000, 0.0000768000000000 ] - [ 0.0001063100000000, 0.0003998700000000, 0.0000814000000000 ] - [ 0.0006012500000000, -0.0005149800000000, 0.0005972800000000 ] - [ 0.0000590200000000, -0.0004055800000000, 0.0001839300000000 ] - [ -0.0003642900000000, -0.0009356200000000, 0.0003040500000000 ] - [ -0.0011279700000000, 0.0000730400000000, -0.0004723100000000 ] - [ 0.0000449100000000, -0.0000411300000000, 0.0000151300000000 ] - [ -0.0000247900000000, 0.0011133400000000, 0.0003248100000000 ] - [ 0.0000488700000000, 0.0000129900000000, -0.0000140300000000 ] - [ 0.0009906800000000, -0.0021654900000000, 0.0016184000000000 ] - [ 0.0000740800000000, 0.0003361400000000, 0.0001255300000000 ] - [ 0.0000399900000000, -0.0002331800000000, 0.0000119200000000 ] - [ 0.0004546700000000, -0.0001004600000000, 0.0001531500000000 ] - [ 0.0000576900000000, 0.0000513700000000, -0.0000689600000000 ] - [ -0.0003787400000000, 0.0006184700000000, 0.0005779000000000 ] - [ -0.0002955800000000, -0.0000822900000000, 0.0001164300000000 ] - [ -0.0009878500000000, -0.0004837300000000, -0.0002665100000000 ] - [ -0.0001318000000000, 0.0003051700000000, 0.0005534300000000 ] - [ -0.0004970100000000, 0.0003292400000000, -0.0001224200000000 ] - [ 0.0000374900000000, 0.0002341200000000, 0.0000252600000000 ] - [ 0.0002491000000000, -0.0001388800000000, -0.0000749200000000 ] - [ 0.0013236700000000, 0.0024254500000000, 0.0012156300000000 ] - [ -0.0009387200000000, -0.0010284400000000, 0.0003524000000000 ] - [ 0.0000671000000000, 0.0000970600000000, 0.0000873000000000 ] - [ 0.0002789200000000, -0.0001252100000000, 0.0003791600000000 ] - [ 0.0000849100000000, -0.0002924100000000, 0.0000742400000000 ] - [ -0.0013889700000000, -0.0010829500000000, -0.0024145000000000 ] - [ 0.0135393600000000, -0.0004551200000000, -0.0098779200000000 ] - [ -0.0001137200000000, 0.0002614700000000, 0.0005994400000000 ] - [ 0.0023967900000000, -0.0002036500000000, -0.0000828200000000 ] - [ 0.0011057900000000, -0.0000102200000000, -0.0005446000000000 ] - [ -0.0019703500000000, 0.0001847500000000, -0.0001706200000000 ] - [ -0.0002362200000000, 0.0004485700000000, 0.0004462400000000 ] - [ -0.0003101900000000, 0.0001195600000000, 0.0003466300000000 ] - [ -0.0000714000000000, -0.0001744400000000, 0.0000139100000000 ] - [ 0.0000856800000000, -0.0001619100000000, -0.0003140100000000 ] - [ -0.0005421400000000, 0.0007609100000000, 0.0007899500000000 ] - [ 0.0003268800000000, -0.0003738400000000, -0.0007266300000000 ] - [ 0.0167184200000000, -0.0004919900000000, -0.0114257000000000 ] - [ 0.0002140500000000, -0.0002271000000000, -0.0004070600000000 ] - [ -0.0006195500000000, 0.0002719800000000, -0.0001994000000000 ] - [ 0.0002615700000000, 0.0001914400000000, 0.0006837700000000 ] - [ 0.0002401200000000, -0.0002245300000000, 0.0012725700000000 ] - [ -0.0002109500000000, 0.0001789200000000, 0.0001645000000000 ] - [ -0.0013469100000000, 0.0005970800000000, -0.0023726100000000 ] - [ -0.0005552500000000, -0.0002574000000000, 0.0006050700000000 ] - [ 0.0000701500000000, 0.0002150900000000, 0.0003730400000000 ] - [ -0.0006819700000000, -0.0002657800000000, 0.0037270200000000 ] - [ -0.0001790600000000, -0.0002281600000000, -0.0000137800000000 ] - [ 0.0001391900000000, 0.0001606600000000, 0.0000590300000000 ] - [ 0.0006321800000000, 0.0001457700000000, -0.0003099200000000 ] - [ -0.0004856100000000, 0.0014403700000000, 0.0055893100000000 ] - [ -0.0034953800000000, -0.0000593300000000, 0.0004263300000000 ] - [ -0.0002716800000000, 0.0003791000000000, 0.0000852100000000 ] - [ 0.0001174600000000, -0.0001105000000000, 0.0002641600000000 ] - [ 0.0001204700000000, -0.0003629100000000, -0.0002445200000000 ] - [ -0.0000732200000000, 0.0002103600000000, 0.0001221600000000 ] - [ 0.0002562300000000, -0.0003717600000000, -0.0000782700000000 ] - [ 0.0228824200000000, -0.0011155000000000, -0.0503001900000000 ] - [ 0.0001085100000000, -0.0007052300000000, 0.0001144800000000 ] - [ 0.0003124000000000, -0.0000040800000000, -0.0002096700000000 ] - [ 0.0007065800000000, 0.0005325700000000, 0.0002679100000000 ] - [ -0.0000209400000000, 0.0002861300000000, 0.0001135400000000 ] - [ -0.0003479400000000, -0.0001688400000000, 0.0002743800000000 ] - [ -0.0001347200000000, -0.0000603800000000, -0.0002574400000000 ] - [ 0.0000331500000000, -0.0001465600000000, -0.0001400700000000 ] - [ -0.0001805400000000, -0.0001926100000000, 0.0012482300000000 ] - [ 0.0000182100000000, 0.0004255700000000, -0.0002838300000000 ] - [ -0.0002409100000000, 0.0005789100000000, 0.0003815000000000 ] - [ 0.0001143100000000, 0.0001065700000000, -0.0000965000000000 ] - [ -0.0012474800000000, -0.0025746800000000, 0.0057005300000000 ] - [ 0.0010033200000000, 0.0016730600000000, -0.0001311500000000 ] - [ 0.0000974700000000, -0.0006443100000000, 0.0015208900000000 ] - [ 0.0002758600000000, -0.0004057500000000, 0.0002915100000000 ] - [ 0.0002307000000000, -0.0000590600000000, -0.0003321600000000 ] - [ -0.0002336300000000, -0.0003924100000000, 0.0001924800000000 ] - [ -0.0000708200000000, -0.0001841900000000, -0.0000424700000000 ] - [ 0.0006782900000000, -0.0018227500000000, -0.0000718200000000 ] - [ 0.0001286600000000, -0.0001921200000000, 0.0001934500000000 ] - [ 0.0000039800000000, 0.0008044400000000, 0.0000018600000000 ] - [ -0.0010800200000000, -0.0009194400000000, 0.0017187500000000 ] - [ 0.0050043800000000, 0.0000126400000000, -0.0052354900000000 ] - [ -0.0002734000000000, -0.0000787000000000, 0.0002466000000000 ] - [ 0.0018684400000000, -0.0034904300000000, 0.0004165500000000 ] - [ 0.0005207100000000, -0.0006127500000000, 0.0004562600000000 ] - [ 0.0002223900000000, 0.0000447500000000, 0.0000363800000000 ] - [ -0.0002290900000000, 0.0001969700000000, 0.0000564500000000 ] - [ -0.0002304400000000, 0.0000214900000000, -0.0000769700000000 ] - [ -0.0002392300000000, 0.0005293600000000, -0.0002572000000000 ] - [ 0.0003816200000000, -0.0004130800000000, -0.0005251000000000 ] - [ -0.0045402400000000, 0.0003702600000000, -0.0004149900000000 ] - [ 0.0014990600000000, 0.0041135800000000, 0.0007956900000000 ] - [ -0.0002408300000000, 0.0002397000000000, 0.0003873700000000 ] - [ 0.0003746000000000, 0.0001469400000000, 0.0002845300000000 ] - [ 0.0010045800000000, -0.0004253600000000, 0.0002003200000000 ] - [ -0.0634016100000000, 0.0028968700000000, 0.0347685200000000 ] - [ 0.0001861600000000, 0.0001655200000000, 0.0001183400000000 ] - [ 0.0001715300000000, -0.0006303200000000, -0.0000958800000000 ] - [ 0.0055557400000000, -0.0005448900000000, -0.0060379500000000 ] - [ 0.0036740400000000, -0.0017792900000000, 0.0006448500000000 ] - [ -0.0000846600000000, -0.0000093800000000, -0.0004032400000000 ] - [ -0.0048821500000000, -0.0001548100000000, 0.0002988800000000 ] - [ 0.0002768200000000, 0.0000226000000000, 0.0003505400000000 ] - [ -0.0001775100000000, -0.0005320400000000, 0.0001936600000000 ] - [ 0.0001261700000000, -0.0005156500000000, -0.0001942200000000 ] - [ -0.0005546400000000, 0.0003426900000000, 0.0010676200000000 ] - [ -0.0003062500000000, 0.0003527500000000, -0.0032497600000000 ] - [ 0.0003216400000000, 0.0001980700000000, -0.0031763900000000 ] - [ 0.0016873700000000, -0.0013954800000000, -0.0021567500000000 ] - [ -0.0006832700000000, 0.0004051300000000, -0.0004168500000000 ] - [ 0.0002117600000000, 0.0000399700000000, 0.0003296000000000 ] - [ 0.0003660700000000, -0.0001873600000000, 0.0001256700000000 ] - [ 0.0001620000000000, 0.0002868700000000, -0.0003043400000000 ] - [ 0.0000543200000000, 0.0000148000000000, 0.0002980100000000 ] - [ -0.0006164100000000, -0.0003745600000000, 0.0004534500000000 ] - [ -0.0003176600000000, -0.0001209700000000, 0.0001345500000000 ] - [ -0.0004344800000000, -0.0007350500000000, -0.0003541500000000 ] - [ 0.0001583500000000, 0.0000319400000000, 0.0001384700000000 ] - [ -0.0001445500000000, -0.0004484700000000, -0.0003535800000000 ] - [ 0.0005270500000000, 0.0005535400000000, 0.0003353600000000 ] - [ -0.0006039100000000, 0.0003157500000000, -0.0000846000000000 ] - [ -0.0001294600000000, -0.0000899500000000, 0.0000994700000000 ] - [ -0.0001380400000000, 0.0010779900000000, -0.0001521700000000 ] - [ -0.0013923500000000, 0.0020087900000000, 0.0025276200000000 ] - [ -0.0002437700000000, -0.0004570100000000, -0.0001335000000000 ] - [ -0.0000168000000000, -0.0002787500000000, -0.0002394800000000 ] - [ 0.0000540800000000, -0.0011322800000000, -0.0001895900000000 ] - [ -0.0001433800000000, 0.0000515300000000, -0.0001030500000000 ] - [ 0.0042603200000000, 0.0023146800000000, 0.0007164700000000 ] - [ 0.0003324500000000, 0.0002547900000000, 0.0000238300000000 ] - [ -0.0004784900000000, 0.0005417200000000, 0.0001418200000000 ] - [ -0.0001387500000000, -0.0000993600000000, 0.0000726000000000 ] - [ -0.0000925700000000, -0.0001456200000000, -0.0000934000000000 ] - [ 0.0001397800000000, 0.0005441000000000, -0.0005086600000000 ] - [ -0.0004293400000000, 0.0000533800000000, -0.0000279000000000 ] - [ 0.0002039900000000, 0.0006979500000000, -0.0001795800000000 ] - [ 0.0004282200000000, -0.0000443100000000, -0.0000582600000000 ] - [ 0.0000714700000000, -0.0000367000000000, -0.0002299300000000 ] - [ 0.0002071900000000, 0.0005456100000000, -0.0004031700000000 ] - [ -0.0004258400000000, -0.0001551000000000, -0.0002262900000000 ] - [ -0.0000956900000000, -0.0004496500000000, -0.0000539500000000 ] - [ -0.0000370800000000, -0.0000304500000000, 0.0000974700000000 ] - [ 0.0000252600000000, -0.0001449400000000, -0.0008128300000000 ] - [ 0.0002439900000000, 0.0001181000000000, 0.0005463900000000 ] - [ -0.0001699100000000, 0.0005420700000000, 0.0001483200000000 ] - [ 0.0022742000000000, 0.0019274600000000, -0.0017618300000000 ] - [ -0.0000241000000000, -0.0001607600000000, 0.0002978900000000 ] - [ -0.0004351900000000, -0.0002806100000000, -0.0000062800000000 ] - [ -0.0002865300000000, -0.0004030400000000, -0.0000590000000000 ] - [ 0.0002604200000000, -0.0001829600000000, -0.0000606100000000 ] - [ 0.0004782800000000, -0.0003543900000000, -0.0001752300000000 ] - [ -0.0003068900000000, 0.0000786000000000, -0.0010179200000000 ] - [ -0.0000778800000000, -0.0010106900000000, -0.0002168000000000 ] - [ 0.0002414400000000, 0.0004368200000000, 0.0000626900000000 ] - [ -0.0005385000000000, -0.0001214600000000, 0.0009516800000000 ] - [ 0.0013561500000000, 0.0144034300000000, 0.0167351800000000 ] - [ 0.0001709400000000, -0.0003796300000000, 0.0001015400000000 ] - [ -0.0001346300000000, 0.0000421900000000, 0.0000361100000000 ] - [ 0.0002738000000000, -0.0001924200000000, -0.0002180500000000 ] - [ 0.0000872800000000, -0.0001553600000000, -0.0007058200000000 ] - [ 0.0000624000000000, -0.0000176900000000, -0.0004278800000000 ] - [ -0.0000797800000000, 0.0006130300000000, 0.0001304600000000 ] - [ -0.0002116200000000, 0.0001683100000000, -0.0000138500000000 ] - [ 0.0001805500000000, 0.0000426200000000, -0.0001655000000000 ] - [ -0.0002045400000000, 0.0000643700000000, 0.0000896500000000 ] - [ -0.0001161700000000, 0.0000752200000000, 0.0002130600000000 ] - [ -0.0001416800000000, -0.0004325500000000, 0.0000737200000000 ] - [ 0.0000619900000000, 0.0001662200000000, -0.0000672000000000 ] - [ 0.0002163700000000, -0.0000862500000000, -0.0004132200000000 ] - [ 0.0003670600000000, -0.0002573700000000, -0.0005478300000000 ] - [ 0.0008201000000000, -0.0140299900000000, 0.0171837000000000 ] - [ 0.0001904000000000, 0.0007095900000000, -0.0005615800000000 ] - [ -0.0000726900000000, 0.0001613100000000, -0.0006692500000000 ] - [ -0.0001911600000000, 0.0000995500000000, -0.0005139500000000 ] - [ 0.0003751400000000, -0.0003956800000000, -0.0002515900000000 ] - [ 0.0004261100000000, 0.0002599300000000, -0.0001799100000000 ]- atom: 100 displacement: [ 0.0099999639143206, 0.0000000000000000, -0.0000268647033593 ] forces: - [ 0.0002328400000000, 0.0003676400000000, 0.0001532800000000 ] - [ 0.0001097800000000, 0.0006687900000000, 0.0002377300000000 ] - [ -0.0005295400000000, -0.0001437800000000, 0.0008630700000000 ] - [ -0.0002397200000000, -0.0002398200000000, -0.0000232500000000 ] - [ 0.0001226400000000, 0.0000954200000000, -0.0004871800000000 ] - [ 0.0038317300000000, -0.0010333000000000, -0.0006476700000000 ] - [ -0.0001353600000000, -0.0000678500000000, 0.0000723400000000 ] - [ 0.0028646800000000, -0.0019332800000000, -0.0015305400000000 ] - [ 0.0002549500000000, -0.0000259800000000, 0.0000117000000000 ] - [ -0.0013760400000000, 0.0001485800000000, -0.0003494000000000 ] - [ -0.0000709600000000, 0.0004574400000000, 0.0001679100000000 ] - [ 0.0001798700000000, 0.0001023000000000, -0.0001572200000000 ] - [ 0.0004102000000000, -0.0000448900000000, 0.0001736100000000 ] - [ -0.0000805800000000, -0.0001004600000000, -0.0001349300000000 ] - [ -0.0002830000000000, -0.0003225300000000, -0.0001438100000000 ] - [ -0.0003341500000000, 0.0001128000000000, 0.0000836600000000 ] - [ 0.0031428300000000, -0.0023241600000000, 0.0015823700000000 ] - [ -0.0010563600000000, -0.0003760500000000, 0.0001474900000000 ] - [ -0.0005050700000000, 0.0001986600000000, -0.0001765100000000 ] - [ -0.0001368800000000, 0.0005198900000000, 0.0004804900000000 ] - [ 0.0004160100000000, 0.0002808800000000, -0.0002293900000000 ] - [ -0.0017091500000000, 0.0009113100000000, 0.0003783500000000 ] - [ -0.0021585700000000, 0.0014511900000000, -0.0018960400000000 ] - [ 0.0004614100000000, -0.0002556400000000, 0.0004310500000000 ] - [ 0.0005560700000000, 0.0002311700000000, 0.0002373200000000 ] - [ -0.0004882900000000, 0.0008488600000000, -0.0000880600000000 ] - [ 0.0075023700000000, -0.0063511700000000, 0.0006076000000000 ] - [ -0.0166840000000000, -0.0088967000000000, -0.0020952000000000 ] - [ -0.0000917000000000, 0.0004435700000000, 0.0001498200000000 ] - [ -0.0034503700000000, -0.0025495000000000, -0.0021777700000000 ] - [ -0.0022855800000000, 0.0020158000000000, -0.0001545000000000 ] - [ 0.0031528200000000, 0.0000508000000000, -0.0002310200000000 ] - [ -0.0001329000000000, 0.0008247700000000, 0.0004632500000000 ] - [ -0.0002525900000000, 0.0003312200000000, -0.0006159100000000 ] - [ -0.0000162800000000, 0.0000153200000000, 0.0002607500000000 ] - [ 0.0000676900000000, 0.0000798800000000, -0.0003696000000000 ] - [ 0.0023136200000000, -0.0009184100000000, 0.0025833600000000 ] - [ 0.0000085100000000, -0.0004517400000000, -0.0001639700000000 ] - [ 0.0144914800000000, -0.0043928100000000, 0.0019200500000000 ] - [ 0.0005736400000000, 0.0009955900000000, 0.0002951200000000 ] - [ 0.0036596800000000, 0.0102659100000000, -0.0038932800000000 ] - [ 0.0002012000000000, 0.0001821400000000, 0.0020741100000000 ] - [ 0.0004544100000000, -0.0004289000000000, 0.0032636800000000 ] - [ -0.0000812500000000, 0.0003466600000000, 0.0000948300000000 ] - [ -0.0114887200000000, 0.0051772700000000, 0.0084520400000000 ] - [ 0.0030063000000000, 0.0000182800000000, -0.0007029100000000 ] - [ 0.0000337300000000, 0.0001781900000000, 0.0002346000000000 ] - [ 0.0001661000000000, -0.0004274900000000, -0.0010007600000000 ] - [ -0.0001865600000000, -0.0001008300000000, 0.0000174000000000 ] - [ -0.0002210000000000, 0.0006560600000000, 0.0000598100000000 ] - [ -0.0031835000000000, -0.0024217100000000, -0.0001366500000000 ] - [ 0.0013700700000000, -0.0020636200000000, -0.0060178600000000 ] - [ 0.1852998300000000, -0.0528130500000000, -0.0451527300000000 ] - [ 0.0000349000000000, 0.0007336000000000, -0.0000839400000000 ] - [ 0.0002685800000000, -0.0002266300000000, -0.0000819300000000 ] - [ 0.0001788500000000, -0.0003287000000000, -0.0001980700000000 ] - [ 0.0000596700000000, 0.0001267500000000, 0.0000302800000000 ] - [ 0.0002152300000000, -0.0001663000000000, -0.0001139800000000 ] - [ -0.0088064500000000, 0.0002335800000000, -0.0009147500000000 ] - [ -0.0010596600000000, 0.0023060300000000, 0.0000902600000000 ] - [ -0.0018525200000000, 0.0009938500000000, -0.0000628300000000 ] - [ -0.0000158800000000, 0.0001432800000000, 0.0005090300000000 ] - [ 0.0000078500000000, 0.0004544400000000, 0.0000931400000000 ] - [ -0.0003312800000000, -0.0003860200000000, 0.0006302800000000 ] - [ -0.0001409300000000, 0.0000128500000000, -0.0005311300000000 ] - [ 0.0002282700000000, -0.0010326600000000, -0.0008898700000000 ] - [ 0.0034623900000000, 0.0005393700000000, 0.0086207300000000 ] - [ 0.0022071200000000, 0.0013034000000000, 0.0018822200000000 ] - [ 0.0001149600000000, 0.0001388900000000, -0.0000058100000000 ] - [ 0.0002236200000000, 0.0003534400000000, 0.0000078400000000 ] - [ -0.0011213600000000, 0.0001922900000000, -0.0022416100000000 ] - [ -0.0010834300000000, -0.0013584000000000, 0.0002363100000000 ] - [ -0.0006400500000000, -0.0025229300000000, 0.0031203800000000 ] - [ -0.0008477100000000, 0.0002191900000000, 0.0000426500000000 ] - [ 0.0001793700000000, 0.0000829100000000, -0.0002674000000000 ] - [ -0.0000113700000000, 0.0000365000000000, 0.0001693900000000 ] - [ -0.0000672100000000, -0.0000006000000000, -0.0000846400000000 ] - [ 0.0021362200000000, 0.0027324100000000, -0.0003493200000000 ] - [ -0.0000773400000000, -0.0004548600000000, -0.0000043200000000 ] - [ 0.0000246100000000, -0.0016550100000000, -0.0002751800000000 ] - [ 0.0019543200000000, 0.0021118300000000, -0.0001166300000000 ] - [ 0.0001987600000000, -0.0012878800000000, 0.0107629700000000 ] - [ -0.0003853300000000, -0.0002877000000000, 0.0001458700000000 ] - [ 0.0002682500000000, 0.0037427100000000, -0.0002406100000000 ] - [ -0.0025343400000000, 0.0036134700000000, 0.0024711100000000 ] - [ 0.0002543000000000, -0.0000648400000000, 0.0000418900000000 ] - [ 0.0007451100000000, -0.0002527800000000, -0.0001856100000000 ] - [ -0.0003906800000000, -0.0001319500000000, -0.0001464800000000 ] - [ -0.0000071500000000, -0.0001206900000000, 0.0003880100000000 ] - [ 0.0001865600000000, -0.0004576500000000, 0.0003538600000000 ] - [ 0.0030484100000000, 0.0015418700000000, -0.0028974300000000 ] - [ -0.0043860700000000, -0.0033451700000000, 0.0000330100000000 ] - [ -0.0001559100000000, 0.0002239500000000, 0.0004770100000000 ] - [ 0.0004091200000000, 0.0003118100000000, 0.0009070400000000 ] - [ 0.0155605700000000, -0.0372366900000000, -0.0180164100000000 ] - [ 0.0104642700000000, 0.0005693700000000, -0.0004391400000000 ] - [ -0.0016702000000000, 0.0004121300000000, 0.0005434800000000 ] - [ -0.0002198300000000, -0.0009919400000000, -0.0001194200000000 ] - [ 0.0017789300000000, 0.0007889100000000, 0.0034916400000000 ] - [ -0.3089790100000000, 0.0943758600000000, 0.0819043900000000 ] - [ 0.0004696200000000, -0.0001983500000000, -0.0008347100000000 ] - [ 0.0066476400000000, -0.0024113500000000, -0.0150935600000000 ] - [ 0.0003303100000000, -0.0002312300000000, 0.0001744800000000 ] - [ 0.0001167900000000, -0.0009259700000000, 0.0002357900000000 ] - [ 0.0000893700000000, -0.0006332200000000, -0.0002963500000000 ] - [ 0.0031960200000000, -0.0015258500000000, -0.0006968800000000 ] - [ 0.0008861700000000, 0.0000715700000000, 0.0013865100000000 ] - [ 0.0008657600000000, 0.0005567900000000, 0.0023226300000000 ] - [ -0.0023887200000000, 0.0013916900000000, 0.0016471200000000 ] - [ -0.0006184100000000, -0.0017727800000000, -0.0041284700000000 ] - [ -0.0007560500000000, -0.0000986100000000, 0.0005331100000000 ] - [ -0.0000754600000000, -0.0000636800000000, 0.0000636300000000 ] - [ 0.0001735700000000, 0.0000395600000000, -0.0004043200000000 ] - [ 0.0000421100000000, -0.0000775500000000, 0.0003026800000000 ] - [ 0.0009088900000000, -0.0001055000000000, 0.0011480800000000 ] - [ 0.0002258100000000, -0.0003176400000000, -0.0003030100000000 ] - [ 0.0002342900000000, 0.0010561400000000, -0.0029647100000000 ] - [ 0.0001399100000000, -0.0000875300000000, 0.0001282600000000 ] - [ -0.0003035000000000, -0.0004308700000000, -0.0004047100000000 ] - [ 0.0029231100000000, -0.0035862900000000, 0.0008225800000000 ] - [ -0.0004080500000000, 0.0009031900000000, 0.0002050700000000 ] - [ -0.0001066700000000, -0.0002749000000000, 0.0001795900000000 ] - [ -0.0013176300000000, -0.0026762600000000, -0.0000984600000000 ] - [ 0.0011478500000000, -0.0073630500000000, -0.0013396300000000 ] - [ -0.0002468800000000, -0.0005640900000000, -0.0001357900000000 ] - [ -0.0013522100000000, 0.0000440900000000, -0.0016588300000000 ] - [ -0.0002447100000000, 0.0011726500000000, -0.0004038700000000 ] - [ -0.0001429500000000, -0.0001283900000000, -0.0000860500000000 ] - [ 0.0668148900000000, 0.0064390500000000, -0.0137725300000000 ] - [ 0.0008418300000000, -0.0001348600000000, 0.0000151100000000 ] - [ 0.0002016600000000, -0.0003538300000000, 0.0004697400000000 ] - [ -0.0001891600000000, -0.0001718600000000, 0.0001842000000000 ] - [ -0.0001025900000000, -0.0002779200000000, -0.0000565500000000 ] - [ 0.0002246400000000, 0.0008459700000000, -0.0011356800000000 ] - [ -0.0005876700000000, -0.0002090400000000, 0.0000468400000000 ] - [ 0.0009593900000000, -0.0011272600000000, -0.0001156000000000 ] - [ 0.0004930800000000, -0.0001954000000000, 0.0000257700000000 ] - [ 0.0012028800000000, 0.0009664900000000, -0.0017461500000000 ] - [ 0.0001404600000000, 0.0004125400000000, -0.0001379700000000 ] - [ -0.0004412100000000, -0.0000188300000000, -0.0007448700000000 ] - [ -0.0001390600000000, -0.0005386800000000, -0.0002356500000000 ] - [ -0.0012171200000000, -0.0015123500000000, -0.0032903800000000 ] - [ -0.0003564300000000, 0.0001025100000000, -0.0005343100000000 ] - [ -0.0046534900000000, -0.0000405800000000, 0.0014399000000000 ] - [ -0.0000093200000000, 0.0007255700000000, 0.0000452900000000 ] - [ -0.0000947200000000, -0.0002318100000000, 0.0016776300000000 ] - [ -0.0009670700000000, -0.0013866700000000, -0.0011593600000000 ] - [ -0.0004851400000000, -0.0004491700000000, 0.0000116200000000 ] - [ -0.0002219100000000, -0.0004696500000000, -0.0001610500000000 ] - [ 0.0000558300000000, -0.0000527200000000, 0.0002134300000000 ] - [ -0.0003233200000000, 0.0005579900000000, -0.0001705500000000 ] - [ 0.0005814600000000, 0.0014804200000000, -0.0026205000000000 ] - [ 0.0007223400000000, -0.0004574000000000, -0.0005391500000000 ] - [ -0.0000198200000000, 0.0000889200000000, 0.0001150200000000 ] - [ 0.0066163300000000, 0.0046173400000000, -0.0030444600000000 ] - [ 0.0095165900000000, 0.0009768100000000, 0.0012989900000000 ] - [ 0.0000988300000000, -0.0004629400000000, -0.0001150900000000 ] - [ 0.0023083900000000, 0.0005905100000000, 0.0011597800000000 ] - [ -0.0001523400000000, -0.0002236400000000, 0.0012628800000000 ] - [ 0.0001136500000000, 0.0001894900000000, -0.0003894400000000 ] - [ 0.0001361000000000, -0.0001867900000000, -0.0001018100000000 ] - [ -0.0000906500000000, 0.0004084000000000, 0.0001347400000000 ] - [ 0.0014484800000000, -0.0004775700000000, 0.0000847700000000 ] - [ 0.0001400100000000, -0.0001492900000000, -0.0001872400000000 ] - [ -0.0002274900000000, -0.0001581100000000, 0.0000645200000000 ] - [ -0.0001518600000000, 0.0000871900000000, 0.0001041500000000 ] - [ 0.0000883100000000, -0.0001101800000000, 0.0001177800000000 ] - [ 0.0003290600000000, -0.0004095500000000, -0.0000863300000000 ] - [ 0.0000171300000000, -0.0001422700000000, 0.0002103300000000 ] - [ 0.0004709500000000, -0.0000877300000000, 0.0000772500000000 ] - [ 0.0128631900000000, 0.0033814500000000, 0.0012604200000000 ] - [ -0.0030563300000000, 0.0012181900000000, -0.0039068500000000 ] - [ -0.0002962300000000, 0.0004315000000000, -0.0007149600000000 ] - [ -0.0003955700000000, -0.0001769000000000, -0.0003727600000000 ] - [ 0.0000954900000000, -0.0002810000000000, -0.0002762500000000 ] - [ 0.0001287000000000, -0.0000668700000000, -0.0003118100000000 ]- atom: 100 displacement: [ -0.0099999639143206, 0.0000000000000000, 0.0000268647033593 ] forces: - [ -0.0000429900000000, -0.0005853500000000, 0.0000339300000000 ] - [ -0.0002390700000000, -0.0002253900000000, -0.0002915600000000 ] - [ 0.0011500400000000, 0.0001319000000000, -0.0010040800000000 ] - [ 0.0003297100000000, -0.0004271300000000, 0.0003013100000000 ] - [ -0.0002117800000000, -0.0007628500000000, 0.0002090200000000 ] - [ -0.0040704100000000, 0.0007564100000000, 0.0004082500000000 ] - [ -0.0000554900000000, 0.0002865900000000, -0.0002605200000000 ] - [ -0.0019606500000000, 0.0022963000000000, 0.0017825500000000 ] - [ -0.0001939900000000, -0.0000829500000000, -0.0001287100000000 ] - [ 0.0013164500000000, -0.0000349200000000, 0.0004579900000000 ] - [ 0.0001632000000000, 0.0002101000000000, 0.0001097600000000 ] - [ -0.0000488700000000, -0.0005437900000000, 0.0002118600000000 ] - [ 0.0004606000000000, -0.0002933800000000, 0.0000473900000000 ] - [ 0.0001413900000000, 0.0002105600000000, 0.0000182500000000 ] - [ 0.0002194900000000, 0.0002130700000000, 0.0002618800000000 ] - [ -0.0002848200000000, -0.0001215300000000, 0.0000579200000000 ] - [ -0.0033037800000000, 0.0018645500000000, -0.0016130400000000 ] - [ 0.0001873600000000, 0.0000355700000000, -0.0003727000000000 ] - [ -0.0003667800000000, 0.0001411200000000, -0.0000431600000000 ] - [ 0.0002680000000000, -0.0000774200000000, -0.0004279800000000 ] - [ 0.0002045300000000, -0.0002715200000000, 0.0000870100000000 ] - [ 0.0016169100000000, -0.0002410700000000, -0.0006483100000000 ] - [ 0.0015319900000000, -0.0014515400000000, 0.0020499300000000 ] - [ -0.0002693400000000, 0.0004751400000000, -0.0002456300000000 ] - [ -0.0000443300000000, -0.0005527300000000, 0.0006686700000000 ] - [ 0.0005718900000000, -0.0013265900000000, 0.0003707500000000 ] - [ -0.0076165900000000, 0.0056097200000000, -0.0002454600000000 ] - [ 0.0162216400000000, 0.0086478700000000, 0.0012084300000000 ] - [ 0.0000066700000000, 0.0000348800000000, -0.0004282300000000 ] - [ 0.0036353100000000, 0.0028359800000000, 0.0013216500000000 ] - [ 0.0021037800000000, -0.0016792800000000, 0.0010116200000000 ] - [ -0.0030549400000000, 0.0003075000000000, 0.0003118600000000 ] - [ -0.0002581700000000, 0.0002019400000000, 0.0002039600000000 ] - [ -0.0002571500000000, -0.0000055900000000, -0.0002917600000000 ] - [ -0.0000961200000000, -0.0003846500000000, -0.0003383600000000 ] - [ 0.0001140700000000, -0.0003974100000000, -0.0004876600000000 ] - [ -0.0019465400000000, 0.0011029300000000, -0.0026883200000000 ] - [ 0.0003789100000000, -0.0005701800000000, -0.0005051000000000 ] - [ -0.0133542800000000, 0.0030588700000000, -0.0019966000000000 ] - [ -0.0001957100000000, -0.0011797100000000, -0.0003961800000000 ] - [ -0.0037851900000000, -0.0098701200000000, 0.0038301000000000 ] - [ 0.0003072500000000, 0.0001432000000000, -0.0011720700000000 ] - [ -0.0003398800000000, 0.0000553700000000, -0.0031953400000000 ] - [ -0.0002938800000000, -0.0001602900000000, 0.0000063700000000 ] - [ 0.0111061500000000, -0.0054205100000000, -0.0083998300000000 ] - [ -0.0026250400000000, 0.0010003500000000, 0.0000078900000000 ] - [ 0.0000513900000000, 0.0003017600000000, 0.0000344700000000 ] - [ -0.0003492500000000, 0.0001057400000000, 0.0018584800000000 ] - [ -0.0001446000000000, -0.0003770400000000, -0.0000654900000000 ] - [ 0.0002856700000000, -0.0002735600000000, 0.0001033000000000 ] - [ 0.0036393900000000, 0.0025040900000000, -0.0005525900000000 ] - [ -0.0010697300000000, 0.0019118900000000, 0.0065549400000000 ] - [ -0.1977835100000000, 0.0595195300000000, 0.0500183800000000 ] - [ -0.0004497300000000, -0.0000597400000000, 0.0003133200000000 ] - [ 0.0000620100000000, -0.0002559200000000, 0.0001284600000000 ] - [ 0.0001121700000000, -0.0004397000000000, -0.0002596200000000 ] - [ -0.0000320700000000, 0.0004770600000000, -0.0002442000000000 ] - [ 0.0001989200000000, -0.0005066000000000, -0.0001156200000000 ] - [ 0.0087350600000000, 0.0001473300000000, 0.0007509700000000 ] - [ 0.0010302400000000, -0.0029128700000000, 0.0001251100000000 ] - [ 0.0015668700000000, -0.0008566600000000, -0.0004863400000000 ] - [ 0.0003113700000000, 0.0000017000000000, 0.0000391700000000 ] - [ -0.0000361700000000, 0.0001517500000000, 0.0001211900000000 ] - [ -0.0000786200000000, -0.0002908900000000, -0.0004047700000000 ] - [ -0.0001510600000000, -0.0001555100000000, -0.0000126800000000 ] - [ -0.0000023400000000, 0.0008023300000000, 0.0007477200000000 ] - [ -0.0036765400000000, -0.0003001300000000, -0.0084634200000000 ] - [ -0.0019229400000000, -0.0005388800000000, -0.0023397600000000 ] - [ -0.0004041700000000, 0.0006264000000000, 0.0004592900000000 ] - [ 0.0000325000000000, -0.0000915100000000, -0.0001480200000000 ] - [ 0.0006679400000000, -0.0002854400000000, 0.0029627400000000 ] - [ 0.0014027800000000, 0.0018451300000000, -0.0001882300000000 ] - [ 0.0003331100000000, 0.0017586600000000, -0.0026870300000000 ] - [ 0.0004092900000000, -0.0001406500000000, 0.0006520700000000 ] - [ 0.0002577800000000, -0.0001614700000000, -0.0004323800000000 ] - [ -0.0002461200000000, -0.0003011500000000, -0.0000279500000000 ] - [ 0.0000035700000000, -0.0003788500000000, -0.0000782600000000 ] - [ -0.0020412900000000, -0.0033347200000000, 0.0001272100000000 ] - [ 0.0001389600000000, 0.0000735700000000, 0.0001669500000000 ] - [ -0.0003485100000000, 0.0021518100000000, 0.0002302000000000 ] - [ -0.0014278700000000, -0.0013452700000000, 0.0001812700000000 ] - [ -0.0003747100000000, 0.0012780800000000, -0.0098582400000000 ] - [ -0.0001807400000000, 0.0000909400000000, 0.0003172500000000 ] - [ -0.0005423400000000, -0.0030050000000000, -0.0000045200000000 ] - [ 0.0026031400000000, -0.0037140700000000, -0.0018109100000000 ] - [ 0.0002138400000000, 0.0001358100000000, 0.0001499300000000 ] - [ -0.0002843900000000, 0.0001650700000000, -0.0000578200000000 ] - [ -0.0001530300000000, 0.0002126100000000, -0.0000593500000000 ] - [ -0.0003760000000000, 0.0000421500000000, -0.0000036400000000 ] - [ 0.0003365800000000, -0.0003280900000000, -0.0002921900000000 ] - [ -0.0028106600000000, -0.0014068300000000, 0.0032273800000000 ] - [ 0.0040614900000000, 0.0044755100000000, 0.0003137500000000 ] - [ -0.0003255700000000, 0.0002789800000000, 0.0003618900000000 ] - [ 0.0001806700000000, -0.0003483700000000, -0.0002994500000000 ] - [ -0.0155258500000000, 0.0362089400000000, 0.0184822900000000 ] - [ -0.0102184000000000, -0.0016641300000000, 0.0000670900000000 ] - [ 0.0019645700000000, 0.0003343300000000, -0.0003017900000000 ] - [ 0.0003709400000000, -0.0001975100000000, -0.0002164800000000 ] - [ -0.0021535500000000, -0.0007151400000000, -0.0031507300000000 ] - [ 0.3208786700000000, -0.0989076200000000, -0.0872869900000000 ] - [ -0.0003383400000000, 0.0002182700000000, -0.0000110200000000 ] - [ -0.0071911900000000, 0.0024105000000000, 0.0143415700000000 ] - [ 0.0002468900000000, 0.0002593700000000, 0.0004157900000000 ] - [ -0.0003433400000000, -0.0001827900000000, 0.0001310200000000 ] - [ 0.0001605500000000, -0.0004386700000000, -0.0000522200000000 ] - [ -0.0034692000000000, 0.0016467700000000, 0.0009078900000000 ] - [ -0.0013500900000000, 0.0000041600000000, -0.0015852300000000 ] - [ -0.0003861800000000, -0.0000507600000000, -0.0031582100000000 ] - [ 0.0026457500000000, -0.0014994600000000, -0.0018542800000000 ] - [ 0.0002808100000000, 0.0023208500000000, 0.0047062100000000 ] - [ 0.0004280700000000, -0.0004443100000000, 0.0000556400000000 ] - [ 0.0006197500000000, -0.0000173900000000, 0.0001430600000000 ] - [ 0.0001543700000000, 0.0005080600000000, -0.0001838600000000 ] - [ 0.0000374400000000, 0.0001537800000000, 0.0003605900000000 ] - [ -0.0013974800000000, -0.0003958300000000, -0.0003054100000000 ] - [ 0.0000345000000000, 0.0004272400000000, 0.0000981300000000 ] - [ 0.0003290900000000, -0.0009733500000000, 0.0031830500000000 ] - [ 0.0001767700000000, 0.0001864400000000, 0.0002054700000000 ] - [ 0.0000074100000000, -0.0003214800000000, 0.0001628600000000 ] - [ -0.0025966800000000, 0.0034862900000000, -0.0004918500000000 ] - [ -0.0001232100000000, -0.0001198300000000, -0.0002674100000000 ] - [ -0.0001824400000000, 0.0000518900000000, 0.0001549000000000 ] - [ 0.0009830800000000, 0.0025813000000000, -0.0002321000000000 ] - [ -0.0009562900000000, 0.0076078600000000, 0.0014360800000000 ] - [ -0.0001571600000000, -0.0003122900000000, 0.0000849200000000 ] - [ 0.0011075400000000, -0.0001794100000000, 0.0013668600000000 ] - [ 0.0001712800000000, -0.0012571900000000, -0.0002583400000000 ] - [ -0.0001057900000000, 0.0002635300000000, -0.0002074300000000 ] - [ -0.0670304300000000, -0.0064012100000000, 0.0141984100000000 ] - [ 0.0000974300000000, 0.0006983600000000, -0.0001429000000000 ] - [ -0.0006705600000000, 0.0002790800000000, -0.0006572200000000 ] - [ -0.0000737000000000, 0.0000587700000000, 0.0000191800000000 ] - [ -0.0000976100000000, -0.0000511600000000, -0.0000632700000000 ] - [ -0.0000745500000000, 0.0003461900000000, 0.0008039700000000 ] - [ -0.0003625700000000, 0.0003599800000000, -0.0001734600000000 ] - [ -0.0007032600000000, 0.0021995900000000, -0.0002361500000000 ] - [ 0.0004592100000000, 0.0000416800000000, 0.0001015300000000 ] - [ -0.0008242300000000, -0.0010460400000000, 0.0013668700000000 ] - [ 0.0000852400000000, 0.0006942500000000, -0.0002287300000000 ] - [ -0.0005095800000000, -0.0001316100000000, 0.0006205700000000 ] - [ -0.0001112000000000, -0.0005327100000000, 0.0005859900000000 ] - [ 0.0006836900000000, 0.0014393700000000, 0.0030916800000000 ] - [ 0.0002764100000000, -0.0000207100000000, -0.0001233400000000 ] - [ 0.0040990800000000, 0.0001851300000000, -0.0009396200000000 ] - [ -0.0002145100000000, 0.0003801100000000, 0.0003231900000000 ] - [ 0.0005767200000000, 0.0003232000000000, -0.0019240600000000 ] - [ 0.0007373800000000, 0.0012380900000000, 0.0015911400000000 ] - [ -0.0004530600000000, -0.0001184200000000, 0.0001162300000000 ] - [ -0.0002997000000000, -0.0003180100000000, 0.0001007500000000 ] - [ 0.0001924200000000, -0.0000831500000000, 0.0000814800000000 ] - [ 0.0005576100000000, -0.0006963800000000, -0.0002618500000000 ] - [ -0.0003456500000000, -0.0013376200000000, 0.0021997300000000 ] - [ -0.0002399300000000, -0.0000495000000000, -0.0003043800000000 ] - [ 0.0004255800000000, 0.0007861900000000, -0.0000645800000000 ] - [ -0.0070981500000000, -0.0047240100000000, 0.0032974000000000 ] - [ -0.0098008900000000, -0.0007347100000000, -0.0009629700000000 ] - [ 0.0001956700000000, -0.0002914800000000, 0.0003590800000000 ] - [ -0.0018437500000000, -0.0006582700000000, -0.0009759500000000 ] - [ 0.0004896100000000, -0.0003376400000000, -0.0018606700000000 ] - [ 0.0001785300000000, -0.0004102300000000, 0.0000556900000000 ] - [ -0.0000018500000000, 0.0001684800000000, -0.0007537500000000 ] - [ -0.0000597100000000, 0.0007804200000000, 0.0002005000000000 ] - [ -0.0016464600000000, 0.0008097500000000, -0.0002051400000000 ] - [ 0.0002431400000000, 0.0002254500000000, -0.0001949100000000 ] - [ -0.0002305000000000, 0.0002426200000000, 0.0001796300000000 ] - [ -0.0000815700000000, 0.0000620300000000, 0.0003310100000000 ] - [ -0.0002219600000000, 0.0001275500000000, 0.0007320800000000 ] - [ -0.0000417500000000, 0.0006288700000000, -0.0002476800000000 ] - [ 0.0001845200000000, -0.0001851700000000, -0.0000903600000000 ] - [ 0.0004693200000000, -0.0004782000000000, -0.0002019500000000 ] - [ -0.0137009600000000, -0.0027507500000000, -0.0011316600000000 ] - [ 0.0035958400000000, -0.0014023400000000, 0.0034526500000000 ] - [ -0.0000192800000000, -0.0003308500000000, 0.0003818400000000 ] - [ -0.0001816000000000, 0.0001484500000000, -0.0002191600000000 ] - [ 0.0003058600000000, -0.0005944500000000, 0.0003321000000000 ] - [ 0.0004410900000000, 0.0002656000000000, -0.0001496900000000 ]- atom: 100 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000810200000000, -0.0008861200000000, -0.0000745800000000 ] - [ -0.0000142800000000, 0.0000297700000000, -0.0004265500000000 ] - [ 0.0002313800000000, 0.0008367600000000, -0.0000645600000000 ] - [ 0.0001732400000000, -0.0006215100000000, 0.0003918400000000 ] - [ 0.0000480800000000, -0.0006556700000000, 0.0004178400000000 ] - [ -0.0004965400000000, 0.0026121800000000, -0.0002105400000000 ] - [ -0.0001285400000000, 0.0000586300000000, 0.0000581500000000 ] - [ -0.0014209200000000, 0.0016336200000000, -0.0018990000000000 ] - [ -0.0001530300000000, -0.0003929200000000, -0.0003721200000000 ] - [ 0.0005928600000000, 0.0000753400000000, 0.0005358800000000 ] - [ 0.0000184500000000, -0.0000455600000000, -0.0000116900000000 ] - [ 0.0000683400000000, -0.0010065600000000, 0.0002557200000000 ] - [ 0.0004587600000000, -0.0005562400000000, 0.0000520700000000 ] - [ -0.0000051300000000, -0.0004409600000000, 0.0000905400000000 ] - [ -0.0001811200000000, -0.0001177700000000, -0.0002471200000000 ] - [ -0.0003277200000000, -0.0003597700000000, 0.0001141500000000 ] - [ -0.0019610800000000, -0.0003379800000000, 0.0026580400000000 ] - [ -0.0001842400000000, 0.0004382100000000, -0.0001147900000000 ] - [ -0.0004859400000000, -0.0003320600000000, -0.0001881100000000 ] - [ 0.0002227300000000, -0.0000153800000000, -0.0002676600000000 ] - [ 0.0002853900000000, -0.0006558000000000, 0.0001595600000000 ] - [ 0.0004549200000000, 0.0003527600000000, -0.0007438900000000 ] - [ 0.0005234700000000, 0.0008939700000000, 0.0005970300000000 ] - [ 0.0000834300000000, -0.0002310800000000, 0.0005801600000000 ] - [ -0.0001591000000000, -0.0026049100000000, 0.0003871600000000 ] - [ 0.0003561200000000, -0.0022590100000000, 0.0001501300000000 ] - [ -0.0028809100000000, 0.0123996300000000, -0.0022117500000000 ] - [ 0.0005600800000000, 0.0012700900000000, 0.0003548500000000 ] - [ -0.0000620800000000, -0.0000538300000000, -0.0001998500000000 ] - [ -0.0000268900000000, 0.0013781900000000, -0.0007194700000000 ] - [ 0.0012922200000000, -0.0023301700000000, 0.0006397000000000 ] - [ -0.0025050500000000, -0.0034233300000000, 0.0003584200000000 ] - [ -0.0001415300000000, -0.0006971500000000, 0.0005350400000000 ] - [ -0.0001884700000000, -0.0001236300000000, -0.0004813200000000 ] - [ -0.0000329500000000, -0.0011288600000000, -0.0000749900000000 ] - [ 0.0000703400000000, -0.0011352400000000, -0.0004342300000000 ] - [ -0.0007121300000000, 0.0025783500000000, -0.0008665400000000 ] - [ 0.0000854000000000, -0.0020480000000000, -0.0000693500000000 ] - [ 0.0004041100000000, 0.0132573000000000, -0.0033446800000000 ] - [ 0.0001640200000000, -0.0025525900000000, -0.0006272700000000 ] - [ 0.0003721600000000, -0.0094245100000000, 0.0018247200000000 ] - [ 0.0001890700000000, 0.0001197300000000, 0.0005390000000000 ] - [ -0.0000689500000000, 0.0008837000000000, -0.0005768000000000 ] - [ -0.0003156800000000, -0.0011823200000000, -0.0001752100000000 ] - [ 0.0066812200000000, 0.0042075400000000, -0.0021815300000000 ] - [ 0.0007388000000000, 0.0034953600000000, 0.0008709600000000 ] - [ 0.0000942600000000, 0.0001839000000000, 0.0006793300000000 ] - [ -0.0003085900000000, 0.0009230300000000, 0.0011007700000000 ] - [ -0.0000620800000000, -0.0009570400000000, -0.0000075700000000 ] - [ 0.0002156300000000, -0.0011011200000000, 0.0000967000000000 ] - [ -0.0015613900000000, -0.0009806300000000, 0.0001038800000000 ] - [ -0.0009468000000000, 0.0017698300000000, 0.0050524400000000 ] - [ -0.0592462300000000, 0.0788597800000000, 0.0199331000000000 ] - [ -0.0002395200000000, -0.0011764600000000, 0.0006623600000000 ] - [ 0.0004486900000000, 0.0004117200000000, -0.0000229200000000 ] - [ 0.0005445500000000, -0.0010045500000000, -0.0004383700000000 ] - [ -0.0001718600000000, 0.0008421900000000, -0.0000544700000000 ] - [ 0.0002261500000000, -0.0009040400000000, 0.0000200600000000 ] - [ -0.0003799100000000, 0.0055152500000000, -0.0000374200000000 ] - [ 0.0005447700000000, -0.0020389900000000, 0.0000226400000000 ] - [ -0.0001481200000000, 0.0000665300000000, -0.0009825300000000 ] - [ 0.0000263600000000, -0.0000623000000000, -0.0002500500000000 ] - [ -0.0000484900000000, -0.0003928300000000, 0.0001328600000000 ] - [ -0.0001786500000000, 0.0005032700000000, 0.0003246400000000 ] - [ -0.0004685000000000, -0.0004325400000000, 0.0000554000000000 ] - [ 0.0018878200000000, -0.0018094800000000, 0.0014989000000000 ] - [ -0.0023677700000000, 0.0020162900000000, -0.0040329000000000 ] - [ -0.0004088200000000, 0.0005501900000000, -0.0024811700000000 ] - [ 0.0001848900000000, -0.0007252600000000, -0.0011082600000000 ] - [ -0.0001657200000000, -0.0005568600000000, -0.0000495900000000 ] - [ 0.0002011500000000, 0.0007162500000000, -0.0005425100000000 ] - [ -0.0002226400000000, -0.0006524100000000, 0.0001150300000000 ] - [ 0.0003717300000000, 0.0005225600000000, -0.0000198700000000 ] - [ 0.0003710400000000, -0.0002110400000000, 0.0008897000000000 ] - [ 0.0006083700000000, -0.0005100300000000, -0.0007364300000000 ] - [ -0.0005318800000000, -0.0014114500000000, 0.0010976300000000 ] - [ -0.0000118900000000, -0.0007800100000000, -0.0000890800000000 ] - [ 0.0029777800000000, -0.0041815300000000, -0.0005467800000000 ] - [ 0.0001097400000000, 0.0006312500000000, 0.0000915300000000 ] - [ -0.0015678300000000, -0.0031057600000000, -0.0005036300000000 ] - [ 0.0003149200000000, 0.0005591600000000, -0.0001231200000000 ] - [ -0.0018142000000000, -0.0011549400000000, -0.0068510300000000 ] - [ -0.0000412600000000, 0.0005787200000000, 0.0001899500000000 ] - [ 0.0010449700000000, 0.0007580300000000, -0.0003714000000000 ] - [ 0.0018929300000000, 0.0044995000000000, 0.0002279300000000 ] - [ 0.0001982200000000, 0.0003847200000000, 0.0002258600000000 ] - [ -0.0001726100000000, 0.0004556300000000, -0.0002239100000000 ] - [ -0.0004358500000000, 0.0008501500000000, -0.0000471800000000 ] - [ -0.0003514400000000, 0.0001102800000000, -0.0001714300000000 ] - [ 0.0000680400000000, -0.0006250300000000, 0.0000458300000000 ] - [ -0.0005187300000000, -0.0015846400000000, -0.0002320400000000 ] - [ -0.0026089100000000, 0.0098770800000000, 0.0004590400000000 ] - [ -0.0001548300000000, 0.0006337500000000, 0.0003214900000000 ] - [ -0.0006892000000000, 0.0001415700000000, -0.0018737200000000 ] - [ -0.0380704700000000, 0.0259889000000000, 0.0233070800000000 ] - [ -0.0052521900000000, -0.0048568000000000, 0.0001641100000000 ] - [ 0.0009272000000000, 0.0030101800000000, 0.0002140800000000 ] - [ 0.0001927200000000, 0.0012723000000000, -0.0002135100000000 ] - [ -0.0000986000000000, -0.0008090200000000, 0.0007527700000000 ] - [ 0.0966926000000000, -0.1247831100000000, -0.0340085100000000 ] - [ 0.0000329500000000, 0.0000275500000000, 0.0001242300000000 ] - [ -0.0033802500000000, -0.0039391100000000, 0.0074620100000000 ] - [ 0.0003602900000000, 0.0007243200000000, 0.0004321900000000 ] - [ -0.0000861900000000, 0.0005707600000000, 0.0001883800000000 ] - [ 0.0001014300000000, -0.0000306100000000, -0.0002252500000000 ] - [ -0.0009160400000000, 0.0001597800000000, 0.0005717200000000 ] - [ -0.0003333700000000, -0.0003481300000000, 0.0001737600000000 ] - [ -0.0000943800000000, -0.0001143800000000, -0.0025597900000000 ] - [ 0.0016991700000000, -0.0020905700000000, -0.0014916400000000 ] - [ 0.0003356100000000, -0.0001189500000000, 0.0016991300000000 ] - [ 0.0002022600000000, 0.0010236700000000, -0.0008723400000000 ] - [ 0.0000480500000000, 0.0008005800000000, 0.0005024100000000 ] - [ 0.0002468200000000, 0.0008262100000000, -0.0003814800000000 ] - [ -0.0000152400000000, 0.0007921900000000, 0.0002072700000000 ] - [ 0.0001377700000000, -0.0000940900000000, 0.0007544500000000 ] - [ 0.0001083800000000, 0.0006554500000000, 0.0002597300000000 ] - [ 0.0002917700000000, -0.0018626700000000, 0.0004437100000000 ] - [ 0.0002242600000000, 0.0007755100000000, 0.0002512900000000 ] - [ -0.0001506200000000, -0.0007091100000000, 0.0000132800000000 ] - [ -0.0023639400000000, 0.0018457800000000, -0.0000988800000000 ] - [ 0.0010886700000000, 0.0018476500000000, 0.0001606600000000 ] - [ -0.0001685900000000, 0.0004024900000000, 0.0001615800000000 ] - [ -0.0004840700000000, 0.0040671500000000, 0.0001206000000000 ] - [ -0.0022698000000000, 0.0042658100000000, 0.0010698500000000 ] - [ -0.0000621400000000, -0.0000844900000000, -0.0000362500000000 ] - [ 0.0003515900000000, -0.0005605100000000, 0.0011308000000000 ] - [ 0.0003959100000000, 0.0009541700000000, -0.0006634200000000 ] - [ -0.0002513600000000, 0.0009361600000000, -0.0002722300000000 ] - [ 0.0085328800000000, -0.0145362700000000, -0.0010825000000000 ] - [ 0.0004229200000000, 0.0013390100000000, -0.0000615700000000 ] - [ -0.0006143900000000, 0.0004406600000000, -0.0008285100000000 ] - [ 0.0002237500000000, 0.0005141300000000, -0.0000385900000000 ] - [ -0.0001128700000000, 0.0003453700000000, -0.0001515900000000 ] - [ 0.0000613700000000, -0.0004242600000000, -0.0001136500000000 ] - [ -0.0009124600000000, 0.0012807700000000, -0.0002571900000000 ] - [ -0.0008040000000000, 0.0023207800000000, -0.0001471900000000 ] - [ 0.0002973200000000, 0.0003143000000000, 0.0000647200000000 ] - [ 0.0007957900000000, 0.0005285200000000, -0.0013814300000000 ] - [ 0.0001023000000000, 0.0009888500000000, -0.0002001400000000 ] - [ -0.0006550800000000, -0.0005753100000000, -0.0000604900000000 ] - [ -0.0001010000000000, -0.0007879100000000, 0.0002371200000000 ] - [ -0.0007372400000000, -0.0002064000000000, 0.0021386600000000 ] - [ -0.0001140000000000, -0.0009034900000000, -0.0005167200000000 ] - [ -0.0020078400000000, 0.0021667100000000, -0.0040581400000000 ] - [ -0.0001160300000000, 0.0000360500000000, 0.0001328700000000 ] - [ -0.0002372000000000, -0.0016826200000000, 0.0004856400000000 ] - [ -0.0000428900000000, 0.0008837400000000, 0.0022216300000000 ] - [ -0.0004730400000000, 0.0001930400000000, 0.0000660300000000 ] - [ -0.0002440100000000, 0.0000606400000000, 0.0000185200000000 ] - [ 0.0002154900000000, 0.0004550300000000, 0.0008731100000000 ] - [ 0.0003691800000000, 0.0014528600000000, 0.0008527100000000 ] - [ -0.0001280500000000, -0.0006078200000000, 0.0001032000000000 ] - [ 0.0001417000000000, 0.0001111000000000, 0.0000240700000000 ] - [ 0.0005355400000000, 0.0013767800000000, -0.0000392700000000 ] - [ 0.0051423200000000, 0.0027738400000000, -0.0022717200000000 ] - [ -0.0009300500000000, -0.0026265900000000, -0.0002972100000000 ] - [ 0.0001108300000000, 0.0001595500000000, 0.0001233200000000 ] - [ 0.0008571600000000, 0.0001480400000000, 0.0003015800000000 ] - [ -0.0003756100000000, 0.0005882100000000, -0.0013688500000000 ] - [ 0.0001602800000000, -0.0009554500000000, -0.0002289000000000 ] - [ 0.0000697300000000, 0.0005290000000000, -0.0007165700000000 ] - [ -0.0000921600000000, 0.0012937300000000, 0.0001722100000000 ] - [ -0.0008571200000000, 0.0012483200000000, 0.0000251000000000 ] - [ 0.0001660900000000, 0.0006482200000000, 0.0002150600000000 ] - [ -0.0005953600000000, 0.0007338500000000, 0.0002996900000000 ] - [ -0.0002330300000000, 0.0006656800000000, 0.0003356800000000 ] - [ -0.0000727200000000, 0.0001229900000000, 0.0008974400000000 ] - [ -0.0001512500000000, 0.0013510000000000, -0.0002783900000000 ] - [ 0.0002751600000000, -0.0004139900000000, -0.0001180300000000 ] - [ 0.0003679200000000, -0.0010291900000000, -0.0002075800000000 ] - [ 0.0020213100000000, -0.0043372000000000, 0.0009346600000000 ] - [ 0.0013037600000000, -0.0034169100000000, -0.0002970100000000 ] - [ 0.0000315400000000, -0.0006912500000000, -0.0000447200000000 ] - [ -0.0002343000000000, 0.0005158900000000, -0.0009566500000000 ] - [ 0.0003443500000000, -0.0008645900000000, -0.0001774700000000 ] - [ 0.0006412200000000, 0.0010236800000000, -0.0005017600000000 ]- atom: 100 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001099900000000, 0.0006749100000000, 0.0002577000000000 ] - [ -0.0001130500000000, 0.0004097300000000, 0.0003728400000000 ] - [ 0.0003808800000000, -0.0008480300000000, -0.0000788400000000 ] - [ -0.0000814100000000, -0.0000413800000000, -0.0001130200000000 ] - [ -0.0001414000000000, -0.0000086900000000, -0.0007008100000000 ] - [ 0.0002456300000000, -0.0029371300000000, -0.0000829300000000 ] - [ -0.0000616900000000, 0.0001522400000000, -0.0002420100000000 ] - [ 0.0023081600000000, -0.0012665300000000, 0.0021440800000000 ] - [ 0.0002116900000000, 0.0002911300000000, 0.0002588600000000 ] - [ -0.0006579800000000, 0.0000258000000000, -0.0004256600000000 ] - [ 0.0000730800000000, 0.0007117200000000, 0.0002914000000000 ] - [ 0.0000598300000000, 0.0005691200000000, -0.0001993400000000 ] - [ 0.0004074400000000, 0.0002209200000000, 0.0001656200000000 ] - [ 0.0000624000000000, 0.0005452300000000, -0.0002042300000000 ] - [ 0.0001233800000000, 0.0000114100000000, 0.0003606300000000 ] - [ -0.0002886300000000, 0.0003505100000000, 0.0000314500000000 ] - [ 0.0018421600000000, -0.0001415400000000, -0.0026930000000000 ] - [ -0.0006850900000000, -0.0007755200000000, -0.0001006000000000 ] - [ -0.0003805300000000, 0.0006687400000000, -0.0000292400000000 ] - [ -0.0000958800000000, 0.0004559600000000, 0.0003259700000000 ] - [ 0.0003309300000000, 0.0006676100000000, -0.0003078800000000 ] - [ -0.0005558200000000, 0.0003104600000000, 0.0004676700000000 ] - [ -0.0011464600000000, -0.0008739100000000, -0.0004626200000000 ] - [ 0.0001076400000000, 0.0004437300000000, -0.0003953500000000 ] - [ 0.0006829000000000, 0.0022877500000000, 0.0005308200000000 ] - [ -0.0002884600000000, 0.0017931000000000, 0.0001373200000000 ] - [ 0.0027858000000000, -0.0132979300000000, 0.0025668200000000 ] - [ -0.0011752300000000, -0.0016626500000000, -0.0012827800000000 ] - [ -0.0000077000000000, 0.0005256800000000, -0.0000875400000000 ] - [ 0.0002047300000000, -0.0010505700000000, -0.0001571400000000 ] - [ -0.0014954500000000, 0.0026540300000000, 0.0002282500000000 ] - [ 0.0026539700000000, 0.0038135500000000, -0.0002759700000000 ] - [ -0.0002304700000000, 0.0017254200000000, 0.0001279900000000 ] - [ -0.0003367800000000, 0.0004424900000000, -0.0004370200000000 ] - [ -0.0000838100000000, 0.0007568000000000, -0.0000114000000000 ] - [ 0.0001150300000000, 0.0008240200000000, -0.0004366600000000 ] - [ 0.0011150800000000, -0.0023966500000000, 0.0007924200000000 ] - [ 0.0002862600000000, 0.0010244500000000, -0.0005954100000000 ] - [ 0.0000818900000000, -0.0140829000000000, 0.0031188400000000 ] - [ 0.0002349500000000, 0.0023808500000000, 0.0005467000000000 ] - [ -0.0004725500000000, 0.0098261600000000, -0.0019244000000000 ] - [ 0.0003338600000000, 0.0002019600000000, 0.0003856600000000 ] - [ 0.0001870800000000, -0.0012623100000000, 0.0006775000000000 ] - [ -0.0000822300000000, 0.0013690500000000, 0.0002634000000000 ] - [ -0.0071130700000000, -0.0043437600000000, 0.0023182600000000 ] - [ -0.0003573200000000, -0.0024721700000000, -0.0015379600000000 ] - [ -0.0000245400000000, 0.0002909700000000, -0.0003887300000000 ] - [ 0.0001232900000000, -0.0012410500000000, -0.0002329000000000 ] - [ -0.0002548600000000, 0.0004831500000000, -0.0000463800000000 ] - [ -0.0001470500000000, 0.0015004000000000, 0.0000717500000000 ] - [ 0.0020002000000000, 0.0010491600000000, -0.0007988300000000 ] - [ 0.0012475100000000, -0.0019112700000000, -0.0045272700000000 ] - [ 0.0581674500000000, -0.0786227100000000, -0.0196902300000000 ] - [ -0.0001784600000000, 0.0018429800000000, -0.0004258900000000 ] - [ -0.0001325000000000, -0.0008905200000000, 0.0000769500000000 ] - [ -0.0002449500000000, 0.0002258500000000, -0.0000148700000000 ] - [ 0.0002048400000000, -0.0002339500000000, -0.0001617900000000 ] - [ 0.0001938400000000, 0.0002427900000000, -0.0002592000000000 ] - [ 0.0003007700000000, -0.0051657300000000, -0.0001316000000000 ] - [ -0.0005778500000000, 0.0014375600000000, 0.0001928800000000 ] - [ -0.0001498600000000, 0.0000701800000000, 0.0004443200000000 ] - [ 0.0002651100000000, 0.0001941800000000, 0.0007972600000000 ] - [ 0.0000153500000000, 0.0010072200000000, 0.0000834400000000 ] - [ -0.0002419200000000, -0.0011654500000000, -0.0000841800000000 ] - [ 0.0001765400000000, 0.0003009200000000, -0.0006008800000000 ] - [ -0.0016348300000000, 0.0015481100000000, -0.0016430700000000 ] - [ 0.0021293400000000, -0.0017575700000000, 0.0042026400000000 ] - [ 0.0007138500000000, 0.0002339400000000, 0.0020287400000000 ] - [ -0.0004852900000000, 0.0015083800000000, 0.0015684400000000 ] - [ 0.0004198000000000, 0.0008186300000000, -0.0000931100000000 ] - [ -0.0006525600000000, -0.0007841800000000, 0.0012225900000000 ] - [ 0.0005368800000000, 0.0011200900000000, -0.0000603300000000 ] - [ -0.0006709500000000, -0.0013146200000000, 0.0004919500000000 ] - [ -0.0008249000000000, 0.0002793700000000, -0.0002010500000000 ] - [ -0.0001588400000000, 0.0004409000000000, 0.0000408200000000 ] - [ 0.0002796600000000, 0.0011560700000000, -0.0009603700000000 ] - [ -0.0000595500000000, 0.0003840600000000, -0.0000797000000000 ] - [ -0.0029658400000000, 0.0035908200000000, 0.0003322200000000 ] - [ -0.0000384800000000, -0.0010283000000000, 0.0000766400000000 ] - [ 0.0012471300000000, 0.0035658700000000, 0.0004445600000000 ] - [ 0.0001655200000000, 0.0002570100000000, 0.0001875100000000 ] - [ 0.0016786400000000, 0.0011660700000000, 0.0077322400000000 ] - [ -0.0005123700000000, -0.0007519100000000, 0.0002838900000000 ] - [ -0.0013241700000000, 0.0000400000000000, 0.0001293400000000 ] - [ -0.0018237500000000, -0.0045750000000000, 0.0004469200000000 ] - [ 0.0002879000000000, -0.0003151300000000, -0.0000103000000000 ] - [ 0.0006628400000000, -0.0005631800000000, -0.0000279400000000 ] - [ -0.0001260100000000, -0.0007661600000000, -0.0001615300000000 ] - [ -0.0000390700000000, -0.0001791500000000, 0.0005864600000000 ] - [ 0.0004055000000000, -0.0001755900000000, 0.0000197100000000 ] - [ 0.0007623000000000, 0.0017270000000000, 0.0004893100000000 ] - [ 0.0023605800000000, -0.0089174200000000, -0.0001127200000000 ] - [ -0.0003271900000000, -0.0001239500000000, 0.0005126300000000 ] - [ 0.0012583000000000, -0.0001681900000000, 0.0024472700000000 ] - [ 0.0374372000000000, -0.0269723000000000, -0.0225821100000000 ] - [ 0.0055363600000000, 0.0037648000000000, -0.0005338100000000 ] - [ -0.0006646600000000, -0.0022282400000000, 0.0000321600000000 ] - [ -0.0000433700000000, -0.0024579600000000, -0.0001251700000000 ] - [ -0.0002855900000000, 0.0008858900000000, -0.0003179400000000 ] - [ -0.0962756800000000, 0.1262410900000000, 0.0335344000000000 ] - [ 0.0000995500000000, -0.0000110300000000, -0.0009616300000000 ] - [ 0.0028449000000000, 0.0039670600000000, -0.0081082700000000 ] - [ 0.0002100000000000, -0.0006993800000000, 0.0001404200000000 ] - [ -0.0001315800000000, -0.0016998000000000, 0.0001797900000000 ] - [ 0.0001725800000000, -0.0010554500000000, -0.0001233300000000 ] - [ 0.0006876000000000, -0.0000741700000000, -0.0003824900000000 ] - [ -0.0001462600000000, 0.0004197800000000, -0.0003809800000000 ] - [ 0.0005761500000000, 0.0006259600000000, 0.0017321800000000 ] - [ -0.0014716000000000, 0.0020095100000000, 0.0012995600000000 ] - [ -0.0006695900000000, 0.0006560800000000, -0.0011291700000000 ] - [ -0.0005395400000000, -0.0015703400000000, 0.0014655100000000 ] - [ 0.0005173600000000, -0.0008924000000000, -0.0002979700000000 ] - [ 0.0000844000000000, -0.0002883500000000, -0.0002026200000000 ] - [ 0.0000837100000000, -0.0006717300000000, 0.0004565700000000 ] - [ -0.0006175300000000, -0.0004214300000000, 0.0000818500000000 ] - [ 0.0001303500000000, -0.0005684400000000, -0.0004565300000000 ] - [ 0.0002726700000000, 0.0019560100000000, -0.0002525000000000 ] - [ 0.0001006100000000, -0.0006399300000000, 0.0000804000000000 ] - [ -0.0001220800000000, -0.0000654500000000, -0.0002581400000000 ] - [ 0.0026923800000000, -0.0020016300000000, 0.0004300500000000 ] - [ -0.0015562400000000, -0.0010427500000000, -0.0002239800000000 ] - [ -0.0001065800000000, -0.0006439300000000, 0.0001694900000000 ] - [ 0.0001608200000000, -0.0042428100000000, -0.0004547800000000 ] - [ 0.0025054900000000, -0.0039711400000000, -0.0009636100000000 ] - [ -0.0003239200000000, -0.0007819500000000, -0.0000238000000000 ] - [ -0.0005860900000000, 0.0004214300000000, -0.0014190200000000 ] - [ -0.0004703000000000, -0.0010691000000000, 0.0000008600000000 ] - [ 0.0000207700000000, -0.0008014200000000, -0.0000110000000000 ] - [ -0.0072035200000000, 0.0147313400000000, 0.0011197800000000 ] - [ 0.0005455800000000, -0.0007546200000000, -0.0000699400000000 ] - [ 0.0001319600000000, -0.0005136200000000, 0.0006178600000000 ] - [ -0.0004612600000000, -0.0006051400000000, 0.0002317000000000 ] - [ -0.0001027200000000, -0.0006784800000000, 0.0000340800000000 ] - [ 0.0000907900000000, 0.0016030400000000, -0.0002293200000000 ] - [ -0.0000281600000000, -0.0011425800000000, 0.0001349200000000 ] - [ 0.0010822300000000, -0.0012421000000000, -0.0002008400000000 ] - [ 0.0006456200000000, -0.0004582800000000, 0.0000576700000000 ] - [ -0.0004005100000000, -0.0005953700000000, 0.0009634800000000 ] - [ 0.0001168600000000, 0.0001373500000000, -0.0001676900000000 ] - [ -0.0002830600000000, 0.0004349100000000, -0.0000644700000000 ] - [ -0.0001755800000000, -0.0002958500000000, 0.0001094300000000 ] - [ 0.0001665500000000, 0.0001119100000000, -0.0023517700000000 ] - [ 0.0000443900000000, 0.0010282400000000, -0.0001478700000000 ] - [ 0.0014384000000000, -0.0019913700000000, 0.0045159900000000 ] - [ -0.0001030400000000, 0.0010864100000000, 0.0002343300000000 ] - [ 0.0007199900000000, 0.0017895400000000, -0.0007288900000000 ] - [ -0.0001908300000000, -0.0010233300000000, -0.0017977600000000 ] - [ -0.0004928900000000, -0.0007821700000000, 0.0000658800000000 ] - [ -0.0002290400000000, -0.0008653800000000, -0.0000844400000000 ] - [ 0.0000119100000000, -0.0005939400000000, -0.0005964600000000 ] - [ -0.0001412000000000, -0.0015882300000000, -0.0012806100000000 ] - [ 0.0003610600000000, 0.0007486800000000, -0.0005397400000000 ] - [ 0.0003440400000000, -0.0006215100000000, -0.0008606100000000 ] - [ -0.0001513000000000, -0.0005141800000000, 0.0000994700000000 ] - [ -0.0056126500000000, -0.0028581000000000, 0.0025141700000000 ] - [ 0.0006740900000000, 0.0028704700000000, 0.0006278600000000 ] - [ 0.0001595100000000, -0.0009396100000000, 0.0001187500000000 ] - [ -0.0003620600000000, -0.0002209800000000, -0.0000784200000000 ] - [ 0.0007051800000000, -0.0011303100000000, 0.0007877500000000 ] - [ 0.0001155700000000, 0.0007164300000000, -0.0001036800000000 ] - [ 0.0000618300000000, -0.0005493100000000, -0.0001160100000000 ] - [ -0.0000586600000000, -0.0001169500000000, 0.0001652700000000 ] - [ 0.0006427800000000, -0.0009240700000000, -0.0001416900000000 ] - [ 0.0002259900000000, -0.0005833900000000, -0.0006291800000000 ] - [ 0.0001091300000000, -0.0006309400000000, -0.0000476500000000 ] - [ -0.0000001500000000, -0.0005325600000000, 0.0000887200000000 ] - [ -0.0000580900000000, -0.0001038500000000, -0.0000697700000000 ] - [ 0.0004282200000000, -0.0011162600000000, -0.0000525300000000 ] - [ -0.0000573500000000, 0.0000842700000000, 0.0002357100000000 ] - [ 0.0005962700000000, 0.0004420400000000, 0.0000755000000000 ] - [ -0.0030185300000000, 0.0049245200000000, -0.0007932200000000 ] - [ -0.0007689800000000, 0.0032488200000000, -0.0001859900000000 ] - [ -0.0003569700000000, 0.0008337200000000, -0.0002900200000000 ] - [ -0.0003375500000000, -0.0005449500000000, 0.0003844500000000 ] - [ 0.0000418500000000, -0.0000013800000000, 0.0002356300000000 ] - [ -0.0000890700000000, -0.0008528200000000, 0.0000298500000000 ]- atom: 100 displacement: [ -0.0035230240541542, 0.0000000000000000, 0.0093588621911988 ] forces: - [ -0.0000032800000000, -0.0004869200000000, 0.0000682700000000 ] - [ -0.0000932500000000, -0.0003858400000000, -0.0002382600000000 ] - [ 0.0012983900000000, -0.0000035600000000, -0.0012155600000000 ] - [ 0.0001255900000000, -0.0001700500000000, 0.0002030100000000 ] - [ -0.0001707000000000, -0.0000277000000000, -0.0003345200000000 ] - [ -0.0015304400000000, 0.0003613000000000, 0.0028425600000000 ] - [ -0.0000462700000000, 0.0002551500000000, -0.0003572400000000 ] - [ -0.0023059200000000, -0.0011180000000000, 0.0003585700000000 ] - [ -0.0001635300000000, -0.0003244600000000, -0.0003399100000000 ] - [ 0.0001368200000000, 0.0003273000000000, 0.0001710900000000 ] - [ 0.0001081700000000, 0.0001820300000000, 0.0000819100000000 ] - [ -0.0000016200000000, -0.0002377700000000, 0.0002699100000000 ] - [ 0.0004526100000000, -0.0001977800000000, 0.0000615600000000 ] - [ 0.0001094400000000, 0.0003678500000000, 0.0001015800000000 ] - [ -0.0000612200000000, -0.0001559900000000, 0.0000349100000000 ] - [ -0.0002936500000000, -0.0000253500000000, -0.0000198500000000 ] - [ -0.0001277400000000, 0.0031439600000000, -0.0017839700000000 ] - [ -0.0003627000000000, -0.0002070500000000, -0.0007390600000000 ] - [ -0.0004411400000000, 0.0001208600000000, 0.0000298200000000 ] - [ 0.0002427800000000, -0.0000048500000000, -0.0004914800000000 ] - [ 0.0002527200000000, -0.0000163400000000, 0.0000187200000000 ] - [ 0.0011956800000000, -0.0004175700000000, -0.0000170700000000 ] - [ 0.0000708700000000, -0.0005219800000000, 0.0019551200000000 ] - [ -0.0000882600000000, 0.0008341500000000, -0.0005012400000000 ] - [ 0.0000804800000000, -0.0002709300000000, 0.0008249800000000 ] - [ 0.0003500600000000, -0.0009762700000000, 0.0005676200000000 ] - [ 0.0011037700000000, 0.0040135300000000, 0.0099372100000000 ] - [ 0.0077289800000000, 0.0049367000000000, 0.0016814100000000 ] - [ 0.0001251200000000, 0.0001384600000000, -0.0007436400000000 ] - [ 0.0021790200000000, 0.0009903900000000, 0.0021058100000000 ] - [ 0.0007154500000000, -0.0002940100000000, 0.0011147700000000 ] - [ -0.0011059900000000, 0.0004700200000000, 0.0013365800000000 ] - [ -0.0001826200000000, 0.0005318200000000, -0.0000145200000000 ] - [ -0.0004455700000000, -0.0000952300000000, -0.0009529000000000 ] - [ -0.0000173500000000, -0.0000954700000000, -0.0004945700000000 ] - [ 0.0000548100000000, -0.0001005900000000, -0.0007022900000000 ] - [ 0.0002284600000000, 0.0000099900000000, -0.0035302100000000 ] - [ 0.0003061700000000, -0.0003947800000000, -0.0003676300000000 ] - [ -0.0054941000000000, -0.0001729000000000, 0.0120830700000000 ] - [ 0.0001130400000000, -0.0004904400000000, 0.0001982900000000 ] - [ -0.0034640400000000, -0.0082571100000000, 0.0051840700000000 ] - [ 0.0004493400000000, 0.0001403300000000, -0.0019153100000000 ] - [ 0.0000850600000000, -0.0004082500000000, -0.0038992600000000 ] - [ -0.0002639300000000, -0.0000747700000000, -0.0000731300000000 ] - [ 0.0082343600000000, -0.0022653700000000, -0.0056349600000000 ] - [ -0.0029903800000000, 0.0007633100000000, -0.0037412500000000 ] - [ -0.0001499000000000, 0.0006090800000000, -0.0014865200000000 ] - [ -0.0002028700000000, -0.0000799900000000, -0.0013993600000000 ] - [ -0.0001058800000000, -0.0001698700000000, -0.0000985300000000 ] - [ 0.0001701300000000, 0.0000415600000000, 0.0001136000000000 ] - [ 0.0048771400000000, 0.0031804900000000, -0.0001186400000000 ] - [ -0.0005771600000000, 0.0001049400000000, -0.0013908000000000 ] - [ -0.1144990100000000, 0.0379995200000000, 0.0788566000000000 ] - [ -0.0004018700000000, 0.0001339700000000, 0.0002728000000000 ] - [ -0.0003544500000000, -0.0008799700000000, -0.0001933000000000 ] - [ 0.0001321500000000, -0.0002710100000000, -0.0000355800000000 ] - [ 0.0003773600000000, 0.0004332400000000, -0.0004341500000000 ] - [ 0.0003089200000000, -0.0003744600000000, -0.0002056200000000 ] - [ 0.0044656500000000, -0.0000791600000000, 0.0003867400000000 ] - [ 0.0005602300000000, -0.0025007800000000, 0.0002440600000000 ] - [ 0.0006525600000000, -0.0005644600000000, -0.0011896900000000 ] - [ 0.0001986700000000, -0.0000547100000000, 0.0003412100000000 ] - [ -0.0000390500000000, 0.0004598900000000, 0.0000861900000000 ] - [ 0.0003929900000000, -0.0005100500000000, -0.0007517400000000 ] - [ -0.0001209600000000, -0.0000766900000000, -0.0000127900000000 ] - [ -0.0029783900000000, 0.0041883100000000, 0.0002331100000000 ] - [ -0.0015900100000000, -0.0022194300000000, -0.0079370800000000 ] - [ -0.0010143100000000, -0.0003195000000000, -0.0019892200000000 ] - [ -0.0001296500000000, 0.0001389300000000, -0.0000761600000000 ] - [ 0.0000872500000000, 0.0000713200000000, -0.0002244000000000 ] - [ -0.0012243400000000, -0.0010143600000000, 0.0019313500000000 ] - [ 0.0006459700000000, 0.0011637400000000, -0.0001019300000000 ] - [ 0.0008408800000000, 0.0013097900000000, -0.0015998000000000 ] - [ -0.0000797400000000, 0.0000247400000000, 0.0002944700000000 ] - [ 0.0001790900000000, -0.0000940500000000, -0.0004981800000000 ] - [ -0.0000164700000000, 0.0002541500000000, -0.0004380500000000 ] - [ -0.0000793800000000, -0.0002452300000000, -0.0001160300000000 ] - [ -0.0006890900000000, -0.0014000600000000, -0.0000666000000000 ] - [ -0.0003568400000000, -0.0001764800000000, -0.0000531900000000 ] - [ -0.0002450500000000, 0.0020282900000000, 0.0001654500000000 ] - [ -0.0005100900000000, -0.0006552800000000, -0.0000229700000000 ] - [ 0.0038679400000000, -0.0023846700000000, 0.0003368900000000 ] - [ -0.0002339300000000, -0.0000353800000000, 0.0003702500000000 ] - [ -0.0003425600000000, -0.0015075700000000, -0.0007418700000000 ] - [ 0.0019814100000000, -0.0034276200000000, -0.0034662800000000 ] - [ 0.0002635200000000, 0.0000895900000000, 0.0003173700000000 ] - [ 0.0001001800000000, -0.0000475000000000, -0.0000553800000000 ] - [ -0.0002324500000000, 0.0000640000000000, -0.0001652100000000 ] - [ -0.0002128300000000, -0.0001023500000000, 0.0004860300000000 ] - [ 0.0006485800000000, -0.0002365100000000, 0.0002842000000000 ] - [ -0.0012609500000000, -0.0010333300000000, 0.0013147600000000 ] - [ 0.0012999400000000, 0.0016480500000000, -0.0016349500000000 ] - [ -0.0003187900000000, 0.0001531900000000, 0.0003856900000000 ] - [ 0.0014134300000000, -0.0012902900000000, 0.0017296500000000 ] - [ -0.0245623900000000, 0.0372971400000000, 0.0041810000000000 ] - [ -0.0034653600000000, -0.0004349300000000, -0.0007282900000000 ] - [ 0.0016442200000000, 0.0003347200000000, -0.0003222500000000 ] - [ 0.0002124400000000, -0.0004518900000000, -0.0003722300000000 ] - [ -0.0004495400000000, -0.0003474300000000, -0.0025797600000000 ] - [ 0.1921611600000000, -0.0668100100000000, -0.1073607800000000 ] - [ -0.0001541700000000, 0.0002752900000000, 0.0007617300000000 ] - [ -0.0107726700000000, 0.0045653500000000, 0.0097979500000000 ] - [ 0.0002690000000000, 0.0001364400000000, 0.0004030100000000 ] - [ -0.0002733200000000, -0.0004354100000000, 0.0000929000000000 ] - [ 0.0001749700000000, -0.0007284100000000, 0.0000918100000000 ] - [ -0.0020845500000000, 0.0011378000000000, 0.0007435100000000 ] - [ -0.0004845300000000, 0.0004028100000000, -0.0000000500000000 ] - [ 0.0007797600000000, 0.0000352100000000, 0.0009039900000000 ] - [ 0.0006183700000000, -0.0003273400000000, 0.0013637800000000 ] - [ -0.0002229400000000, 0.0031004200000000, 0.0047661700000000 ] - [ 0.0000394800000000, -0.0011676100000000, 0.0001756500000000 ] - [ 0.0002809700000000, 0.0001996100000000, 0.0001043000000000 ] - [ 0.0001482300000000, 0.0003663100000000, -0.0000459200000000 ] - [ 0.0000057900000000, -0.0000175900000000, 0.0004437000000000 ] - [ -0.0001717400000000, 0.0001826000000000, 0.0000523400000000 ] - [ 0.0000894700000000, 0.0002259700000000, -0.0001787500000000 ] - [ -0.0005361500000000, -0.0005227800000000, 0.0022171800000000 ] - [ 0.0001599500000000, -0.0000164700000000, 0.0002256600000000 ] - [ 0.0001051400000000, -0.0000109000000000, 0.0003372300000000 ] - [ -0.0023570400000000, 0.0032202300000000, -0.0006241300000000 ] - [ -0.0002054300000000, -0.0000807300000000, -0.0004447100000000 ] - [ -0.0000945800000000, -0.0000767800000000, 0.0002362500000000 ] - [ 0.0002328900000000, 0.0007043100000000, -0.0002318100000000 ] - [ -0.0001184400000000, 0.0023346300000000, 0.0000338600000000 ] - [ -0.0002725500000000, -0.0003807700000000, 0.0001612300000000 ] - [ 0.0004622000000000, 0.0002467800000000, 0.0015901800000000 ] - [ 0.0001045900000000, -0.0008297500000000, -0.0003492500000000 ] - [ -0.0001075400000000, 0.0000816900000000, -0.0003558700000000 ] - [ -0.0353442500000000, -0.0033345400000000, -0.0055320100000000 ] - [ 0.0003115500000000, 0.0004330000000000, -0.0001670600000000 ] - [ -0.0003215300000000, -0.0000959600000000, -0.0003397800000000 ] - [ -0.0000735700000000, -0.0000039600000000, 0.0000306600000000 ] - [ -0.0000641600000000, -0.0003266300000000, 0.0000834000000000 ] - [ -0.0003439000000000, 0.0005242700000000, 0.0011342100000000 ] - [ -0.0003717000000000, 0.0001850200000000, -0.0002027300000000 ] - [ -0.0003891500000000, 0.0018758400000000, -0.0004075100000000 ] - [ 0.0004365300000000, 0.0000213900000000, 0.0002087700000000 ] - [ -0.0012530600000000, -0.0014816300000000, 0.0019806000000000 ] - [ 0.0001586900000000, 0.0005975800000000, -0.0000657500000000 ] - [ -0.0008168600000000, -0.0000479100000000, 0.0009067800000000 ] - [ -0.0004440200000000, -0.0004740900000000, 0.0006883900000000 ] - [ 0.0001605000000000, 0.0009921900000000, 0.0021053400000000 ] - [ 0.0003527300000000, 0.0008001100000000, 0.0006902300000000 ] - [ 0.0050304300000000, -0.0057240600000000, 0.0029393300000000 ] - [ 0.0000272400000000, 0.0005421900000000, 0.0005690500000000 ] - [ 0.0021296100000000, 0.0005613300000000, -0.0006463200000000 ] - [ 0.0002456300000000, 0.0011436800000000, 0.0011636700000000 ] - [ -0.0004342200000000, -0.0002597100000000, 0.0001743100000000 ] - [ -0.0002717600000000, -0.0004424400000000, 0.0001917200000000 ] - [ 0.0001667700000000, 0.0000491500000000, 0.0003348900000000 ] - [ 0.0002916900000000, 0.0006809500000000, -0.0004678200000000 ] - [ -0.0003063200000000, -0.0008668800000000, 0.0019519400000000 ] - [ 0.0000757600000000, -0.0000613400000000, -0.0006294000000000 ] - [ 0.0003491300000000, 0.0006197500000000, -0.0000937400000000 ] - [ -0.0106624700000000, -0.0066127400000000, 0.0042673300000000 ] - [ -0.0049455100000000, 0.0000715600000000, -0.0006072000000000 ] - [ 0.0001224700000000, -0.0004891500000000, 0.0004571800000000 ] - [ -0.0018896400000000, -0.0008404500000000, -0.0017484600000000 ] - [ 0.0011660400000000, -0.0019567400000000, -0.0027060100000000 ] - [ 0.0003329800000000, 0.0000161400000000, 0.0006386300000000 ] - [ 0.0000472100000000, 0.0000300500000000, -0.0008211600000000 ] - [ -0.0001079600000000, 0.0006135300000000, 0.0002406200000000 ] - [ -0.0012190700000000, 0.0009382600000000, -0.0002807000000000 ] - [ 0.0002477700000000, 0.0001714900000000, -0.0002357900000000 ] - [ -0.0002237600000000, 0.0001243900000000, 0.0002286900000000 ] - [ -0.0000910500000000, -0.0002010600000000, 0.0002450300000000 ] - [ -0.0001929700000000, 0.0002148600000000, 0.0005714400000000 ] - [ 0.0000164600000000, 0.0002841800000000, -0.0002868300000000 ] - [ -0.0000968300000000, -0.0002364800000000, 0.0003636900000000 ] - [ 0.0010410600000000, -0.0003385600000000, 0.0006180100000000 ] - [ -0.0063797200000000, -0.0002061100000000, -0.0035392300000000 ] - [ 0.0014429800000000, -0.0003287400000000, 0.0042678000000000 ] - [ -0.0005019400000000, -0.0002139100000000, 0.0008139300000000 ] - [ -0.0002933000000000, -0.0000905700000000, 0.0001317900000000 ] - [ -0.0000590100000000, -0.0006786900000000, 0.0010378200000000 ] - [ 0.0001973300000000, -0.0001229100000000, -0.0001167800000000 ]- atom: 100 displacement: [ 0.0035230240541542, 0.0000000000000000, -0.0093588621911988 ] forces: - [ 0.0001931900000000, 0.0002681600000000, 0.0001186600000000 ] - [ -0.0000379700000000, 0.0008326500000000, 0.0001840600000000 ] - [ -0.0006836400000000, -0.0000035100000000, 0.0010802600000000 ] - [ -0.0000338700000000, -0.0004996600000000, 0.0000747100000000 ] - [ 0.0000774000000000, -0.0006417500000000, 0.0000592300000000 ] - [ 0.0013049000000000, -0.0006235800000000, -0.0030702300000000 ] - [ -0.0001431300000000, -0.0000371300000000, 0.0001708100000000 ] - [ 0.0031885200000000, 0.0014846100000000, -0.0000978000000000 ] - [ 0.0002237600000000, 0.0002154700000000, 0.0002238300000000 ] - [ -0.0001954400000000, -0.0002194400000000, -0.0000528700000000 ] - [ -0.0000162200000000, 0.0004861500000000, 0.0001956700000000 ] - [ 0.0001334900000000, -0.0002085300000000, -0.0002170500000000 ] - [ 0.0004182500000000, -0.0001417600000000, 0.0001590800000000 ] - [ -0.0000494200000000, -0.0002613800000000, -0.0002195600000000 ] - [ 0.0000000000000000, 0.0000468700000000, 0.0000808400000000 ] - [ -0.0003267800000000, 0.0000153400000000, 0.0001613900000000 ] - [ -0.0000223700000000, -0.0036014100000000, 0.0017636900000000 ] - [ -0.0005072000000000, -0.0001304700000000, 0.0005215400000000 ] - [ -0.0004300400000000, 0.0002166600000000, -0.0002516900000000 ] - [ -0.0001109800000000, 0.0004491400000000, 0.0005464600000000 ] - [ 0.0003674100000000, 0.0000237800000000, -0.0001590700000000 ] - [ -0.0012914500000000, 0.0010891000000000, -0.0002650600000000 ] - [ -0.0006934400000000, 0.0005363000000000, -0.0018209800000000 ] - [ 0.0002798100000000, -0.0006215000000000, 0.0006929200000000 ] - [ 0.0004284000000000, -0.0000585300000000, 0.0000785000000000 ] - [ -0.0002651300000000, 0.0004962700000000, -0.0002880300000000 ] - [ -0.0010617300000000, -0.0044510700000000, -0.0098219900000000 ] - [ -0.0082561900000000, -0.0052748600000000, -0.0025978600000000 ] - [ -0.0002111100000000, 0.0003403900000000, 0.0004635200000000 ] - [ -0.0019974800000000, -0.0006622200000000, -0.0029775900000000 ] - [ -0.0008934400000000, 0.0006050600000000, -0.0002585900000000 ] - [ 0.0012115300000000, -0.0001107800000000, -0.0012593000000000 ] - [ -0.0002078200000000, 0.0004922200000000, 0.0006836100000000 ] - [ -0.0000632300000000, 0.0004220300000000, 0.0000501200000000 ] - [ -0.0000956500000000, -0.0002782500000000, 0.0004201800000000 ] - [ 0.0001270100000000, -0.0002212100000000, -0.0001539200000000 ] - [ 0.0001447600000000, 0.0001766800000000, 0.0034380000000000 ] - [ 0.0000834400000000, -0.0006346500000000, -0.0002977500000000 ] - [ 0.0054690200000000, -0.0003231600000000, -0.0123399100000000 ] - [ 0.0002623600000000, 0.0002988200000000, -0.0003034000000000 ] - [ 0.0033432000000000, 0.0086474400000000, -0.0052757800000000 ] - [ 0.0000577700000000, 0.0001832100000000, 0.0028328500000000 ] - [ 0.0000292000000000, 0.0000428000000000, 0.0039918900000000 ] - [ -0.0001118500000000, 0.0002576900000000, 0.0001733800000000 ] - [ -0.0086226500000000, 0.0020981200000000, 0.0057447500000000 ] - [ 0.0034022300000000, 0.0002644500000000, 0.0030916200000000 ] - [ 0.0002358300000000, -0.0001340800000000, 0.0017765200000000 ] - [ 0.0000178900000000, -0.0002359700000000, 0.0022651800000000 ] - [ -0.0002252800000000, -0.0003115400000000, 0.0000509400000000 ] - [ -0.0001062700000000, 0.0003358500000000, 0.0000493000000000 ] - [ -0.0044645600000000, -0.0031224200000000, -0.0005842400000000 ] - [ 0.0008613200000000, -0.0002384300000000, 0.0019606900000000 ] - [ 0.1094227500000000, -0.0349647900000000, -0.0784976300000000 ] - [ -0.0000114700000000, 0.0005363400000000, -0.0000426400000000 ] - [ 0.0006888600000000, 0.0004061500000000, 0.0002418300000000 ] - [ 0.0001599700000000, -0.0005011300000000, -0.0004255200000000 ] - [ -0.0003512700000000, 0.0001732300000000, 0.0002204800000000 ] - [ 0.0001047300000000, -0.0003001400000000, -0.0000231200000000 ] - [ -0.0045307300000000, 0.0004621400000000, -0.0005484300000000 ] - [ -0.0005875600000000, 0.0018998400000000, -0.0000309400000000 ] - [ -0.0009480500000000, 0.0007104700000000, 0.0006507400000000 ] - [ 0.0000938600000000, 0.0001986900000000, 0.0001995100000000 ] - [ 0.0000103700000000, 0.0001420600000000, 0.0001284000000000 ] - [ -0.0008080800000000, -0.0001625200000000, 0.0009857900000000 ] - [ -0.0001724400000000, -0.0000672400000000, -0.0005324200000000 ] - [ 0.0032457400000000, -0.0044646100000000, -0.0003684300000000 ] - [ 0.0013380500000000, 0.0025055200000000, 0.0081048700000000 ] - [ 0.0013105100000000, 0.0010930500000000, 0.0015330900000000 ] - [ -0.0001604400000000, 0.0006276500000000, 0.0005304700000000 ] - [ 0.0001683200000000, 0.0001888700000000, 0.0000862600000000 ] - [ 0.0007901600000000, 0.0009412800000000, -0.0012408600000000 ] - [ -0.0003169200000000, -0.0006889000000000, 0.0001499500000000 ] - [ -0.0011273500000000, -0.0020824400000000, 0.0020684400000000 ] - [ -0.0003554400000000, 0.0000522100000000, 0.0004061300000000 ] - [ 0.0002589500000000, 0.0000149000000000, -0.0002009800000000 ] - [ -0.0002397000000000, -0.0005173600000000, 0.0005791700000000 ] - [ 0.0000156600000000, -0.0001359900000000, -0.0000470200000000 ] - [ 0.0007293700000000, 0.0007839700000000, -0.0001509500000000 ] - [ 0.0004209300000000, -0.0002031600000000, 0.0002164700000000 ] - [ -0.0000871400000000, -0.0015494400000000, -0.0002114200000000 ] - [ 0.0010321700000000, 0.0014439500000000, 0.0000836100000000 ] - [ -0.0039956200000000, 0.0023682100000000, 0.0004876100000000 ] - [ -0.0003328400000000, -0.0001593300000000, 0.0000915000000000 ] - [ 0.0000509800000000, 0.0022669400000000, 0.0004964600000000 ] - [ -0.0019111000000000, 0.0033463500000000, 0.0041534200000000 ] - [ 0.0002042800000000, -0.0000175900000000, -0.0001271300000000 ] - [ 0.0003581500000000, -0.0000375500000000, -0.0001900800000000 ] - [ -0.0003120800000000, 0.0000198800000000, -0.0000400100000000 ] - [ -0.0001704200000000, 0.0000249300000000, -0.0001080100000000 ] - [ -0.0001291400000000, -0.0005525600000000, -0.0002244400000000 ] - [ 0.0015110400000000, 0.0011728400000000, -0.0010345000000000 ] - [ -0.0015634700000000, -0.0005404000000000, 0.0019874400000000 ] - [ -0.0001624000000000, 0.0003523600000000, 0.0004535100000000 ] - [ -0.0008412600000000, 0.0012656800000000, -0.0011495200000000 ] - [ 0.0242594500000000, -0.0381375700000000, -0.0039951300000000 ] - [ 0.0036705500000000, -0.0006818300000000, 0.0003628000000000 ] - [ -0.0013477000000000, 0.0004231400000000, 0.0005658900000000 ] - [ -0.0000613700000000, -0.0007339800000000, 0.0000374800000000 ] - [ 0.0000683800000000, 0.0004215500000000, 0.0029715300000000 ] - [ -0.1874043500000000, 0.0644171600000000, 0.1077623000000000 ] - [ 0.0002884400000000, -0.0002582500000000, -0.0016202200000000 ] - [ 0.0103515700000000, -0.0046258900000000, -0.0104851700000000 ] - [ 0.0003077000000000, -0.0001064900000000, 0.0001855700000000 ] - [ 0.0000478100000000, -0.0006695900000000, 0.0002743900000000 ] - [ 0.0000756600000000, -0.0003406500000000, -0.0004434700000000 ] - [ 0.0018277900000000, -0.0010308700000000, -0.0005430100000000 ] - [ 0.0000195100000000, -0.0003338600000000, -0.0001903600000000 ] - [ -0.0002994800000000, 0.0004663700000000, -0.0017574100000000 ] - [ -0.0003457500000000, 0.0002095700000000, -0.0015736800000000 ] - [ -0.0001044700000000, -0.0025740700000000, -0.0041978700000000 ] - [ -0.0003657900000000, 0.0006190300000000, 0.0004095500000000 ] - [ 0.0002643400000000, -0.0002804400000000, 0.0001032600000000 ] - [ 0.0001791500000000, 0.0001819000000000, -0.0005439300000000 ] - [ 0.0000736700000000, 0.0000965000000000, 0.0002186500000000 ] - [ -0.0003089700000000, -0.0006888600000000, 0.0007882500000000 ] - [ 0.0001722400000000, -0.0001129700000000, -0.0000223800000000 ] - [ 0.0010778600000000, 0.0006067600000000, -0.0020198500000000 ] - [ 0.0001566400000000, 0.0001192400000000, 0.0001078600000000 ] - [ -0.0004018400000000, -0.0007464300000000, -0.0005824100000000 ] - [ 0.0026704500000000, -0.0033262900000000, 0.0009615700000000 ] - [ -0.0003168400000000, 0.0008681000000000, 0.0003859300000000 ] - [ -0.0001947300000000, -0.0001449100000000, 0.0000974900000000 ] - [ -0.0005509200000000, -0.0007916600000000, -0.0001005500000000 ] - [ 0.0003113600000000, -0.0019882300000000, 0.0000888000000000 ] - [ -0.0001310500000000, -0.0004946100000000, -0.0002128200000000 ] - [ -0.0007120500000000, -0.0003850000000000, -0.0018889600000000 ] - [ -0.0001835900000000, 0.0007584100000000, -0.0003148200000000 ] - [ -0.0001404200000000, 0.0000570300000000, 0.0000645100000000 ] - [ 0.0361886800000000, 0.0034883500000000, 0.0054283200000000 ] - [ 0.0006279200000000, 0.0001369700000000, 0.0000392200000000 ] - [ -0.0001477500000000, 0.0000259000000000, 0.0001453200000000 ] - [ -0.0001880500000000, -0.0001068100000000, 0.0001724600000000 ] - [ -0.0001378100000000, 0.0000007600000000, -0.0002051000000000 ] - [ 0.0004959300000000, 0.0006648100000000, -0.0014753000000000 ] - [ -0.0005804500000000, -0.0000306900000000, 0.0000761700000000 ] - [ 0.0006398000000000, -0.0008036900000000, 0.0000581300000000 ] - [ 0.0005148100000000, -0.0001737000000000, -0.0000827300000000 ] - [ 0.0016459800000000, 0.0014163200000000, -0.0023775300000000 ] - [ 0.0000668300000000, 0.0005103300000000, -0.0003015400000000 ] - [ -0.0001323500000000, -0.0001036900000000, -0.0010377100000000 ] - [ 0.0001931400000000, -0.0006003600000000, -0.0003394700000000 ] - [ -0.0007084300000000, -0.0010789400000000, -0.0023205400000000 ] - [ -0.0004354900000000, -0.0007292800000000, -0.0013581600000000 ] - [ -0.0056398700000000, 0.0059499300000000, -0.0024903700000000 ] - [ -0.0002524000000000, 0.0005629200000000, -0.0002040900000000 ] - [ -0.0016772800000000, -0.0004833900000000, 0.0004078000000000 ] - [ -0.0004788500000000, -0.0012965000000000, -0.0007280700000000 ] - [ -0.0005053700000000, -0.0003073300000000, -0.0000466800000000 ] - [ -0.0002492200000000, -0.0003433100000000, -0.0002533300000000 ] - [ 0.0000803400000000, -0.0001847200000000, -0.0000406500000000 ] - [ -0.0000591500000000, -0.0008251400000000, 0.0000390900000000 ] - [ 0.0005372000000000, 0.0010174800000000, -0.0023939200000000 ] - [ 0.0004063200000000, -0.0004421700000000, -0.0002072400000000 ] - [ 0.0000558200000000, 0.0002575700000000, 0.0001445200000000 ] - [ 0.0102998900000000, 0.0065720200000000, -0.0040734300000000 ] - [ 0.0046508900000000, 0.0001439400000000, 0.0009425700000000 ] - [ 0.0001711800000000, -0.0002629000000000, -0.0002153600000000 ] - [ 0.0023713400000000, 0.0007746600000000, 0.0019547400000000 ] - [ -0.0008426000000000, 0.0014169800000000, 0.0021228900000000 ] - [ -0.0000427300000000, -0.0002402000000000, -0.0009759400000000 ] - [ 0.0000863900000000, -0.0000468400000000, -0.0000308700000000 ] - [ -0.0000425200000000, 0.0005783700000000, 0.0000944000000000 ] - [ 0.0010181900000000, -0.0006114300000000, 0.0001613400000000 ] - [ 0.0001352300000000, -0.0000945100000000, -0.0001461700000000 ] - [ -0.0002352800000000, -0.0000381700000000, 0.0000151900000000 ] - [ -0.0001419800000000, 0.0003535900000000, 0.0001896700000000 ] - [ 0.0000598000000000, -0.0001977700000000, 0.0002825500000000 ] - [ 0.0002719500000000, -0.0000590300000000, -0.0000473100000000 ] - [ 0.0003012200000000, -0.0000929900000000, -0.0002441400000000 ] - [ -0.0001039500000000, -0.0002305000000000, -0.0007492400000000 ] - [ 0.0054295100000000, 0.0007642800000000, 0.0036969900000000 ] - [ -0.0008731300000000, 0.0001245100000000, -0.0047592700000000 ] - [ 0.0001878400000000, 0.0003136300000000, -0.0011508800000000 ] - [ -0.0002835400000000, 0.0000622700000000, -0.0007241500000000 ] - [ 0.0004624600000000, -0.0001954400000000, -0.0009920100000000 ] - [ 0.0003700000000000, 0.0003212800000000, -0.0003465700000000 ]- atom: 106 displacement: [ 0.0099999639143206, 0.0000000000000000, -0.0000268647033593 ] forces: - [ -0.0004927400000000, -0.0004374100000000, -0.0000691800000000 ] - [ -0.0000475000000000, 0.0004066300000000, -0.0000462300000000 ] - [ 0.0002399900000000, -0.0002664800000000, -0.0002242200000000 ] - [ 0.0000755800000000, -0.0003673200000000, 0.0005949400000000 ] - [ -0.0000703400000000, -0.0001975900000000, -0.0002038700000000 ] - [ -0.0003030200000000, 0.0002595100000000, 0.0003647200000000 ] - [ -0.0000674600000000, 0.0005765000000000, -0.0002205800000000 ] - [ -0.0036925800000000, -0.0022705900000000, -0.0005063900000000 ] - [ -0.0031980500000000, 0.0012971300000000, 0.0015340900000000 ] - [ 0.0005703400000000, 0.0003127600000000, -0.0000714800000000 ] - [ 0.0019759400000000, 0.0027689800000000, -0.0000889100000000 ] - [ -0.0001419000000000, -0.0003468400000000, 0.0002442200000000 ] - [ 0.0004237000000000, 0.0000185700000000, 0.0001248700000000 ] - [ 0.0002145500000000, 0.0002133300000000, -0.0002227500000000 ] - [ -0.0000369700000000, 0.0001308400000000, 0.0001646900000000 ] - [ -0.0001246400000000, 0.0004340400000000, 0.0000754300000000 ] - [ -0.0008277300000000, 0.0005294400000000, -0.0000580100000000 ] - [ 0.0022825500000000, -0.0018169700000000, -0.0004858100000000 ] - [ -0.0004276300000000, 0.0003612900000000, -0.0000342700000000 ] - [ 0.0024243000000000, -0.0023475000000000, -0.0024822000000000 ] - [ 0.0002702500000000, 0.0003800200000000, -0.0001589900000000 ] - [ 0.0000538800000000, 0.0004284600000000, -0.0000540600000000 ] - [ -0.0000004000000000, -0.0001948600000000, 0.0014552300000000 ] - [ 0.0002387100000000, -0.0001209300000000, 0.0000331100000000 ] - [ -0.0005427300000000, 0.0017961800000000, -0.0007636800000000 ] - [ 0.0011353100000000, -0.0009994500000000, 0.0001055500000000 ] - [ -0.0017952100000000, -0.0021514300000000, 0.0002506900000000 ] - [ 0.0017537700000000, 0.0022470400000000, 0.0021415000000000 ] - [ -0.0002211000000000, 0.0009216900000000, -0.0001698200000000 ] - [ 0.0161888900000000, -0.0023902800000000, -0.0158532500000000 ] - [ 0.0001582000000000, 0.0010178700000000, 0.0005219400000000 ] - [ -0.0003137000000000, 0.0011209700000000, 0.0002452800000000 ] - [ -0.0005595900000000, 0.0012815500000000, 0.0003734700000000 ] - [ -0.0001172600000000, 0.0007416000000000, -0.0005554800000000 ] - [ 0.0007830400000000, 0.0001885700000000, -0.0002240200000000 ] - [ -0.0005064800000000, 0.0009952800000000, 0.0003467100000000 ] - [ -0.0035448000000000, 0.0011320800000000, -0.0044778100000000 ] - [ 0.0002834900000000, 0.0002375700000000, -0.0005629600000000 ] - [ -0.0007985600000000, -0.0005456500000000, -0.0003240300000000 ] - [ 0.0001230000000000, 0.0006621300000000, -0.0000114700000000 ] - [ -0.0050353500000000, -0.0032558000000000, 0.0022470600000000 ] - [ -0.0016020800000000, -0.0007700600000000, -0.0008071600000000 ] - [ 0.0003671400000000, 0.0002503400000000, -0.0016143700000000 ] - [ -0.0001144900000000, 0.0009184900000000, 0.0003059800000000 ] - [ 0.0183813900000000, -0.0062932100000000, -0.0044508500000000 ] - [ 0.0005741900000000, -0.0007922600000000, 0.0006525900000000 ] - [ -0.0000759200000000, -0.0002401900000000, 0.0119453100000000 ] - [ -0.0007682000000000, -0.0009662700000000, 0.0005109900000000 ] - [ -0.0010464800000000, -0.0003588600000000, 0.0000121700000000 ] - [ 0.0002009900000000, 0.0009253400000000, 0.0000723200000000 ] - [ -0.0007104900000000, -0.0003427000000000, -0.0010293100000000 ] - [ -0.0005099300000000, -0.0001345700000000, 0.0003439000000000 ] - [ -0.0041177500000000, 0.0017927100000000, 0.0014058000000000 ] - [ -0.0006158200000000, 0.0007314800000000, 0.0000623400000000 ] - [ 0.0002997200000000, -0.0004157500000000, -0.0000270400000000 ] - [ -0.0001478900000000, -0.0001694900000000, -0.0002280100000000 ] - [ -0.0003504700000000, 0.0008973900000000, -0.0001477100000000 ] - [ 0.0002398900000000, 0.0001122800000000, -0.0002767000000000 ] - [ 0.0044776700000000, -0.0007413100000000, -0.0009043000000000 ] - [ 0.0028340800000000, -0.0089371800000000, 0.0006352300000000 ] - [ 0.1599323400000000, -0.0688421000000000, -0.0455613700000000 ] - [ 0.0003665500000000, 0.0002271100000000, 0.0002993700000000 ] - [ 0.0004100000000000, 0.0015892400000000, 0.0003883400000000 ] - [ 0.0017594100000000, -0.0017982900000000, -0.0015840800000000 ] - [ -0.0000208600000000, -0.0000125600000000, 0.0001718400000000 ] - [ 0.0005846200000000, 0.0000842000000000, 0.0016878400000000 ] - [ -0.0000040000000000, -0.0001742200000000, 0.0000527700000000 ] - [ -0.0073526000000000, -0.0056871200000000, -0.0007662200000000 ] - [ -0.0003197700000000, 0.0007648900000000, 0.0005511200000000 ] - [ 0.0003214300000000, 0.0004409200000000, -0.0001789800000000 ] - [ -0.0003908900000000, -0.0004104400000000, 0.0013197900000000 ] - [ 0.0002400900000000, 0.0012317200000000, -0.0000109100000000 ] - [ 0.0012003100000000, 0.0028603100000000, -0.0025316600000000 ] - [ -0.0003448000000000, 0.0002536600000000, 0.0003408100000000 ] - [ -0.0008435800000000, 0.0008414400000000, 0.0001046600000000 ] - [ 0.0000062900000000, 0.0003838000000000, -0.0002299600000000 ] - [ -0.0001193100000000, 0.0003426700000000, -0.0000691300000000 ] - [ -0.0001025600000000, 0.0001725400000000, -0.0000984300000000 ] - [ -0.0015584500000000, -0.0019946300000000, 0.0003253700000000 ] - [ -0.0035266100000000, -0.0001630900000000, -0.0011823000000000 ] - [ -0.0000286600000000, -0.0004394500000000, -0.0000724700000000 ] - [ 0.0003015100000000, 0.0004599600000000, 0.0005615700000000 ] - [ -0.0003065300000000, -0.0004191400000000, 0.0003136700000000 ] - [ -0.0000773900000000, -0.0007975500000000, -0.0002706700000000 ] - [ 0.0023895400000000, 0.0010609600000000, 0.0010896700000000 ] - [ 0.0006790100000000, -0.0009317300000000, -0.0002755900000000 ] - [ 0.0003021400000000, -0.0004116700000000, -0.0001179700000000 ] - [ -0.0001067900000000, -0.0002149500000000, -0.0001563200000000 ] - [ -0.0002445400000000, -0.0003080700000000, 0.0002862200000000 ] - [ 0.0001610300000000, -0.0004430500000000, -0.0000216400000000 ] - [ -0.0012024600000000, -0.0049377500000000, 0.0001385800000000 ] - [ 0.0001506700000000, 0.0001336900000000, 0.0001134700000000 ] - [ -0.0002352800000000, 0.0000772200000000, 0.0000707800000000 ] - [ -0.0000779000000000, 0.0007925000000000, -0.0026547300000000 ] - [ 0.0060171700000000, 0.0011387800000000, -0.0033435900000000 ] - [ -0.0014409900000000, -0.0001618400000000, -0.0003304400000000 ] - [ 0.0022407300000000, 0.0006425800000000, -0.0000176000000000 ] - [ 0.0002054500000000, -0.0011261300000000, -0.0002021600000000 ] - [ -0.0002772800000000, 0.0000194500000000, -0.0012102600000000 ] - [ 0.0031417600000000, -0.0003749900000000, -0.0008910000000000 ] - [ 0.0050903800000000, -0.0171283300000000, -0.0350469400000000 ] - [ -0.0001165000000000, 0.0003638400000000, -0.0003763600000000 ] - [ -0.0002909100000000, -0.0002326500000000, 0.0006579200000000 ] - [ -0.0006611200000000, -0.0012080800000000, 0.0004689700000000 ] - [ -0.0010303300000000, -0.0016703300000000, -0.0008274700000000 ] - [ -0.2652863700000000, 0.1384180700000000, 0.0863786800000000 ] - [ -0.0003064400000000, 0.0001766200000000, -0.0006131600000000 ] - [ 0.0006149800000000, 0.0004866600000000, -0.0002687400000000 ] - [ 0.0015464200000000, 0.0000038300000000, -0.0002030000000000 ] - [ -0.0002179000000000, 0.0003247300000000, 0.0006178200000000 ] - [ -0.0001002700000000, -0.0008308300000000, 0.0005091900000000 ] - [ 0.0003963000000000, -0.0004018200000000, 0.0000295500000000 ] - [ -0.0006642100000000, 0.0004034300000000, -0.0001404400000000 ] - [ 0.0001586900000000, -0.0000710900000000, 0.0003571600000000 ] - [ 0.0519593700000000, -0.0396059400000000, 0.0149382700000000 ] - [ -0.0000650000000000, -0.0002433000000000, -0.0000850300000000 ] - [ 0.0017846700000000, -0.0035491000000000, 0.0035921000000000 ] - [ -0.0001481800000000, -0.0009530600000000, 0.0000533700000000 ] - [ -0.0004550500000000, -0.0005815000000000, 0.0000813700000000 ] - [ 0.0038474100000000, 0.0085232100000000, -0.0100747600000000 ] - [ 0.0017931800000000, -0.0007124600000000, 0.0024537900000000 ] - [ -0.0000837800000000, -0.0006301200000000, 0.0001034900000000 ] - [ -0.0001181700000000, -0.0005844900000000, -0.0002207100000000 ] - [ 0.0001359800000000, -0.0001400700000000, 0.0000119200000000 ] - [ -0.0002650800000000, -0.0007765400000000, -0.0000096900000000 ] - [ 0.0042312100000000, 0.0018316300000000, 0.0027600900000000 ] - [ 0.0000512400000000, -0.0009496900000000, -0.0001910100000000 ] - [ 0.0000001500000000, -0.0003669200000000, 0.0001067400000000 ] - [ 0.0028994900000000, -0.0033561000000000, -0.0040142000000000 ] - [ 0.0002037200000000, -0.0001038500000000, -0.0000871700000000 ] - [ -0.0002905500000000, -0.0003168200000000, -0.0000501700000000 ] - [ -0.0001640500000000, -0.0002777200000000, -0.0001422400000000 ] - [ -0.0000233000000000, -0.0014956400000000, -0.0008596800000000 ] - [ -0.0005695800000000, 0.0011378500000000, 0.0015530000000000 ] - [ 0.0001265600000000, -0.0003894700000000, 0.0000779900000000 ] - [ 0.0001406400000000, 0.0035623600000000, -0.0001906500000000 ] - [ 0.0005466100000000, -0.0004271600000000, 0.0001296800000000 ] - [ 0.0005283100000000, -0.0000187200000000, 0.0005495300000000 ] - [ 0.0001481300000000, 0.0001392800000000, -0.0001773300000000 ] - [ -0.0005753000000000, 0.0004835800000000, 0.0011139000000000 ] - [ 0.0000947300000000, -0.0010131800000000, 0.0003445100000000 ] - [ 0.0136160200000000, 0.0034750400000000, 0.0047504200000000 ] - [ -0.0003933400000000, 0.0004399000000000, -0.0002871100000000 ] - [ -0.0001714700000000, 0.0006101200000000, -0.0005827100000000 ] - [ 0.0019583200000000, 0.0017117000000000, -0.0007036500000000 ] - [ 0.0006541600000000, 0.0005056500000000, -0.0008623600000000 ] - [ 0.0032758100000000, 0.0024930700000000, -0.0009828100000000 ] - [ -0.0004019600000000, -0.0007321700000000, 0.0000192700000000 ] - [ 0.0006697500000000, -0.0004968600000000, -0.0004700600000000 ] - [ 0.0001376100000000, -0.0003834900000000, 0.0000070100000000 ] - [ 0.0002046400000000, -0.0004599100000000, -0.0005236000000000 ] - [ -0.0007898000000000, -0.0015904400000000, 0.0023365800000000 ] - [ 0.0001291300000000, -0.0004797400000000, -0.0005406100000000 ] - [ 0.0003013200000000, 0.0004439600000000, 0.0000418900000000 ] - [ 0.0003156200000000, 0.0005842600000000, 0.0002461000000000 ] - [ -0.0067815600000000, -0.0000019600000000, -0.0031304100000000 ] - [ 0.0006092100000000, 0.0001651700000000, 0.0004934600000000 ] - [ -0.0005750700000000, 0.0004460800000000, 0.0029771000000000 ] - [ 0.0006541900000000, -0.0001815700000000, -0.0018872800000000 ] - [ 0.0017383200000000, 0.0008705900000000, 0.0004089300000000 ] - [ -0.0000504900000000, 0.0000681900000000, -0.0008598400000000 ] - [ -0.0001337400000000, 0.0000864600000000, 0.0001860600000000 ] - [ -0.0044348300000000, 0.0013754500000000, 0.0000366100000000 ] - [ 0.0008250700000000, -0.0012929800000000, -0.0001320800000000 ] - [ 0.0008039100000000, -0.0006351500000000, -0.0001434100000000 ] - [ -0.0001348300000000, -0.0000963900000000, 0.0001439600000000 ] - [ -0.0000925700000000, -0.0001689000000000, 0.0003989700000000 ] - [ 0.0000972900000000, -0.0004022400000000, -0.0000760000000000 ] - [ 0.0004379500000000, -0.0003783900000000, 0.0000634400000000 ] - [ 0.0011105400000000, 0.0010914700000000, -0.0010082600000000 ] - [ -0.0019718600000000, 0.0028627100000000, 0.0018290700000000 ] - [ 0.0001297800000000, 0.0002890900000000, -0.0002387900000000 ] - [ 0.0002768800000000, -0.0005820600000000, 0.0003708400000000 ] - [ -0.0002579800000000, -0.0003676800000000, -0.0001419700000000 ] - [ -0.0023239900000000, 0.0011607400000000, -0.0003924700000000 ] - [ 0.0002277600000000, -0.0003358000000000, -0.0001102300000000 ]- atom: 106 displacement: [ -0.0099999639143206, 0.0000000000000000, 0.0000268647033593 ] forces: - [ 0.0006845800000000, 0.0002207400000000, 0.0002536400000000 ] - [ -0.0000788700000000, 0.0000314100000000, -0.0000112500000000 ] - [ 0.0003755200000000, 0.0002551500000000, 0.0000762700000000 ] - [ 0.0000174100000000, -0.0002963200000000, -0.0003154200000000 ] - [ -0.0000231200000000, -0.0004659900000000, -0.0000761300000000 ] - [ 0.0001116300000000, -0.0004691600000000, -0.0005440400000000 ] - [ -0.0001222000000000, -0.0003609700000000, 0.0000356500000000 ] - [ 0.0045475300000000, 0.0026116000000000, 0.0007223900000000 ] - [ 0.0032495200000000, -0.0014015700000000, -0.0016557600000000 ] - [ -0.0006259900000000, -0.0002109400000000, 0.0001846300000000 ] - [ -0.0018985300000000, -0.0020843800000000, 0.0003662600000000 ] - [ 0.0002692700000000, -0.0000907900000000, -0.0001853700000000 ] - [ 0.0004420400000000, -0.0003535000000000, 0.0000914200000000 ] - [ -0.0001579000000000, -0.0001075600000000, 0.0001078500000000 ] - [ -0.0000216000000000, -0.0002342200000000, -0.0000506800000000 ] - [ -0.0004922200000000, -0.0004419000000000, 0.0000695400000000 ] - [ 0.0006952700000000, -0.0009585100000000, 0.0000002000000000 ] - [ -0.0031424500000000, 0.0014554600000000, 0.0002865400000000 ] - [ -0.0004385700000000, -0.0000237400000000, -0.0001818300000000 ] - [ -0.0022446100000000, 0.0028074900000000, 0.0025736200000000 ] - [ 0.0003458600000000, -0.0003699100000000, 0.0000135400000000 ] - [ -0.0001462300000000, 0.0002348300000000, -0.0002257900000000 ] - [ -0.0006066900000000, 0.0002002100000000, -0.0013042000000000 ] - [ -0.0000480300000000, 0.0003336200000000, 0.0001519900000000 ] - [ 0.0010621400000000, -0.0021199600000000, 0.0016895100000000 ] - [ -0.0010589600000000, 0.0005416900000000, 0.0001805900000000 ] - [ 0.0014034600000000, 0.0011216300000000, 0.0004217800000000 ] - [ -0.0022392500000000, -0.0025604700000000, -0.0030397500000000 ] - [ 0.0001505400000000, -0.0004443700000000, -0.0001192800000000 ] - [ -0.0161171800000000, 0.0027993600000000, 0.0147802400000000 ] - [ -0.0003440900000000, -0.0007000900000000, 0.0003501000000000 ] - [ 0.0004286000000000, -0.0007393700000000, -0.0001556500000000 ] - [ 0.0001889000000000, -0.0002530500000000, 0.0002898900000000 ] - [ -0.0004074900000000, -0.0004198700000000, -0.0003643900000000 ] - [ -0.0008948300000000, -0.0005593100000000, 0.0001380700000000 ] - [ 0.0006886400000000, -0.0013049200000000, -0.0012191100000000 ] - [ 0.0039205000000000, -0.0009352300000000, 0.0043461700000000 ] - [ 0.0000881400000000, -0.0012567200000000, -0.0001022700000000 ] - [ 0.0007090600000000, 0.0000694400000000, 0.0000370500000000 ] - [ 0.0002744900000000, -0.0008430800000000, -0.0000737100000000 ] - [ 0.0049252500000000, 0.0035965200000000, -0.0023108000000000 ] - [ 0.0021202400000000, 0.0010846000000000, 0.0017076400000000 ] - [ -0.0002449100000000, -0.0006256400000000, 0.0016912400000000 ] - [ -0.0002838800000000, -0.0007293400000000, -0.0002182400000000 ] - [ -0.0174862300000000, 0.0052066700000000, 0.0039025300000000 ] - [ -0.0002012800000000, 0.0018104300000000, -0.0013065600000000 ] - [ 0.0001405300000000, 0.0007150400000000, -0.0115878500000000 ] - [ 0.0005737500000000, 0.0006480400000000, 0.0003581700000000 ] - [ 0.0007318500000000, -0.0001169600000000, -0.0000665600000000 ] - [ -0.0001306000000000, -0.0005251000000000, 0.0000964300000000 ] - [ 0.0011472500000000, 0.0004098900000000, 0.0003214600000000 ] - [ 0.0007911000000000, 0.0000066900000000, 0.0001981600000000 ] - [ 0.0044930600000000, -0.0011160100000000, -0.0016266100000000 ] - [ 0.0001974400000000, -0.0000684900000000, 0.0001760900000000 ] - [ 0.0000152500000000, -0.0000651300000000, 0.0000801800000000 ] - [ 0.0004478100000000, -0.0006093100000000, -0.0002250200000000 ] - [ 0.0003807200000000, -0.0002801400000000, -0.0000691400000000 ] - [ 0.0001810200000000, -0.0007708400000000, 0.0000363100000000 ] - [ -0.0045872500000000, 0.0011095400000000, 0.0007303800000000 ] - [ -0.0028162500000000, 0.0083075200000000, -0.0004394700000000 ] - [ -0.1685418400000000, 0.0755681500000000, 0.0497649400000000 ] - [ -0.0000730100000000, -0.0000938200000000, 0.0002443500000000 ] - [ -0.0004433900000000, -0.0009697100000000, -0.0001712100000000 ] - [ -0.0021615700000000, 0.0011277600000000, 0.0018162900000000 ] - [ -0.0002707500000000, -0.0001184000000000, -0.0007179300000000 ] - [ -0.0003265700000000, -0.0003445500000000, -0.0018186400000000 ] - [ -0.0002492400000000, 0.0004327700000000, 0.0000897000000000 ] - [ 0.0076073500000000, 0.0064192900000000, 0.0003082300000000 ] - [ 0.0000177400000000, 0.0000178300000000, -0.0000935200000000 ] - [ -0.0000653000000000, -0.0001756200000000, 0.0000355600000000 ] - [ -0.0000594900000000, 0.0003395400000000, -0.0006224100000000 ] - [ 0.0000770400000000, -0.0007496800000000, 0.0000644900000000 ] - [ -0.0014711700000000, -0.0036053300000000, 0.0029722800000000 ] - [ -0.0001064500000000, -0.0001841600000000, 0.0003512600000000 ] - [ 0.0012922300000000, -0.0009118400000000, -0.0008042900000000 ] - [ -0.0002588300000000, -0.0006400200000000, 0.0003692700000000 ] - [ 0.0000467800000000, -0.0007374500000000, -0.0000996000000000 ] - [ 0.0001326100000000, -0.0007825800000000, -0.0001175000000000 ] - [ 0.0016163800000000, 0.0015890800000000, -0.0001570100000000 ] - [ 0.0031994400000000, 0.0006304400000000, 0.0011379600000000 ] - [ 0.0004990300000000, 0.0012376400000000, 0.0001374100000000 ] - [ -0.0004265000000000, -0.0004788400000000, 0.0002695300000000 ] - [ -0.0002486500000000, 0.0002446500000000, 0.0001604000000000 ] - [ -0.0001971000000000, 0.0015668300000000, 0.0000262500000000 ] - [ -0.0023136600000000, -0.0011807000000000, -0.0004324400000000 ] - [ -0.0001917900000000, 0.0010014600000000, 0.0004941500000000 ] - [ 0.0001876800000000, 0.0003025400000000, -0.0001348800000000 ] - [ -0.0004563100000000, 0.0003019100000000, -0.0000515500000000 ] - [ -0.0001467500000000, 0.0002379400000000, 0.0001282300000000 ] - [ 0.0003129100000000, -0.0003579300000000, 0.0000868000000000 ] - [ 0.0013899800000000, 0.0050478300000000, 0.0001416000000000 ] - [ -0.0004249500000000, 0.0009497700000000, 0.0002341800000000 ] - [ -0.0002462000000000, 0.0004322300000000, 0.0007650100000000 ] - [ 0.0006465600000000, -0.0008154500000000, 0.0032101100000000 ] - [ -0.0061088500000000, -0.0022911000000000, 0.0036416200000000 ] - [ 0.0016634300000000, -0.0009409800000000, -0.0000418600000000 ] - [ -0.0019651100000000, 0.0001399500000000, 0.0002571700000000 ] - [ -0.0000540300000000, -0.0000530400000000, -0.0001373200000000 ] - [ -0.0001179600000000, 0.0000512600000000, 0.0016170500000000 ] - [ -0.0034969600000000, 0.0012305200000000, 0.0008217900000000 ] - [ -0.0047032600000000, 0.0171916200000000, 0.0341683000000000 ] - [ -0.0004514100000000, -0.0003339300000000, -0.0001958300000000 ] - [ 0.0008605500000000, 0.0002559300000000, -0.0000870500000000 ] - [ 0.0004453700000000, 0.0000766800000000, -0.0001012100000000 ] - [ 0.0013016500000000, 0.0005793400000000, 0.0004759800000000 ] - [ 0.2725714600000000, -0.1450490300000000, -0.0899835300000000 ] - [ -0.0001774500000000, -0.0001045700000000, 0.0003973400000000 ] - [ -0.0001233100000000, 0.0000262500000000, -0.0005640500000000 ] - [ -0.0012955800000000, -0.0000995200000000, 0.0000118700000000 ] - [ -0.0001156000000000, 0.0002198100000000, -0.0000295100000000 ] - [ -0.0002331300000000, 0.0002812900000000, 0.0000790800000000 ] - [ 0.0001725100000000, 0.0003088900000000, 0.0001771000000000 ] - [ 0.0009940400000000, 0.0001329600000000, -0.0004443200000000 ] - [ -0.0000922300000000, 0.0001957900000000, 0.0003073600000000 ] - [ -0.0532358500000000, 0.0399212400000000, -0.0143289500000000 ] - [ 0.0003002600000000, 0.0003314200000000, -0.0001083300000000 ] - [ -0.0012112700000000, 0.0035977400000000, -0.0033436900000000 ] - [ 0.0004729700000000, 0.0010853300000000, 0.0002789100000000 ] - [ 0.0001809800000000, -0.0001944600000000, -0.0003234100000000 ] - [ -0.0035580900000000, -0.0085982900000000, 0.0103393100000000 ] - [ -0.0022449800000000, 0.0015034500000000, -0.0025274200000000 ] - [ -0.0001916700000000, 0.0003878300000000, 0.0002290800000000 ] - [ -0.0002074700000000, 0.0004412000000000, -0.0001123000000000 ] - [ 0.0000849900000000, 0.0004714800000000, 0.0001052300000000 ] - [ -0.0001221100000000, -0.0000911200000000, -0.0000493000000000 ] - [ -0.0044339000000000, -0.0019545000000000, -0.0030096700000000 ] - [ -0.0001205900000000, 0.0008213600000000, -0.0004714600000000 ] - [ -0.0002304500000000, 0.0005039600000000, -0.0003897300000000 ] - [ -0.0019315400000000, 0.0034471400000000, 0.0040786400000000 ] - [ 0.0007623100000000, 0.0006882300000000, -0.0000446800000000 ] - [ -0.0001940300000000, 0.0002444000000000, -0.0001652600000000 ] - [ -0.0000730000000000, 0.0001866900000000, 0.0003354400000000 ] - [ -0.0001911000000000, 0.0011573500000000, 0.0007394700000000 ] - [ 0.0007107000000000, 0.0000433600000000, -0.0018831000000000 ] - [ -0.0010671300000000, 0.0005308200000000, -0.0002015900000000 ] - [ 0.0001193100000000, -0.0024713400000000, -0.0001568500000000 ] - [ 0.0003960900000000, 0.0002822000000000, -0.0000058100000000 ] - [ -0.0001335600000000, -0.0000495600000000, -0.0009541200000000 ] - [ 0.0000710800000000, 0.0009878600000000, -0.0001900200000000 ] - [ -0.0003694700000000, -0.0006196300000000, -0.0012283900000000 ] - [ -0.0003709600000000, -0.0000754800000000, 0.0000054200000000 ] - [ -0.0140221400000000, -0.0035300600000000, -0.0048939200000000 ] - [ 0.0003225600000000, -0.0003088000000000, -0.0003794800000000 ] - [ -0.0003824200000000, -0.0004347000000000, 0.0010482300000000 ] - [ -0.0021620200000000, -0.0005821400000000, 0.0010670500000000 ] - [ -0.0001647300000000, -0.0003964400000000, 0.0006057500000000 ] - [ -0.0034987200000000, -0.0026057800000000, 0.0013960600000000 ] - [ -0.0005629100000000, 0.0001431600000000, 0.0001130300000000 ] - [ -0.0011416800000000, -0.0003040000000000, 0.0004071400000000 ] - [ 0.0000907200000000, 0.0002438700000000, 0.0002715600000000 ] - [ 0.0000278200000000, 0.0003240100000000, 0.0000974900000000 ] - [ 0.0010102000000000, 0.0017111200000000, -0.0027425400000000 ] - [ 0.0003528400000000, -0.0000310400000000, -0.0002950600000000 ] - [ 0.0000818900000000, 0.0004199400000000, 0.0000174000000000 ] - [ -0.0007943800000000, -0.0006861300000000, 0.0000076600000000 ] - [ 0.0064724000000000, 0.0003180400000000, 0.0035482800000000 ] - [ -0.0003427200000000, -0.0009423800000000, -0.0002493400000000 ] - [ 0.0010520800000000, -0.0005145900000000, -0.0027292800000000 ] - [ -0.0003241900000000, -0.0003606700000000, 0.0012936500000000 ] - [ -0.0014492300000000, -0.0011049600000000, -0.0007344900000000 ] - [ 0.0001810800000000, -0.0000888600000000, 0.0000302500000000 ] - [ -0.0000180000000000, 0.0010873000000000, 0.0001528000000000 ] - [ 0.0041873600000000, -0.0010739900000000, -0.0001223300000000 ] - [ -0.0004318700000000, 0.0013639200000000, -0.0002817500000000 ] - [ -0.0012913500000000, 0.0007405200000000, 0.0003973400000000 ] - [ -0.0000993700000000, 0.0002318600000000, 0.0002811300000000 ] - [ -0.0000394000000000, 0.0001876200000000, 0.0004312400000000 ] - [ 0.0001799000000000, 0.0006398400000000, -0.0002561600000000 ] - [ -0.0002173300000000, 0.0000450700000000, 0.0000543900000000 ] - [ -0.0001388800000000, -0.0016729600000000, 0.0008695300000000 ] - [ 0.0010258400000000, -0.0022664100000000, -0.0016909900000000 ] - [ 0.0004211900000000, -0.0004579300000000, -0.0002357100000000 ] - [ -0.0006004400000000, 0.0007152000000000, -0.0006971700000000 ] - [ -0.0003142500000000, 0.0003382200000000, -0.0004303800000000 ] - [ 0.0026950800000000, -0.0020174100000000, 0.0004457700000000 ] - [ 0.0003240400000000, 0.0005064500000000, -0.0003622400000000 ]- atom: 106 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001048400000000, -0.0002990200000000, 0.0001618700000000 ] - [ -0.0000738400000000, -0.0001113500000000, 0.0000069000000000 ] - [ 0.0003398800000000, 0.0004217000000000, -0.0000868100000000 ] - [ 0.0000558700000000, -0.0002207700000000, 0.0000376300000000 ] - [ -0.0001425700000000, -0.0007403100000000, -0.0000561400000000 ] - [ 0.0000714500000000, -0.0003549700000000, -0.0003925200000000 ] - [ -0.0000743300000000, -0.0005846600000000, 0.0000485200000000 ] - [ 0.0011838700000000, 0.0022836300000000, 0.0004465000000000 ] - [ 0.0018191500000000, -0.0009417000000000, -0.0008924200000000 ] - [ -0.0006294200000000, -0.0011985300000000, 0.0001263100000000 ] - [ 0.0003438300000000, -0.0027532100000000, 0.0000958400000000 ] - [ 0.0000205300000000, -0.0003328900000000, 0.0000702800000000 ] - [ 0.0004483700000000, -0.0004808000000000, 0.0000785000000000 ] - [ 0.0000712200000000, -0.0000722000000000, 0.0002103800000000 ] - [ -0.0000147100000000, -0.0003630700000000, -0.0000250700000000 ] - [ -0.0003446600000000, -0.0005747000000000, 0.0000321200000000 ] - [ 0.0005481500000000, -0.0007936500000000, -0.0000915600000000 ] - [ -0.0015194800000000, 0.0018544800000000, 0.0016093000000000 ] - [ -0.0004319200000000, -0.0002276400000000, -0.0001424500000000 ] - [ -0.0022386400000000, 0.0011552900000000, -0.0011966900000000 ] - [ 0.0003017500000000, -0.0004725800000000, -0.0000153000000000 ] - [ -0.0001510700000000, 0.0000512500000000, -0.0003803600000000 ] - [ -0.0001501700000000, 0.0010295200000000, -0.0006940500000000 ] - [ -0.0000280100000000, 0.0004558800000000, -0.0000422800000000 ] - [ 0.0008627600000000, -0.0015238800000000, 0.0012498600000000 ] - [ -0.0006460900000000, -0.0021364900000000, 0.0007490000000000 ] - [ -0.0001235400000000, 0.0017348900000000, -0.0003016800000000 ] - [ 0.0001364800000000, -0.0032384200000000, -0.0038992900000000 ] - [ 0.0000942900000000, -0.0008322700000000, -0.0001298600000000 ] - [ -0.0033935400000000, 0.0111293800000000, 0.0102079500000000 ] - [ -0.0002769200000000, -0.0013819400000000, 0.0002755400000000 ] - [ 0.0003697900000000, -0.0011835800000000, -0.0002063500000000 ] - [ -0.0001559300000000, -0.0007417300000000, 0.0002380700000000 ] - [ -0.0004100700000000, -0.0010010200000000, -0.0002607500000000 ] - [ -0.0006076200000000, -0.0012508600000000, -0.0007659300000000 ] - [ 0.0004456600000000, -0.0013155800000000, -0.0009117200000000 ] - [ 0.0024544400000000, 0.0022625300000000, 0.0022305500000000 ] - [ 0.0001348100000000, -0.0022001300000000, -0.0001069100000000 ] - [ -0.0008573500000000, -0.0008210800000000, -0.0008409600000000 ] - [ 0.0001887300000000, -0.0012577300000000, -0.0000305700000000 ] - [ -0.0001070600000000, 0.0033995300000000, -0.0005173800000000 ] - [ 0.0010631100000000, 0.0013340600000000, 0.0004863000000000 ] - [ 0.0005582700000000, -0.0006671300000000, 0.0019530100000000 ] - [ -0.0002935900000000, -0.0010955000000000, -0.0001309400000000 ] - [ -0.0031978700000000, 0.0167361400000000, 0.0019643700000000 ] - [ 0.0000123200000000, 0.0024893000000000, -0.0003365400000000 ] - [ 0.0004269900000000, 0.0016065700000000, -0.0083604800000000 ] - [ -0.0003561500000000, 0.0005913800000000, 0.0012025300000000 ] - [ 0.0000167500000000, -0.0006500400000000, 0.0000372900000000 ] - [ 0.0000967500000000, -0.0009474900000000, 0.0001123400000000 ] - [ 0.0014057300000000, 0.0007253000000000, 0.0000589400000000 ] - [ -0.0007429900000000, 0.0003843900000000, 0.0003791000000000 ] - [ 0.0027295600000000, 0.0002884000000000, -0.0007589500000000 ] - [ -0.0002530400000000, -0.0004905500000000, 0.0004229700000000 ] - [ -0.0001007000000000, -0.0008467000000000, 0.0000841500000000 ] - [ 0.0004349300000000, -0.0007292300000000, -0.0003345600000000 ] - [ 0.0002148700000000, -0.0000917800000000, -0.0000298500000000 ] - [ 0.0002359500000000, -0.0011002700000000, 0.0001022900000000 ] - [ -0.0057899100000000, -0.0014543800000000, -0.0012730300000000 ] - [ -0.0036198500000000, 0.0007953700000000, 0.0014355400000000 ] - [ -0.0746690800000000, 0.0979057900000000, 0.0299039100000000 ] - [ -0.0001808800000000, -0.0002055100000000, 0.0002851200000000 ] - [ 0.0000565100000000, -0.0008092400000000, -0.0000646600000000 ] - [ -0.0008424500000000, 0.0022938800000000, 0.0014275500000000 ] - [ -0.0003573900000000, -0.0002908700000000, -0.0000639700000000 ] - [ -0.0005242800000000, 0.0007829900000000, -0.0007241000000000 ] - [ -0.0003731200000000, 0.0005445300000000, -0.0002042200000000 ] - [ 0.0025855400000000, 0.0027719000000000, -0.0004624600000000 ] - [ 0.0001262300000000, -0.0001343000000000, -0.0001151900000000 ] - [ -0.0004677400000000, -0.0010819500000000, 0.0002082200000000 ] - [ 0.0001437900000000, 0.0005239500000000, -0.0007635000000000 ] - [ 0.0003686100000000, -0.0011948600000000, 0.0000650900000000 ] - [ 0.0017983000000000, -0.0026538900000000, 0.0044828000000000 ] - [ 0.0001947100000000, -0.0004641900000000, 0.0002385600000000 ] - [ 0.0009819600000000, -0.0007053400000000, -0.0006477700000000 ] - [ -0.0004191300000000, -0.0009635700000000, 0.0003795400000000 ] - [ 0.0000204900000000, -0.0010211800000000, -0.0000855300000000 ] - [ -0.0000411600000000, -0.0011596200000000, -0.0001156700000000 ] - [ 0.0005035800000000, 0.0021925700000000, -0.0001860900000000 ] - [ 0.0016820000000000, 0.0010053000000000, 0.0007231700000000 ] - [ 0.0003228600000000, 0.0016534400000000, 0.0002358200000000 ] - [ 0.0004025900000000, -0.0000207300000000, 0.0003738900000000 ] - [ 0.0001805600000000, 0.0008909200000000, 0.0002311600000000 ] - [ -0.0005076200000000, 0.0018326400000000, 0.0000951500000000 ] - [ -0.0009098800000000, -0.0016565300000000, -0.0003917800000000 ] - [ -0.0001105600000000, 0.0007568500000000, 0.0003877100000000 ] - [ -0.0001312200000000, 0.0006762100000000, -0.0000019300000000 ] - [ -0.0004306100000000, 0.0004865000000000, -0.0000836200000000 ] - [ -0.0002192500000000, 0.0005254500000000, 0.0001963600000000 ] - [ 0.0004141700000000, -0.0000123300000000, -0.0000304300000000 ] - [ -0.0027707400000000, 0.0066698900000000, 0.0007159400000000 ] - [ -0.0001666100000000, 0.0012661800000000, 0.0003094800000000 ] - [ -0.0002648100000000, 0.0004621800000000, 0.0004718400000000 ] - [ 0.0004836600000000, -0.0011999800000000, 0.0020933100000000 ] - [ -0.0044613100000000, -0.0036004200000000, 0.0026996300000000 ] - [ 0.0017282100000000, 0.0004013300000000, 0.0001288900000000 ] - [ -0.0006758700000000, 0.0002013100000000, 0.0000286600000000 ] - [ 0.0000765900000000, 0.0003865900000000, -0.0002225000000000 ] - [ -0.0004976600000000, 0.0001051700000000, 0.0019688000000000 ] - [ -0.0017642800000000, 0.0005498500000000, 0.0005471800000000 ] - [ -0.0167079200000000, -0.0010105200000000, 0.0286098900000000 ] - [ -0.0000919800000000, -0.0003086300000000, 0.0002563300000000 ] - [ 0.0006697300000000, 0.0009699700000000, 0.0001187200000000 ] - [ -0.0002017300000000, 0.0004856200000000, -0.0000492100000000 ] - [ 0.0004736200000000, 0.0004322700000000, 0.0006264900000000 ] - [ 0.1430855200000000, -0.1258693900000000, -0.0626182300000000 ] - [ -0.0001571100000000, -0.0001360600000000, 0.0003076800000000 ] - [ 0.0013884500000000, 0.0007177800000000, -0.0008618700000000 ] - [ 0.0001692400000000, -0.0008312100000000, -0.0003882100000000 ] - [ -0.0001571200000000, 0.0002570900000000, 0.0000377100000000 ] - [ -0.0001368000000000, 0.0005030300000000, 0.0000218000000000 ] - [ 0.0001088300000000, 0.0005019800000000, 0.0001514200000000 ] - [ 0.0006679400000000, 0.0014898200000000, -0.0001437800000000 ] - [ 0.0000647000000000, 0.0005796200000000, 0.0002810700000000 ] - [ -0.0393068200000000, 0.0010473900000000, -0.0070879200000000 ] - [ 0.0004056300000000, 0.0005179100000000, -0.0001323000000000 ] - [ -0.0023939900000000, 0.0007505500000000, -0.0025142600000000 ] - [ 0.0002522800000000, 0.0010478500000000, 0.0003379200000000 ] - [ 0.0000716400000000, 0.0002357100000000, -0.0002957800000000 ] - [ 0.0038848400000000, -0.0042988700000000, -0.0016283500000000 ] - [ -0.0015291800000000, 0.0009701700000000, -0.0012362400000000 ] - [ -0.0002301200000000, 0.0005795000000000, 0.0001752400000000 ] - [ -0.0001118200000000, 0.0008219600000000, -0.0000828100000000 ] - [ 0.0001817300000000, 0.0009325500000000, 0.0001777600000000 ] - [ -0.0000671900000000, 0.0001248100000000, -0.0000241000000000 ] - [ -0.0017848100000000, -0.0013025200000000, -0.0005537500000000 ] - [ -0.0002030600000000, 0.0012867800000000, -0.0005610100000000 ] - [ -0.0002321400000000, 0.0005456400000000, -0.0003001400000000 ] - [ -0.0015961400000000, 0.0011502200000000, 0.0022318600000000 ] - [ 0.0005741300000000, 0.0011395100000000, -0.0000571400000000 ] - [ -0.0002706400000000, 0.0005018900000000, -0.0001419500000000 ] - [ 0.0001132000000000, 0.0003891800000000, 0.0000740300000000 ] - [ -0.0003495600000000, 0.0007233200000000, 0.0004115500000000 ] - [ -0.0003812600000000, -0.0007802400000000, -0.0019413000000000 ] - [ -0.0007879800000000, 0.0006693500000000, -0.0002533700000000 ] - [ 0.0015629200000000, 0.0003831000000000, -0.0002675300000000 ] - [ 0.0002480500000000, 0.0005523000000000, -0.0000523100000000 ] - [ -0.0001641600000000, -0.0003132400000000, -0.0003785900000000 ] - [ 0.0001246000000000, 0.0012372300000000, -0.0002103700000000 ] - [ -0.0007524800000000, -0.0015538500000000, -0.0003609900000000 ] - [ -0.0004315300000000, 0.0000221900000000, -0.0000306500000000 ] - [ -0.0031676200000000, -0.0048725500000000, -0.0024136900000000 ] - [ 0.0001966800000000, 0.0003073200000000, -0.0013123100000000 ] - [ 0.0001193200000000, -0.0010304300000000, 0.0007391100000000 ] - [ -0.0014989200000000, -0.0009952100000000, 0.0010854100000000 ] - [ -0.0002749200000000, -0.0006328800000000, 0.0004176000000000 ] - [ -0.0012208700000000, -0.0015609500000000, 0.0006946800000000 ] - [ -0.0004619800000000, 0.0003410500000000, 0.0001350100000000 ] - [ -0.0005202600000000, -0.0002702400000000, 0.0002419500000000 ] - [ 0.0000513500000000, 0.0004409600000000, 0.0002037400000000 ] - [ 0.0000035100000000, 0.0004620400000000, 0.0001404300000000 ] - [ 0.0000085600000000, 0.0017234400000000, -0.0029331400000000 ] - [ 0.0003596400000000, 0.0001459500000000, -0.0002676400000000 ] - [ 0.0005552800000000, 0.0010444500000000, -0.0000286900000000 ] - [ -0.0010335000000000, -0.0011400600000000, 0.0003564500000000 ] - [ 0.0026839900000000, 0.0022592200000000, 0.0103482300000000 ] - [ 0.0004721400000000, -0.0003183500000000, 0.0004161700000000 ] - [ 0.0006475700000000, -0.0009041500000000, -0.0021347300000000 ] - [ 0.0003672800000000, -0.0007955800000000, -0.0002711500000000 ] - [ -0.0006216500000000, -0.0013980100000000, -0.0004999300000000 ] - [ 0.0001893000000000, 0.0002836100000000, -0.0007978900000000 ] - [ -0.0000530900000000, 0.0014472800000000, 0.0001731300000000 ] - [ 0.0021985200000000, 0.0015257100000000, -0.0029510100000000 ] - [ -0.0002540100000000, 0.0008893900000000, -0.0002619300000000 ] - [ -0.0009297500000000, 0.0007664400000000, 0.0003507900000000 ] - [ -0.0001377000000000, 0.0002891200000000, 0.0005000300000000 ] - [ -0.0000157700000000, 0.0003107200000000, 0.0004022600000000 ] - [ -0.0000362600000000, 0.0009701700000000, -0.0002618800000000 ] - [ 0.0000250300000000, 0.0001996300000000, -0.0000288100000000 ] - [ 0.0007906300000000, -0.0021800700000000, 0.0000112200000000 ] - [ 0.0018951500000000, -0.0018977500000000, 0.0004828200000000 ] - [ 0.0004973300000000, -0.0006865500000000, -0.0001808600000000 ] - [ -0.0005021700000000, 0.0002365800000000, -0.0004838400000000 ] - [ -0.0002189800000000, 0.0005661200000000, -0.0003934200000000 ] - [ 0.0016244500000000, -0.0024784800000000, 0.0002683600000000 ] - [ 0.0005154100000000, 0.0008302200000000, -0.0003306400000000 ]- atom: 106 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000833600000000, 0.0000863900000000, 0.0000213600000000 ] - [ -0.0000524300000000, 0.0005503300000000, -0.0000647300000000 ] - [ 0.0002759300000000, -0.0004337200000000, -0.0000598900000000 ] - [ 0.0000363100000000, -0.0004434900000000, 0.0002427200000000 ] - [ 0.0000505900000000, 0.0000779900000000, -0.0002241800000000 ] - [ -0.0002623800000000, 0.0001422600000000, 0.0002098200000000 ] - [ -0.0001158700000000, 0.0008009600000000, -0.0002335800000000 ] - [ -0.0003291400000000, -0.0019615200000000, -0.0002319500000000 ] - [ -0.0017714300000000, 0.0008407900000000, 0.0007829200000000 ] - [ 0.0005745900000000, 0.0013096300000000, -0.0000124300000000 ] - [ -0.0002356700000000, 0.0034078300000000, 0.0001804800000000 ] - [ 0.0001053100000000, -0.0001042800000000, -0.0000124000000000 ] - [ 0.0004174800000000, 0.0001460500000000, 0.0001379400000000 ] - [ -0.0000117800000000, 0.0001771000000000, -0.0003248900000000 ] - [ -0.0000440300000000, 0.0002600900000000, 0.0001389300000000 ] - [ -0.0002706300000000, 0.0005673000000000, 0.0001133100000000 ] - [ -0.0006784300000000, 0.0003584300000000, 0.0000347400000000 ] - [ 0.0006283800000000, -0.0022768900000000, -0.0017443700000000 ] - [ -0.0004344200000000, 0.0005651200000000, -0.0000738300000000 ] - [ 0.0023904800000000, -0.0006860100000000, 0.0012804400000000 ] - [ 0.0003144800000000, 0.0004846000000000, -0.0001311400000000 ] - [ 0.0000592100000000, 0.0006132600000000, 0.0001012800000000 ] - [ -0.0004640900000000, -0.0010243900000000, 0.0008409300000000 ] - [ 0.0002186200000000, -0.0002438200000000, 0.0002257100000000 ] - [ -0.0003409700000000, 0.0012140500000000, -0.0003347800000000 ] - [ 0.0007147000000000, 0.0016618800000000, -0.0004600700000000 ] - [ -0.0002525800000000, -0.0027698100000000, 0.0009679000000000 ] - [ -0.0006572700000000, 0.0029237200000000, 0.0030083800000000 ] - [ -0.0001647700000000, 0.0013103600000000, -0.0001587000000000 ] - [ 0.0035627100000000, -0.0107616900000000, -0.0112217600000000 ] - [ 0.0000918900000000, 0.0017016100000000, 0.0005970300000000 ] - [ -0.0002551400000000, 0.0015647800000000, 0.0002952000000000 ] - [ -0.0002184100000000, 0.0017729800000000, 0.0004264100000000 ] - [ -0.0001134400000000, 0.0013263800000000, -0.0006596600000000 ] - [ 0.0004942500000000, 0.0008790700000000, 0.0006770900000000 ] - [ -0.0002624200000000, 0.0010082500000000, 0.0000440400000000 ] - [ -0.0020663100000000, -0.0020939800000000, -0.0023285100000000 ] - [ 0.0002358400000000, 0.0011803400000000, -0.0005583800000000 ] - [ 0.0007868200000000, 0.0003457600000000, 0.0005587100000000 ] - [ 0.0002088000000000, 0.0010791100000000, -0.0000555900000000 ] - [ -0.0000082800000000, -0.0030390900000000, 0.0004332000000000 ] - [ -0.0005458000000000, -0.0010180200000000, 0.0004333200000000 ] - [ -0.0004452000000000, 0.0002921300000000, -0.0018777400000000 ] - [ -0.0001043700000000, 0.0012855200000000, 0.0002182800000000 ] - [ 0.0032614400000000, -0.0170977000000000, -0.0020674400000000 ] - [ 0.0003591600000000, -0.0014749800000000, -0.0003287700000000 ] - [ -0.0003597100000000, -0.0011400800000000, 0.0087104700000000 ] - [ 0.0001718300000000, -0.0009092000000000, -0.0003374800000000 ] - [ -0.0003369200000000, 0.0001751500000000, -0.0000909800000000 ] - [ -0.0000244400000000, 0.0013475200000000, 0.0000563500000000 ] - [ -0.0009628000000000, -0.0006591300000000, -0.0007575700000000 ] - [ 0.0010416700000000, -0.0005188200000000, 0.0001636300000000 ] - [ -0.0023213900000000, 0.0003765100000000, 0.0005256300000000 ] - [ -0.0001686300000000, 0.0011553000000000, -0.0001846300000000 ] - [ 0.0004176800000000, 0.0003727900000000, -0.0000310200000000 ] - [ -0.0001361700000000, -0.0000495200000000, -0.0001203200000000 ] - [ -0.0001830800000000, 0.0007046400000000, -0.0001872600000000 ] - [ 0.0001843400000000, 0.0004420800000000, -0.0003429300000000 ] - [ 0.0057165000000000, 0.0018372600000000, 0.0011097300000000 ] - [ 0.0035725500000000, -0.0013894200000000, -0.0012097700000000 ] - [ 0.0708625900000000, -0.0967970200000000, -0.0287926200000000 ] - [ 0.0004755100000000, 0.0003392100000000, 0.0002583000000000 ] - [ -0.0000874700000000, 0.0014280200000000, 0.0002823500000000 ] - [ 0.0004289200000000, -0.0029668800000000, -0.0011927300000000 ] - [ 0.0000659200000000, 0.0001594100000000, -0.0004790500000000 ] - [ 0.0007804900000000, -0.0010458700000000, 0.0005858500000000 ] - [ 0.0001206300000000, -0.0002871000000000, 0.0003465800000000 ] - [ -0.0022904200000000, -0.0019915900000000, 0.0000068200000000 ] - [ -0.0004282100000000, 0.0009169100000000, 0.0005720700000000 ] - [ 0.0007217000000000, 0.0013432500000000, -0.0003511800000000 ] - [ -0.0005951300000000, -0.0005955100000000, 0.0014611200000000 ] - [ -0.0000541000000000, 0.0016775900000000, -0.0000111600000000 ] - [ -0.0021152500000000, 0.0018860100000000, -0.0040594100000000 ] - [ -0.0006462000000000, 0.0005346000000000, 0.0004542900000000 ] - [ -0.0005359200000000, 0.0006393800000000, -0.0000453700000000 ] - [ 0.0001666700000000, 0.0007075700000000, -0.0002401400000000 ] - [ -0.0000926900000000, 0.0006282400000000, -0.0000832400000000 ] - [ 0.0000737200000000, 0.0005503600000000, -0.0001006100000000 ] - [ -0.0004321300000000, -0.0026016000000000, 0.0003548100000000 ] - [ -0.0020126800000000, -0.0005364100000000, -0.0007785700000000 ] - [ 0.0001507000000000, -0.0008575300000000, -0.0001722400000000 ] - [ -0.0005355700000000, 0.0000021200000000, 0.0004572600000000 ] - [ -0.0007335100000000, -0.0010649500000000, 0.0002425100000000 ] - [ 0.0002362800000000, -0.0010628600000000, -0.0003403400000000 ] - [ 0.0009833000000000, 0.0015421000000000, 0.0010558500000000 ] - [ 0.0005971600000000, -0.0006900600000000, -0.0001737800000000 ] - [ 0.0006201700000000, -0.0007861900000000, -0.0002518000000000 ] - [ -0.0001298500000000, -0.0004018800000000, -0.0001240100000000 ] - [ -0.0001725200000000, -0.0005981600000000, 0.0002168300000000 ] - [ 0.0000595300000000, -0.0007905000000000, 0.0000962600000000 ] - [ 0.0030309400000000, -0.0065998100000000, -0.0004507600000000 ] - [ -0.0001088100000000, -0.0001836500000000, 0.0000374000000000 ] - [ -0.0002164200000000, 0.0000477000000000, 0.0003622100000000 ] - [ 0.0000846600000000, 0.0011767000000000, -0.0015307500000000 ] - [ 0.0043417600000000, 0.0024386900000000, -0.0023806500000000 ] - [ -0.0015115100000000, -0.0015159900000000, -0.0005018100000000 ] - [ 0.0009520900000000, 0.0005756000000000, 0.0002147000000000 ] - [ 0.0000758300000000, -0.0015683900000000, -0.0001157900000000 ] - [ 0.0001071600000000, -0.0000348900000000, -0.0015643900000000 ] - [ 0.0013837700000000, 0.0003158400000000, -0.0006097500000000 ] - [ 0.0167701600000000, 0.0007951600000000, -0.0294282000000000 ] - [ -0.0004791600000000, 0.0003388100000000, -0.0008304300000000 ] - [ -0.0001007900000000, -0.0009438700000000, 0.0004545400000000 ] - [ -0.0000194500000000, -0.0016144400000000, 0.0004181300000000 ] - [ -0.0002047900000000, -0.0015197000000000, -0.0009780900000000 ] - [ -0.1399397600000000, 0.1257216500000000, 0.0613910100000000 ] - [ -0.0003272200000000, 0.0002085500000000, -0.0005229600000000 ] - [ -0.0009135300000000, -0.0002094800000000, 0.0000283400000000 ] - [ 0.0000685100000000, 0.0007449000000000, 0.0001970900000000 ] - [ -0.0001758700000000, 0.0002878900000000, 0.0005514100000000 ] - [ -0.0001968700000000, -0.0010525400000000, 0.0005667300000000 ] - [ 0.0004582800000000, -0.0005940600000000, 0.0000557600000000 ] - [ -0.0003383800000000, -0.0009476300000000, -0.0004387300000000 ] - [ 0.0000047200000000, -0.0004584200000000, 0.0003826100000000 ] - [ 0.0386006800000000, -0.0018344400000000, 0.0079171900000000 ] - [ -0.0001691300000000, -0.0004305500000000, -0.0000610100000000 ] - [ 0.0029766600000000, -0.0006607900000000, 0.0027351900000000 ] - [ 0.0000712800000000, -0.0009159600000000, -0.0000058700000000 ] - [ -0.0003457200000000, -0.0010137700000000, 0.0000537300000000 ] - [ -0.0035874700000000, 0.0041379400000000, 0.0019782400000000 ] - [ 0.0010687800000000, -0.0001764800000000, 0.0011811600000000 ] - [ -0.0000453700000000, -0.0008235600000000, 0.0001561400000000 ] - [ -0.0002141000000000, -0.0009655800000000, -0.0002502000000000 ] - [ 0.0000358600000000, -0.0006037600000000, -0.0000611100000000 ] - [ -0.0003197300000000, -0.0009936000000000, -0.0000350800000000 ] - [ 0.0015575300000000, 0.0011694000000000, 0.0002692200000000 ] - [ 0.0001342100000000, -0.0014135900000000, -0.0001012300000000 ] - [ 0.0000015600000000, -0.0004107000000000, 0.0000189000000000 ] - [ 0.0025451600000000, -0.0010107500000000, -0.0021189300000000 ] - [ 0.0003900900000000, -0.0005553500000000, -0.0000750300000000 ] - [ -0.0002145800000000, -0.0005763500000000, -0.0000739800000000 ] - [ -0.0003517200000000, -0.0004806400000000, 0.0001179300000000 ] - [ 0.0001346600000000, -0.0010596100000000, -0.0005334800000000 ] - [ 0.0005341700000000, 0.0019659700000000, 0.0016092500000000 ] - [ -0.0001504400000000, -0.0005304700000000, 0.0001309200000000 ] - [ -0.0012861100000000, 0.0006958900000000, -0.0000815200000000 ] - [ 0.0006959400000000, -0.0006990200000000, 0.0001760700000000 ] - [ 0.0005585900000000, 0.0002456100000000, -0.0000332100000000 ] - [ 0.0000940100000000, -0.0001136300000000, -0.0001573700000000 ] - [ -0.0001852400000000, 0.0014181400000000, 0.0002401500000000 ] - [ 0.0001579000000000, -0.0011091600000000, 0.0003800200000000 ] - [ 0.0025857600000000, 0.0048010800000000, 0.0022123800000000 ] - [ -0.0002664500000000, -0.0001846200000000, 0.0006550900000000 ] - [ -0.0006741500000000, 0.0012081500000000, -0.0002685500000000 ] - [ 0.0012861700000000, 0.0021269500000000, -0.0007216100000000 ] - [ 0.0007638300000000, 0.0007422000000000, -0.0006722700000000 ] - [ 0.0009913400000000, 0.0014278900000000, -0.0002680000000000 ] - [ -0.0005025600000000, -0.0009312400000000, -0.0000034400000000 ] - [ 0.0000505300000000, -0.0005330900000000, -0.0003097000000000 ] - [ 0.0001777500000000, -0.0005813100000000, 0.0000761800000000 ] - [ 0.0002300100000000, -0.0005981100000000, -0.0005670500000000 ] - [ 0.0002253000000000, -0.0015988600000000, 0.0025269300000000 ] - [ 0.0001216700000000, -0.0006581700000000, -0.0005689900000000 ] - [ -0.0001671300000000, -0.0001797600000000, 0.0000875100000000 ] - [ 0.0005506900000000, 0.0010382900000000, -0.0001032200000000 ] - [ -0.0029702500000000, -0.0019911700000000, -0.0100646600000000 ] - [ -0.0001989000000000, -0.0004574000000000, -0.0001721500000000 ] - [ -0.0001598800000000, 0.0008384300000000, 0.0023688600000000 ] - [ -0.0000360900000000, 0.0002536500000000, -0.0003150300000000 ] - [ 0.0009017100000000, 0.0011645100000000, 0.0001702600000000 ] - [ -0.0000585100000000, -0.0003023000000000, -0.0000377400000000 ] - [ -0.0000983800000000, -0.0002731500000000, 0.0001648200000000 ] - [ -0.0024167400000000, -0.0011842100000000, 0.0028062400000000 ] - [ 0.0006478400000000, -0.0008283600000000, -0.0001530800000000 ] - [ 0.0004481500000000, -0.0006650100000000, -0.0000994900000000 ] - [ -0.0000969100000000, -0.0001536100000000, -0.0000731800000000 ] - [ -0.0001153600000000, -0.0002936100000000, 0.0004295800000000 ] - [ 0.0003115200000000, -0.0007333800000000, -0.0000693400000000 ] - [ 0.0001922300000000, -0.0005323300000000, 0.0001466900000000 ] - [ 0.0001706000000000, 0.0016027100000000, -0.0001413100000000 ] - [ -0.0028575500000000, 0.0024950500000000, -0.0003505000000000 ] - [ 0.0000548200000000, 0.0005172500000000, -0.0002914600000000 ] - [ 0.0001785100000000, -0.0000977900000000, 0.0001533000000000 ] - [ -0.0003529400000000, -0.0005963400000000, -0.0001805200000000 ] - [ -0.0012459300000000, 0.0016220600000000, -0.0002130700000000 ] - [ 0.0000383100000000, -0.0006586300000000, -0.0001410800000000 ]- atom: 106 displacement: [ -0.0035230240541542, 0.0000000000000000, 0.0093588621911988 ] forces: - [ 0.0004616300000000, 0.0001621400000000, 0.0006354600000000 ] - [ -0.0001073900000000, 0.0001382500000000, -0.0001802100000000 ] - [ 0.0002711700000000, 0.0001103500000000, -0.0006933300000000 ] - [ 0.0004407400000000, -0.0002119800000000, -0.0009925200000000 ] - [ -0.0000225800000000, -0.0003341400000000, 0.0000601600000000 ] - [ 0.0000546300000000, -0.0004329200000000, -0.0006051100000000 ] - [ -0.0001048500000000, -0.0000713000000000, 0.0000920100000000 ] - [ 0.0019394900000000, 0.0011446900000000, 0.0014190800000000 ] - [ 0.0026310300000000, -0.0011790400000000, 0.0003025600000000 ] - [ -0.0003645000000000, -0.0000392800000000, 0.0006745400000000 ] - [ -0.0007742700000000, -0.0012712700000000, 0.0018522000000000 ] - [ 0.0002327300000000, 0.0000513300000000, -0.0004880200000000 ] - [ 0.0004198400000000, -0.0002999000000000, -0.0000874200000000 ] - [ -0.0001319100000000, 0.0003978300000000, -0.0005271600000000 ] - [ 0.0000220200000000, -0.0001866500000000, -0.0002034400000000 ] - [ -0.0004067700000000, -0.0004219300000000, 0.0002249300000000 ] - [ 0.0003732200000000, -0.0006838600000000, 0.0003157600000000 ] - [ -0.0014793900000000, 0.0024748100000000, 0.0011599900000000 ] - [ -0.0004124400000000, 0.0000925800000000, -0.0002660500000000 ] - [ -0.0035770400000000, -0.0008090900000000, 0.0010493000000000 ] - [ 0.0003078500000000, -0.0001880500000000, 0.0001199900000000 ] - [ -0.0001400600000000, 0.0000740800000000, -0.0005334200000000 ] - [ 0.0004599900000000, -0.0001813700000000, -0.0019182400000000 ] - [ -0.0003861300000000, 0.0001851800000000, -0.0007218100000000 ] - [ 0.0003596900000000, 0.0003036400000000, 0.0015031100000000 ] - [ -0.0003612000000000, 0.0022560100000000, 0.0001722000000000 ] - [ -0.0008650900000000, -0.0001046800000000, -0.0014835000000000 ] - [ 0.0000290700000000, -0.0040679700000000, -0.0014360200000000 ] - [ 0.0000611400000000, 0.0000169300000000, -0.0002921200000000 ] - [ -0.0110002800000000, 0.0078095200000000, -0.0018402600000000 ] - [ -0.0002535500000000, -0.0004775300000000, 0.0004323000000000 ] - [ 0.0002852500000000, -0.0005204700000000, -0.0000154300000000 ] - [ -0.0000881000000000, -0.0002086800000000, 0.0006446600000000 ] - [ -0.0002727500000000, 0.0000744000000000, -0.0003977000000000 ] - [ -0.0012396100000000, -0.0017260500000000, -0.0006416500000000 ] - [ 0.0009674500000000, -0.0018192100000000, -0.0011965900000000 ] - [ 0.0010573600000000, 0.0008118700000000, 0.0028313000000000 ] - [ 0.0001649700000000, -0.0009285500000000, 0.0003790000000000 ] - [ -0.0009384000000000, -0.0014551500000000, 0.0002888000000000 ] - [ 0.0001572100000000, -0.0004132000000000, -0.0004219700000000 ] - [ 0.0044703000000000, 0.0023011900000000, -0.0008620800000000 ] - [ 0.0014351800000000, 0.0001134100000000, -0.0003696800000000 ] - [ -0.0005086100000000, 0.0009591500000000, 0.0002707000000000 ] - [ -0.0002356300000000, -0.0007646700000000, -0.0007179700000000 ] - [ -0.0138132600000000, 0.0061801500000000, 0.0156776900000000 ] - [ 0.0001446600000000, 0.0022726300000000, -0.0034840600000000 ] - [ 0.0018244500000000, -0.0002004600000000, -0.0174868400000000 ] - [ 0.0008422600000000, 0.0012817200000000, -0.0001652100000000 ] - [ 0.0000617500000000, -0.0007984200000000, 0.0000350000000000 ] - [ -0.0000733800000000, 0.0002745200000000, 0.0001003600000000 ] - [ -0.0011495400000000, 0.0003182500000000, -0.0034818100000000 ] - [ 0.0008060400000000, 0.0000875700000000, 0.0019010700000000 ] - [ 0.0030598300000000, -0.0007371700000000, -0.0011575000000000 ] - [ 0.0000467800000000, 0.0003145300000000, 0.0000755600000000 ] - [ 0.0003349800000000, 0.0007036600000000, 0.0000711800000000 ] - [ 0.0001510900000000, -0.0007713400000000, -0.0009407800000000 ] - [ 0.0001987000000000, 0.0003264800000000, -0.0001096200000000 ] - [ 0.0001531600000000, -0.0007630300000000, 0.0000441200000000 ] - [ -0.0074050400000000, -0.0035475700000000, 0.0004339700000000 ] - [ -0.0000862900000000, 0.0082140000000000, -0.0001248300000000 ] - [ -0.1018025100000000, 0.0528768800000000, 0.0867234200000000 ] - [ -0.0000083000000000, -0.0000009800000000, -0.0000894100000000 ] - [ 0.0000122900000000, -0.0021059000000000, -0.0002832600000000 ] - [ -0.0032452700000000, 0.0008109000000000, 0.0002425000000000 ] - [ -0.0001223600000000, 0.0000867600000000, -0.0014293700000000 ] - [ -0.0006132000000000, -0.0006285400000000, -0.0034476100000000 ] - [ -0.0005278800000000, 0.0003642900000000, -0.0010437000000000 ] - [ 0.0028278700000000, 0.0015965200000000, 0.0011993000000000 ] - [ -0.0000991000000000, 0.0000522600000000, -0.0002725300000000 ] - [ -0.0000845600000000, -0.0008373300000000, 0.0013854800000000 ] - [ 0.0001079200000000, 0.0005539000000000, -0.0014472900000000 ] - [ 0.0001896500000000, -0.0006015400000000, 0.0000797800000000 ] - [ -0.0005716300000000, -0.0018271300000000, 0.0032287800000000 ] - [ -0.0001116400000000, -0.0000324400000000, 0.0007244200000000 ] - [ 0.0010231900000000, -0.0004170300000000, 0.0004011900000000 ] - [ -0.0001774200000000, -0.0004864700000000, 0.0005259900000000 ] - [ 0.0000610800000000, -0.0005729700000000, -0.0000991600000000 ] - [ -0.0000277500000000, -0.0008254200000000, -0.0000968400000000 ] - [ 0.0022309300000000, 0.0016352100000000, -0.0002108100000000 ] - [ -0.0000308700000000, 0.0002785600000000, 0.0004607100000000 ] - [ 0.0003819700000000, 0.0012729600000000, -0.0000361300000000 ] - [ -0.0000513800000000, -0.0001928600000000, -0.0012099400000000 ] - [ -0.0001459400000000, 0.0004884300000000, -0.0002220200000000 ] - [ -0.0004336300000000, 0.0015024700000000, -0.0001425600000000 ] - [ -0.0006521600000000, -0.0003794800000000, 0.0002777900000000 ] - [ -0.0002960300000000, 0.0009108300000000, -0.0003023700000000 ] - [ 0.0002601600000000, 0.0001285600000000, -0.0003564900000000 ] - [ -0.0002631700000000, 0.0001992900000000, 0.0002901200000000 ] - [ -0.0001574000000000, 0.0000398200000000, -0.0001586900000000 ] - [ 0.0000732300000000, -0.0007218400000000, 0.0001791600000000 ] - [ 0.0005098100000000, 0.0033610600000000, -0.0020222700000000 ] - [ -0.0001100700000000, 0.0011089400000000, 0.0001999800000000 ] - [ -0.0003158200000000, 0.0003775900000000, 0.0012608700000000 ] - [ 0.0004801600000000, -0.0009915800000000, 0.0055501900000000 ] - [ -0.0043135100000000, -0.0014567800000000, 0.0020346800000000 ] - [ 0.0020472100000000, 0.0022605500000000, -0.0005712800000000 ] - [ -0.0002254000000000, -0.0004522000000000, 0.0000863000000000 ] - [ -0.0000095100000000, -0.0004117300000000, -0.0000416400000000 ] - [ -0.0005191200000000, 0.0002907900000000, 0.0022008800000000 ] - [ -0.0021025000000000, 0.0011604900000000, 0.0006392900000000 ] - [ -0.0325158300000000, 0.0326423100000000, 0.0470314200000000 ] - [ 0.0000504600000000, 0.0000989900000000, 0.0008893500000000 ] - [ 0.0005270900000000, 0.0000293400000000, -0.0010931300000000 ] - [ 0.0003079900000000, -0.0007807500000000, -0.0000717600000000 ] - [ 0.0012075100000000, 0.0018631000000000, 0.0012789900000000 ] - [ 0.1790384400000000, -0.1096276100000000, -0.1370863200000000 ] - [ -0.0001898500000000, -0.0001722300000000, 0.0010358000000000 ] - [ -0.0009176100000000, -0.0004974900000000, -0.0011954100000000 ] - [ -0.0004860900000000, -0.0003342600000000, -0.0007028600000000 ] - [ -0.0000565600000000, 0.0003518600000000, 0.0008548500000000 ] - [ -0.0002054300000000, 0.0001312200000000, -0.0000889700000000 ] - [ 0.0002939900000000, 0.0001937300000000, 0.0003796300000000 ] - [ 0.0007788000000000, 0.0015767200000000, -0.0011191200000000 ] - [ 0.0000719100000000, 0.0007000400000000, 0.0002075900000000 ] - [ -0.0074885200000000, 0.0082302900000000, -0.0225488700000000 ] - [ 0.0001934700000000, 0.0001787400000000, 0.0000882900000000 ] - [ -0.0007664900000000, 0.0016057100000000, -0.0034124400000000 ] - [ 0.0003860600000000, 0.0019115800000000, 0.0003624100000000 ] - [ 0.0000271100000000, -0.0007576700000000, -0.0002309600000000 ] - [ -0.0084441900000000, -0.0080775400000000, 0.0095719800000000 ] - [ 0.0008949300000000, -0.0010134400000000, -0.0010047900000000 ] - [ -0.0001978200000000, 0.0003210700000000, 0.0002493700000000 ] - [ -0.0001289400000000, 0.0004349800000000, -0.0001346700000000 ] - [ 0.0001665400000000, 0.0007389600000000, 0.0001348000000000 ] - [ -0.0000856900000000, -0.0001859600000000, -0.0000720900000000 ] - [ -0.0021759000000000, -0.0006553400000000, -0.0018878000000000 ] - [ -0.0001471500000000, 0.0007001400000000, -0.0005037300000000 ] - [ 0.0000294000000000, 0.0001345700000000, 0.0003047300000000 ] - [ -0.0014864700000000, 0.0026041900000000, 0.0025157800000000 ] - [ 0.0005502800000000, 0.0002273000000000, -0.0001565300000000 ] - [ -0.0002534800000000, 0.0001350300000000, -0.0004568700000000 ] - [ -0.0003235000000000, 0.0000585100000000, 0.0007158800000000 ] - [ -0.0007540600000000, 0.0021457300000000, 0.0011751700000000 ] - [ 0.0015509300000000, -0.0009864600000000, -0.0002748100000000 ] - [ -0.0006544900000000, 0.0000639000000000, -0.0001147700000000 ] - [ -0.0013712800000000, -0.0031552400000000, -0.0002567500000000 ] - [ 0.0003984700000000, 0.0001809100000000, 0.0000394600000000 ] - [ 0.0001602300000000, -0.0005217000000000, 0.0023265100000000 ] - [ 0.0000521700000000, 0.0008419200000000, -0.0001679400000000 ] - [ 0.0008378200000000, -0.0002047000000000, -0.0002037900000000 ] - [ -0.0002127200000000, -0.0005887200000000, 0.0001349400000000 ] - [ -0.0036088100000000, -0.0019706100000000, -0.0047716900000000 ] - [ 0.0001458600000000, -0.0009868900000000, 0.0004132900000000 ] - [ 0.0003041700000000, -0.0004053600000000, 0.0019454800000000 ] - [ -0.0031563400000000, -0.0005033200000000, 0.0016793700000000 ] - [ -0.0006675300000000, -0.0005498600000000, 0.0012459300000000 ] - [ -0.0015008500000000, -0.0006515900000000, -0.0011145400000000 ] - [ -0.0005885000000000, 0.0000672500000000, 0.0000993200000000 ] - [ -0.0006282200000000, -0.0000322000000000, 0.0002073200000000 ] - [ 0.0001276900000000, 0.0001530800000000, 0.0004948500000000 ] - [ 0.0000518700000000, 0.0002856700000000, 0.0002277000000000 ] - [ 0.0008571400000000, 0.0008037800000000, -0.0024815600000000 ] - [ 0.0003376100000000, -0.0000630700000000, -0.0001346400000000 ] - [ -0.0000377000000000, 0.0000943300000000, -0.0001295700000000 ] - [ 0.0003292000000000, -0.0001663100000000, 0.0011284100000000 ] - [ 0.0038482700000000, 0.0086689900000000, 0.0107449000000000 ] - [ 0.0004591800000000, -0.0000506900000000, 0.0004060300000000 ] - [ 0.0001814600000000, -0.0002402900000000, 0.0039236300000000 ] - [ -0.0004541000000000, 0.0000454800000000, 0.0021840900000000 ] - [ -0.0015621300000000, -0.0013304200000000, -0.0004352700000000 ] - [ 0.0000327400000000, -0.0003979500000000, 0.0007425100000000 ] - [ -0.0000075800000000, 0.0012564500000000, 0.0003247600000000 ] - [ 0.0009075500000000, -0.0040186600000000, 0.0001566800000000 ] - [ -0.0001170800000000, 0.0004941600000000, -0.0012732500000000 ] - [ -0.0008295100000000, 0.0004150800000000, -0.0000705000000000 ] - [ 0.0000636900000000, 0.0003973300000000, 0.0010621400000000 ] - [ -0.0000589700000000, 0.0000855400000000, 0.0007919400000000 ] - [ 0.0002854000000000, 0.0001462800000000, -0.0001937000000000 ] - [ -0.0000804800000000, -0.0003742100000000, 0.0000791100000000 ] - [ -0.0007762000000000, -0.0019049500000000, 0.0016059800000000 ] - [ 0.0029259800000000, 0.0002551300000000, -0.0000826100000000 ] - [ 0.0008925900000000, -0.0004960900000000, 0.0008047100000000 ] - [ -0.0002091400000000, -0.0000809200000000, -0.0003321400000000 ] - [ -0.0003268000000000, 0.0002005500000000, -0.0006103800000000 ] - [ 0.0027220000000000, -0.0023007500000000, 0.0022529700000000 ] - [ 0.0002610400000000, 0.0003624800000000, -0.0005359400000000 ]- atom: 106 displacement: [ 0.0035230240541542, 0.0000000000000000, -0.0093588621911988 ] forces: - [ -0.0002727800000000, -0.0003784900000000, -0.0004508100000000 ] - [ -0.0000238400000000, 0.0003053400000000, 0.0001265900000000 ] - [ 0.0003477500000000, -0.0001195500000000, 0.0005525000000000 ] - [ -0.0003473000000000, -0.0004575300000000, 0.0012705100000000 ] - [ -0.0000696300000000, -0.0003337300000000, -0.0003377400000000 ] - [ -0.0002456500000000, 0.0002168200000000, 0.0004190100000000 ] - [ -0.0000852000000000, 0.0002886600000000, -0.0002789200000000 ] - [ -0.0010855500000000, -0.0008192200000000, -0.0012042300000000 ] - [ -0.0025718300000000, 0.0010755100000000, -0.0004028200000000 ] - [ 0.0003037600000000, 0.0001460100000000, -0.0005589700000000 ] - [ 0.0008663000000000, 0.0019579900000000, -0.0015682500000000 ] - [ -0.0001029400000000, -0.0004965800000000, 0.0005418700000000 ] - [ 0.0004504900000000, -0.0000392200000000, 0.0003084600000000 ] - [ 0.0001930400000000, -0.0002899000000000, 0.0004100600000000 ] - [ -0.0000821100000000, 0.0000777300000000, 0.0003210400000000 ] - [ -0.0002114400000000, 0.0004128600000000, -0.0000800400000000 ] - [ -0.0005055200000000, 0.0002414100000000, -0.0003722800000000 ] - [ 0.0005649100000000, -0.0029049700000000, -0.0012771100000000 ] - [ -0.0004579400000000, 0.0002464200000000, 0.0000452500000000 ] - [ 0.0037147900000000, 0.0012874200000000, -0.0009542200000000 ] - [ 0.0003099500000000, 0.0001986000000000, -0.0002640000000000 ] - [ 0.0000486900000000, 0.0005944600000000, 0.0002567200000000 ] - [ -0.0010802400000000, 0.0001927500000000, 0.0020678000000000 ] - [ 0.0005740300000000, 0.0000327700000000, 0.0009099600000000 ] - [ 0.0001475300000000, -0.0006248700000000, -0.0006071100000000 ] - [ 0.0004497000000000, -0.0027377700000000, 0.0001044600000000 ] - [ 0.0004728300000000, -0.0009226800000000, 0.0021483000000000 ] - [ -0.0005357600000000, 0.0037592200000000, 0.0005207500000000 ] - [ -0.0001455400000000, 0.0004598300000000, 0.0000122100000000 ] - [ 0.0111236400000000, -0.0074345800000000, 0.0006009800000000 ] - [ 0.0000711400000000, 0.0007983300000000, 0.0004239400000000 ] - [ -0.0001725800000000, 0.0008930500000000, 0.0000901800000000 ] - [ -0.0003023600000000, 0.0012369500000000, 0.0000240300000000 ] - [ -0.0002370700000000, 0.0002504000000000, -0.0005052300000000 ] - [ 0.0011201300000000, 0.0013553500000000, 0.0005721800000000 ] - [ -0.0007808800000000, 0.0014951100000000, 0.0003444200000000 ] - [ -0.0006730300000000, -0.0006430800000000, -0.0029204300000000 ] - [ 0.0002250000000000, -0.0000950600000000, -0.0010487900000000 ] - [ 0.0008548800000000, 0.0009779900000000, -0.0005763600000000 ] - [ 0.0002170400000000, 0.0002281000000000, 0.0003203200000000 ] - [ -0.0046100900000000, -0.0019404300000000, 0.0007706700000000 ] - [ -0.0009168300000000, 0.0002116200000000, 0.0012901400000000 ] - [ 0.0006207900000000, -0.0013344100000000, -0.0001892500000000 ] - [ -0.0001404800000000, 0.0009486100000000, 0.0008197200000000 ] - [ 0.0143876700000000, -0.0069910600000000, -0.0159133300000000 ] - [ 0.0002402000000000, -0.0012402700000000, 0.0028215400000000 ] - [ -0.0017373500000000, 0.0006831100000000, 0.0177204000000000 ] - [ -0.0010235200000000, -0.0015988300000000, 0.0010289300000000 ] - [ -0.0003910800000000, 0.0003222600000000, -0.0000833700000000 ] - [ 0.0001373300000000, 0.0001065400000000, 0.0000624500000000 ] - [ 0.0015928300000000, -0.0002400000000000, 0.0027943900000000 ] - [ -0.0005126500000000, -0.0002341400000000, -0.0013589400000000 ] - [ -0.0026645300000000, 0.0014145700000000, 0.0009334600000000 ] - [ -0.0004612400000000, 0.0003597900000000, 0.0001531400000000 ] - [ -0.0000047700000000, -0.0011820400000000, -0.0000228900000000 ] - [ 0.0001389400000000, 0.0000016100000000, 0.0004812700000000 ] - [ -0.0001697100000000, 0.0002758100000000, -0.0001048100000000 ] - [ 0.0002599000000000, 0.0000888500000000, -0.0002727300000000 ] - [ 0.0073805100000000, 0.0039353900000000, -0.0006219600000000 ] - [ 0.0000757000000000, -0.0088613600000000, 0.0003182900000000 ] - [ 0.0961983400000000, -0.0490251800000000, -0.0860403000000000 ] - [ 0.0003009700000000, 0.0001442200000000, 0.0006340000000000 ] - [ -0.0000458600000000, 0.0027002900000000, 0.0004956700000000 ] - [ 0.0028213800000000, -0.0014787800000000, -0.0000035700000000 ] - [ -0.0001697100000000, -0.0002302700000000, 0.0008859200000000 ] - [ 0.0008647000000000, 0.0003690700000000, 0.0033066500000000 ] - [ 0.0002712500000000, -0.0001007300000000, 0.0011856300000000 ] - [ -0.0025195800000000, -0.0008017800000000, -0.0016558100000000 ] - [ -0.0001921700000000, 0.0007178700000000, 0.0007324500000000 ] - [ 0.0003426000000000, 0.0011033700000000, -0.0015275800000000 ] - [ -0.0005424200000000, -0.0006311000000000, 0.0021513300000000 ] - [ 0.0001414100000000, 0.0010821700000000, -0.0000320200000000 ] - [ 0.0002898300000000, 0.0010485700000000, -0.0027673900000000 ] - [ -0.0003255600000000, 0.0001102200000000, -0.0000266600000000 ] - [ -0.0005868800000000, 0.0003409800000000, -0.0010952200000000 ] - [ -0.0000785400000000, 0.0002260700000000, -0.0003880700000000 ] - [ -0.0001244500000000, 0.0001926400000000, -0.0000636900000000 ] - [ 0.0000561200000000, 0.0002221400000000, -0.0001177600000000 ] - [ -0.0021603000000000, -0.0020072300000000, 0.0003748100000000 ] - [ -0.0003050400000000, 0.0002037700000000, -0.0005176600000000 ] - [ 0.0001388200000000, -0.0004882700000000, 0.0000981100000000 ] - [ -0.0000812600000000, 0.0001791800000000, 0.0020683300000000 ] - [ -0.0004224900000000, -0.0006874500000000, 0.0006845100000000 ] - [ 0.0001389000000000, -0.0007518500000000, -0.0000991800000000 ] - [ 0.0007382100000000, 0.0003051500000000, 0.0003932200000000 ] - [ 0.0007627100000000, -0.0008392700000000, 0.0004878400000000 ] - [ 0.0001993400000000, -0.0002155900000000, 0.0001118500000000 ] - [ -0.0002803200000000, -0.0001173000000000, -0.0004957100000000 ] - [ -0.0002257900000000, -0.0001175600000000, 0.0005394100000000 ] - [ 0.0004492000000000, -0.0000648800000000, -0.0001195400000000 ] - [ -0.0002835200000000, -0.0032122200000000, 0.0023375000000000 ] - [ -0.0001412000000000, -0.0000388300000000, 0.0001505600000000 ] - [ -0.0001670000000000, 0.0001270700000000, -0.0004222900000000 ] - [ 0.0000947900000000, 0.0009579700000000, -0.0049469300000000 ] - [ 0.0041874500000000, 0.0002804800000000, -0.0017140500000000 ] - [ -0.0018330800000000, -0.0033805400000000, 0.0002126400000000 ] - [ 0.0005224000000000, 0.0012082700000000, 0.0001602100000000 ] - [ 0.0001605000000000, -0.0007786700000000, -0.0002930600000000 ] - [ 0.0001358900000000, -0.0002166100000000, -0.0018226000000000 ] - [ 0.0017084900000000, -0.0002877600000000, -0.0006900500000000 ] - [ 0.0320933100000000, -0.0319628000000000, -0.0472279100000000 ] - [ -0.0006275200000000, -0.0000709500000000, -0.0014798900000000 ] - [ 0.0000473900000000, -0.0000026400000000, 0.0016865400000000 ] - [ -0.0005352100000000, -0.0003272300000000, 0.0004407500000000 ] - [ -0.0009470400000000, -0.0029251900000000, -0.0016269800000000 ] - [ -0.1747456800000000, 0.1061990800000000, 0.1362655400000000 ] - [ -0.0002793000000000, 0.0002430400000000, -0.0012312900000000 ] - [ 0.0013991700000000, 0.0010030500000000, 0.0003529000000000 ] - [ 0.0007481900000000, 0.0002258400000000, 0.0004974000000000 ] - [ -0.0002715300000000, 0.0001963200000000, -0.0002675900000000 ] - [ -0.0001230600000000, -0.0006815000000000, 0.0006803300000000 ] - [ 0.0002524200000000, -0.0002765600000000, -0.0001738400000000 ] - [ -0.0004504900000000, -0.0010355500000000, 0.0005264100000000 ] - [ 0.0000081900000000, -0.0006250500000000, 0.0004547000000000 ] - [ 0.0074468100000000, -0.0089460800000000, 0.0233476300000000 ] - [ 0.0000703000000000, -0.0000664900000000, -0.0002922000000000 ] - [ 0.0013069200000000, -0.0015247700000000, 0.0036444600000000 ] - [ -0.0000676000000000, -0.0018065000000000, -0.0000297300000000 ] - [ -0.0003217600000000, 0.0000045900000000, -0.0000131800000000 ] - [ 0.0088899800000000, 0.0080661700000000, -0.0093603500000000 ] - [ -0.0014263000000000, 0.0018112400000000, 0.0009578500000000 ] - [ -0.0000927100000000, -0.0005430200000000, 0.0000835900000000 ] - [ -0.0001879000000000, -0.0005371400000000, -0.0001986700000000 ] - [ 0.0000351600000000, -0.0004127400000000, -0.0000138200000000 ] - [ -0.0003179200000000, -0.0006899300000000, 0.0000204600000000 ] - [ 0.0019204700000000, 0.0005130300000000, 0.0015770500000000 ] - [ 0.0000669300000000, -0.0007781700000000, -0.0001580600000000 ] - [ -0.0002772900000000, 0.0000015400000000, -0.0005957200000000 ] - [ 0.0024459100000000, -0.0024649000000000, -0.0024102700000000 ] - [ 0.0003879900000000, 0.0003394600000000, 0.0000292700000000 ] - [ -0.0002146300000000, -0.0002072200000000, 0.0002660100000000 ] - [ 0.0000599800000000, -0.0001697300000000, -0.0005127700000000 ] - [ 0.0005519100000000, -0.0024612200000000, -0.0012912300000000 ] - [ -0.0013997100000000, 0.0021775300000000, -0.0000708600000000 ] - [ -0.0002954200000000, 0.0000875800000000, -0.0000104400000000 ] - [ 0.0016285100000000, 0.0042469800000000, -0.0000867500000000 ] - [ 0.0005536300000000, -0.0003338400000000, 0.0000864000000000 ] - [ 0.0002216900000000, 0.0004468000000000, -0.0027173200000000 ] - [ 0.0001726500000000, 0.0002654600000000, -0.0001994300000000 ] - [ -0.0017877900000000, 0.0000528500000000, 0.0000703800000000 ] - [ -0.0000387700000000, -0.0004815800000000, 0.0002147300000000 ] - [ 0.0029874800000000, 0.0018955700000000, 0.0045839700000000 ] - [ -0.0002238400000000, 0.0010625200000000, -0.0010782600000000 ] - [ -0.0008666300000000, 0.0005997700000000, -0.0014825700000000 ] - [ 0.0029155100000000, 0.0016037900000000, -0.0013100700000000 ] - [ 0.0011267700000000, 0.0006339100000000, -0.0014928900000000 ] - [ 0.0012673900000000, 0.0004920200000000, 0.0015639400000000 ] - [ -0.0003507300000000, -0.0006338400000000, 0.0000278700000000 ] - [ 0.0001040600000000, -0.0007559900000000, -0.0002709800000000 ] - [ 0.0001193400000000, -0.0002896700000000, -0.0002038200000000 ] - [ 0.0001812400000000, -0.0004364900000000, -0.0006621500000000 ] - [ -0.0006254100000000, -0.0006531200000000, 0.0020459900000000 ] - [ 0.0001437200000000, -0.0004410600000000, -0.0007053100000000 ] - [ 0.0004422800000000, 0.0007824100000000, 0.0001819400000000 ] - [ -0.0007919200000000, 0.0000789800000000, -0.0008850000000000 ] - [ -0.0041739500000000, -0.0085528800000000, -0.0105332400000000 ] - [ -0.0001677700000000, -0.0007062900000000, -0.0001674300000000 ] - [ 0.0002921600000000, 0.0001692300000000, -0.0037453200000000 ] - [ 0.0007867200000000, -0.0005919600000000, -0.0027732700000000 ] - [ 0.0018463800000000, 0.0011051500000000, 0.0000976400000000 ] - [ 0.0000999300000000, 0.0003814400000000, -0.0015957800000000 ] - [ -0.0001422200000000, -0.0000663500000000, 0.0000093100000000 ] - [ -0.0011165000000000, 0.0043638000000000, -0.0002633400000000 ] - [ 0.0005024200000000, -0.0004241300000000, 0.0008908900000000 ] - [ 0.0003723600000000, -0.0003312200000000, 0.0003133700000000 ] - [ -0.0002964100000000, -0.0002458700000000, -0.0006279200000000 ] - [ -0.0000744500000000, -0.0000678500000000, 0.0000598400000000 ] - [ 0.0000041000000000, 0.0000753900000000, -0.0001394900000000 ] - [ 0.0002811300000000, 0.0000468100000000, 0.0000407900000000 ] - [ 0.0017108400000000, 0.0013308700000000, -0.0017346700000000 ] - [ -0.0038793800000000, 0.0003150400000000, 0.0002232000000000 ] - [ -0.0003242100000000, 0.0002980800000000, -0.0012681200000000 ] - [ -0.0001081600000000, 0.0001840700000000, -0.0000033000000000 ] - [ -0.0002501800000000, -0.0002297100000000, 0.0000205600000000 ] - [ -0.0023040300000000, 0.0014187700000000, -0.0022079500000000 ] - [ 0.0003059400000000, -0.0001661300000000, 0.0000746200000000 ]- atom: 110 displacement: [ 0.0099999639143206, 0.0000000000000000, -0.0000268647033593 ] forces: - [ 0.0000969600000000, -0.0000400800000000, 0.0001238300000000 ] - [ 0.0021735300000000, 0.0020883200000000, 0.0001894000000000 ] - [ 0.0007413200000000, -0.0031680300000000, -0.0001298100000000 ] - [ -0.0001005000000000, -0.0002572400000000, 0.0000992600000000 ] - [ -0.0003127800000000, -0.0002783000000000, -0.0000629700000000 ] - [ -0.0014618300000000, -0.0001694400000000, 0.0014084100000000 ] - [ 0.0003883700000000, -0.0000018000000000, -0.0001296500000000 ] - [ 0.0004150800000000, 0.0000624300000000, 0.0002580900000000 ] - [ -0.0000092300000000, -0.0000311200000000, -0.0000414200000000 ] - [ -0.0001817400000000, -0.0000099100000000, -0.0002291100000000 ] - [ 0.0000464300000000, 0.0003927600000000, 0.0001333700000000 ] - [ 0.0000604100000000, -0.0000741000000000, 0.0000390200000000 ] - [ 0.0004907700000000, 0.0000651300000000, 0.0001592200000000 ] - [ 0.0000440800000000, 0.0001390600000000, -0.0000724400000000 ] - [ -0.0011840700000000, 0.0002664800000000, 0.0002601600000000 ] - [ -0.0003112700000000, -0.0000064900000000, 0.0000382700000000 ] - [ 0.0000138600000000, -0.0002911800000000, 0.0001643500000000 ] - [ -0.0005516500000000, 0.0000156200000000, -0.0005078900000000 ] - [ -0.0006481300000000, 0.0002769300000000, -0.0001081800000000 ] - [ 0.0001304700000000, 0.0002832000000000, -0.0000257000000000 ] - [ 0.0003005500000000, 0.0000733200000000, -0.0000720100000000 ] - [ 0.0029819300000000, 0.0002265600000000, 0.0008719200000000 ] - [ -0.0006403100000000, -0.0001931100000000, 0.0000931700000000 ] - [ 0.0002809900000000, 0.0005324500000000, -0.0000347200000000 ] - [ 0.0003588500000000, 0.0001696000000000, 0.0004936000000000 ] - [ -0.0000434500000000, 0.0000212300000000, 0.0001630400000000 ] - [ 0.0015581900000000, 0.0006211600000000, 0.0044316100000000 ] - [ -0.0010505900000000, -0.0006912300000000, -0.0017060800000000 ] - [ -0.0008812100000000, 0.0023272500000000, 0.0008485600000000 ] - [ 0.0002442900000000, 0.0001034600000000, -0.0003581100000000 ] - [ 0.0000939000000000, 0.0007714200000000, -0.0005158300000000 ] - [ 0.0001031500000000, 0.0000829200000000, 0.0006066600000000 ] - [ -0.0001108100000000, 0.0008922900000000, 0.0003909900000000 ] - [ -0.0016741600000000, -0.0015813700000000, -0.0008562900000000 ] - [ 0.0000824700000000, 0.0000009400000000, -0.0001041300000000 ] - [ -0.0000640200000000, 0.0000737700000000, -0.0004662800000000 ] - [ 0.0010448600000000, -0.0017053800000000, 0.0011929200000000 ] - [ 0.0002317700000000, -0.0003612300000000, -0.0004041300000000 ] - [ 0.0006758400000000, -0.0009183300000000, -0.0003260500000000 ] - [ 0.0007450500000000, 0.0001922300000000, 0.0000351100000000 ] - [ -0.0002429900000000, 0.0003905900000000, 0.0005788800000000 ] - [ 0.0003860000000000, -0.0001732100000000, 0.0004769700000000 ] - [ 0.0118612700000000, -0.0016128200000000, 0.0075726700000000 ] - [ -0.0002224100000000, -0.0000613400000000, 0.0000384000000000 ] - [ -0.0001894700000000, -0.0001852500000000, 0.0000950000000000 ] - [ -0.0061627400000000, 0.0032384200000000, -0.0016675900000000 ] - [ -0.0004433700000000, 0.0006733100000000, -0.0003710200000000 ] - [ -0.0034272600000000, -0.0005827800000000, 0.0015943900000000 ] - [ -0.0001545300000000, -0.0000994800000000, -0.0000340000000000 ] - [ 0.0000267600000000, 0.0004354200000000, 0.0000601700000000 ] - [ 0.0008997100000000, 0.0002777600000000, -0.0009231900000000 ] - [ -0.0003365200000000, 0.0001975000000000, 0.0003049000000000 ] - [ 0.0000169800000000, 0.0002081100000000, 0.0001276800000000 ] - [ -0.0002364600000000, 0.0004024000000000, 0.0001187300000000 ] - [ -0.0036429900000000, -0.0017854800000000, -0.0004988300000000 ] - [ 0.0001901000000000, -0.0002968600000000, -0.0001169900000000 ] - [ -0.0020846700000000, 0.0022379000000000, 0.0018401600000000 ] - [ 0.0008992900000000, -0.0003624500000000, -0.0002861800000000 ] - [ 0.0003172800000000, -0.0007546700000000, -0.0001565300000000 ] - [ -0.0000639900000000, -0.0002376000000000, 0.0001369700000000 ] - [ -0.0001514900000000, 0.0000535200000000, -0.0004037100000000 ] - [ 0.0008260900000000, 0.0009474700000000, -0.0005539700000000 ] - [ -0.0000641100000000, 0.0004984000000000, 0.0001037200000000 ] - [ 0.0010908500000000, -0.0001466300000000, -0.0005716600000000 ] - [ -0.0001874600000000, -0.0000339000000000, -0.0002958900000000 ] - [ -0.0005676400000000, 0.0010232700000000, -0.0002681600000000 ] - [ 0.0711785400000000, -0.0494668700000000, -0.0423243700000000 ] - [ 0.0001730800000000, 0.0002826500000000, -0.0000308800000000 ] - [ -0.0000948000000000, -0.0001031600000000, 0.0001497400000000 ] - [ 0.0001871900000000, 0.0002578400000000, -0.0001091900000000 ] - [ -0.0033898200000000, -0.0015101200000000, -0.0006222100000000 ] - [ -0.0003016400000000, 0.0002994600000000, -0.0000096800000000 ] - [ 0.0004923800000000, 0.0005179100000000, -0.0005000900000000 ] - [ -0.0002636400000000, -0.0000847200000000, -0.0001767700000000 ] - [ 0.0001100100000000, 0.0000500000000000, -0.0003222000000000 ] - [ 0.0000279200000000, -0.0000450400000000, 0.0004214400000000 ] - [ -0.0003842200000000, -0.0000014600000000, -0.0000891800000000 ] - [ 0.0011302400000000, -0.0002564100000000, -0.0000573600000000 ] - [ -0.0013427000000000, -0.0005542900000000, 0.0000469700000000 ] - [ 0.0000562600000000, 0.0006901900000000, -0.0000000300000000 ] - [ 0.0005911500000000, 0.0003392500000000, 0.0003901600000000 ] - [ -0.0000250700000000, 0.0000208800000000, 0.0004434500000000 ] - [ -0.0003712200000000, -0.0001993200000000, 0.0002327000000000 ] - [ 0.0001719200000000, 0.0004475600000000, -0.0001899500000000 ] - [ -0.0000108700000000, -0.0008515000000000, -0.0000824600000000 ] - [ 0.0002958900000000, -0.0000175300000000, 0.0001336000000000 ] - [ 0.0001806500000000, -0.0000296100000000, 0.0000132500000000 ] - [ -0.0003399100000000, 0.0000004100000000, -0.0001671900000000 ] - [ -0.0000911100000000, 0.0002404100000000, 0.0008453800000000 ] - [ 0.0027626800000000, 0.0001211600000000, -0.0001967600000000 ] - [ 0.0001425700000000, -0.0001010600000000, 0.0007469100000000 ] - [ -0.0007361600000000, 0.0007959100000000, -0.0001680200000000 ] - [ -0.0001748700000000, 0.0001666500000000, 0.0004353000000000 ] - [ 0.0006996700000000, -0.0007510400000000, 0.0006375200000000 ] - [ -0.0000154500000000, -0.0004219300000000, -0.0000049100000000 ] - [ -0.0000368100000000, 0.0002651400000000, 0.0003155200000000 ] - [ 0.0001077000000000, 0.0000702800000000, 0.0000548100000000 ] - [ 0.0000445300000000, -0.0006213200000000, -0.0002242500000000 ] - [ 0.0015200400000000, 0.0007772700000000, 0.0007553800000000 ] - [ -0.0006199600000000, 0.0009305400000000, -0.0002752100000000 ] - [ 0.0001050300000000, -0.0000468200000000, -0.0002101500000000 ] - [ -0.0154507000000000, 0.0022800900000000, 0.0056064400000000 ] - [ 0.0002757300000000, -0.0000821500000000, 0.0002954200000000 ] - [ -0.0001204300000000, -0.0007572800000000, 0.0001794100000000 ] - [ 0.0001406100000000, -0.0007745400000000, -0.0001229300000000 ] - [ -0.0001711100000000, 0.0000552800000000, 0.0001926400000000 ] - [ 0.0032829200000000, 0.0008358500000000, 0.0000616200000000 ] - [ 0.0009272800000000, 0.0002098900000000, -0.0003946800000000 ] - [ 0.0006118300000000, 0.0001572600000000, -0.0005880900000000 ] - [ -0.0718862800000000, 0.0808153700000000, 0.0343627200000000 ] - [ -0.0001989200000000, -0.0002734900000000, 0.0000651300000000 ] - [ 0.0000843800000000, 0.0001772300000000, 0.0000174500000000 ] - [ 0.0001279400000000, 0.0001710300000000, -0.0002305500000000 ] - [ -0.0000035100000000, -0.0001022300000000, 0.0003605200000000 ] - [ -0.0002156300000000, -0.0002645100000000, 0.0004447100000000 ] - [ -0.0007126800000000, -0.0004594200000000, 0.0002495700000000 ] - [ -0.0002692500000000, -0.0001106400000000, -0.0000080400000000 ] - [ 0.0001595500000000, -0.0000751000000000, 0.0001711300000000 ] - [ 0.0024589000000000, 0.0016878900000000, 0.0030954400000000 ] - [ 0.0002334700000000, -0.0000732900000000, 0.0000978200000000 ] - [ -0.0003840100000000, 0.0002021900000000, -0.0000564100000000 ] - [ 0.0001682400000000, -0.0001567900000000, 0.0002075700000000 ] - [ -0.0005292400000000, -0.0002396700000000, -0.0001853200000000 ] - [ -0.0007950800000000, -0.0001484800000000, 0.0008498200000000 ] - [ -0.0007841500000000, -0.0008081800000000, -0.0000333700000000 ] - [ -0.0001439100000000, 0.0001697200000000, -0.0002492700000000 ] - [ 0.0001235300000000, -0.0001670300000000, -0.0003203300000000 ] - [ -0.0001780200000000, -0.0000823100000000, -0.0001705600000000 ] - [ 0.0008272600000000, 0.0002378300000000, 0.0000082900000000 ] - [ 0.0005192600000000, 0.0000853400000000, 0.0000175400000000 ] - [ -0.0001464400000000, -0.0000751800000000, 0.0003402600000000 ] - [ -0.0000532200000000, -0.0000767600000000, 0.0000815300000000 ] - [ -0.0000198200000000, -0.0003655300000000, -0.0000223000000000 ] - [ -0.0011210300000000, 0.0002170300000000, 0.0002351700000000 ] - [ -0.0004652100000000, -0.0000357200000000, -0.0000612400000000 ] - [ 0.0002144300000000, 0.0004117500000000, -0.0002298200000000 ] - [ 0.0000811700000000, 0.0003426200000000, 0.0001520600000000 ] - [ -0.0000194900000000, 0.0001244100000000, 0.0001876100000000 ] - [ 0.0009667500000000, 0.0003968700000000, -0.0002617700000000 ] - [ -0.0013376900000000, -0.0000520300000000, -0.0001035500000000 ] - [ -0.0006526800000000, -0.0020799500000000, -0.0034043500000000 ] - [ -0.0004253300000000, 0.0000888200000000, -0.0002777400000000 ] - [ 0.0024703200000000, -0.0000278200000000, 0.0022690800000000 ] - [ 0.0012839300000000, -0.0013179500000000, -0.0006350000000000 ] - [ 0.0003597100000000, 0.0007817500000000, 0.0002404200000000 ] - [ 0.0035184600000000, 0.0014042900000000, -0.0007445100000000 ] - [ -0.0000958500000000, -0.0000358200000000, -0.0000244400000000 ] - [ -0.0002468200000000, -0.0005308700000000, -0.0000086500000000 ] - [ -0.0002199500000000, -0.0004466300000000, -0.0000248300000000 ] - [ 0.0003451000000000, 0.0002013500000000, -0.0000199700000000 ] - [ 0.0004551200000000, 0.0004885700000000, -0.0005867800000000 ] - [ 0.0004372000000000, 0.0002616900000000, 0.0022304900000000 ] - [ 0.0003735400000000, -0.0012617600000000, 0.0000402100000000 ] - [ 0.0002015300000000, 0.0003508600000000, 0.0000133500000000 ] - [ -0.0019048100000000, -0.0006359400000000, 0.0005581100000000 ] - [ -0.0001232100000000, 0.0004556800000000, 0.0002808100000000 ] - [ 0.0000530200000000, -0.0004618500000000, 0.0001500100000000 ] - [ -0.0000370000000000, -0.0001146200000000, 0.0000772500000000 ] - [ 0.0004766200000000, -0.0010000400000000, -0.0006813400000000 ] - [ 0.0012345800000000, 0.0006474300000000, -0.0006612600000000 ] - [ 0.0001044500000000, -0.0000997400000000, -0.0004164400000000 ] - [ -0.0002812500000000, 0.0005474300000000, 0.0001887800000000 ] - [ -0.0000915600000000, 0.0000723700000000, -0.0000640100000000 ] - [ 0.0002164600000000, -0.0000479800000000, -0.0002632900000000 ] - [ -0.0001425300000000, -0.0000828800000000, 0.0000733400000000 ] - [ -0.0001585400000000, -0.0000814400000000, 0.0001789300000000 ] - [ 0.0000004300000000, -0.0014343200000000, 0.0005225800000000 ] - [ 0.0001046900000000, -0.0001041100000000, -0.0000981100000000 ] - [ 0.0015097400000000, -0.0007628700000000, -0.0001647800000000 ] - [ 0.0018523400000000, -0.0004642000000000, 0.0004314300000000 ] - [ -0.0011108900000000, 0.0007462200000000, -0.0004282600000000 ] - [ -0.0005640300000000, -0.0329535700000000, -0.0102179400000000 ] - [ 0.0009295300000000, 0.0005581600000000, -0.0052456500000000 ] - [ -0.0002708400000000, -0.0003827300000000, -0.0007804200000000 ] - [ -0.0001308600000000, -0.0009724600000000, 0.0009880300000000 ] - [ 0.0001391700000000, -0.0000655600000000, -0.0003490600000000 ]- atom: 110 displacement: [ -0.0099999639143206, 0.0000000000000000, 0.0000268647033593 ] forces: - [ 0.0000928300000000, -0.0001724600000000, 0.0000609000000000 ] - [ -0.0022872100000000, -0.0016385700000000, -0.0002455300000000 ] - [ -0.0000789100000000, 0.0031825600000000, -0.0000248800000000 ] - [ 0.0001916700000000, -0.0004065400000000, 0.0001791700000000 ] - [ 0.0002197700000000, -0.0003868100000000, -0.0002141500000000 ] - [ 0.0012724200000000, -0.0000537000000000, -0.0016069100000000 ] - [ -0.0005782700000000, 0.0002138800000000, -0.0000531100000000 ] - [ 0.0004517300000000, 0.0002741000000000, -0.0000374600000000 ] - [ 0.0000677600000000, -0.0000719700000000, -0.0000718300000000 ] - [ 0.0001222700000000, 0.0001112900000000, 0.0003439200000000 ] - [ 0.0000452400000000, 0.0002733200000000, 0.0001463500000000 ] - [ 0.0000664200000000, -0.0003623600000000, 0.0000171500000000 ] - [ 0.0003764400000000, -0.0003987700000000, 0.0000579700000000 ] - [ 0.0000146900000000, -0.0000334400000000, -0.0000420600000000 ] - [ 0.0011205600000000, -0.0003664800000000, -0.0001461500000000 ] - [ -0.0003045900000000, -0.0000022400000000, 0.0001074500000000 ] - [ -0.0001412300000000, -0.0001501800000000, -0.0002190800000000 ] - [ -0.0003180400000000, -0.0003536900000000, 0.0002927600000000 ] - [ -0.0002199200000000, 0.0000609100000000, -0.0001104200000000 ] - [ -0.0000032800000000, 0.0001563600000000, 0.0000825500000000 ] - [ 0.0003151600000000, -0.0000629500000000, -0.0000735700000000 ] - [ -0.0028724800000000, 0.0003685700000000, -0.0009882800000000 ] - [ 0.0000224800000000, 0.0002005400000000, 0.0000505000000000 ] - [ -0.0000902300000000, -0.0003163400000000, 0.0002174000000000 ] - [ 0.0001660200000000, -0.0004843800000000, 0.0004264500000000 ] - [ 0.0001124500000000, -0.0004899900000000, 0.0001247800000000 ] - [ -0.0019289600000000, -0.0015819900000000, -0.0037427400000000 ] - [ 0.0005260300000000, 0.0003589900000000, 0.0007693200000000 ] - [ 0.0008107000000000, -0.0018446000000000, -0.0011287500000000 ] - [ -0.0000544700000000, 0.0002173300000000, -0.0005121800000000 ] - [ -0.0002761700000000, -0.0004569300000000, 0.0013796700000000 ] - [ 0.0000097700000000, 0.0002901300000000, -0.0005239600000000 ] - [ -0.0002614500000000, 0.0001371600000000, 0.0002749400000000 ] - [ 0.0011509800000000, 0.0019100000000000, -0.0000583900000000 ] - [ -0.0001990300000000, -0.0003719200000000, 0.0000165000000000 ] - [ 0.0002490100000000, -0.0003836100000000, -0.0004045900000000 ] - [ -0.0006400800000000, 0.0018796800000000, -0.0012694500000000 ] - [ 0.0001392500000000, -0.0006614700000000, -0.0002599200000000 ] - [ -0.0007426800000000, 0.0004152700000000, 0.0001085400000000 ] - [ -0.0003464700000000, -0.0003716400000000, -0.0001250900000000 ] - [ 0.0001230400000000, -0.0000100900000000, -0.0006619900000000 ] - [ 0.0001395200000000, 0.0004907500000000, 0.0004433600000000 ] - [ -0.0116206100000000, 0.0011951800000000, -0.0074546000000000 ] - [ -0.0001762200000000, 0.0002513900000000, 0.0000480900000000 ] - [ -0.0002074000000000, 0.0000022100000000, -0.0000053300000000 ] - [ 0.0064839900000000, -0.0022285000000000, 0.0009702400000000 ] - [ 0.0005090800000000, -0.0001978300000000, 0.0006561400000000 ] - [ 0.0032321400000000, 0.0002591400000000, -0.0007053500000000 ] - [ -0.0001621500000000, -0.0003742900000000, -0.0000199000000000 ] - [ 0.0000444900000000, -0.0000374600000000, 0.0001083200000000 ] - [ -0.0004391700000000, -0.0002032400000000, 0.0002220400000000 ] - [ 0.0006310800000000, -0.0003295700000000, 0.0002506300000000 ] - [ 0.0003851200000000, 0.0004556100000000, -0.0003633600000000 ] - [ -0.0001839100000000, 0.0002616000000000, 0.0001195900000000 ] - [ 0.0039711900000000, 0.0013140200000000, 0.0005593100000000 ] - [ 0.0001087500000000, -0.0004811300000000, -0.0003375700000000 ] - [ 0.0021183600000000, -0.0016138300000000, -0.0020423300000000 ] - [ -0.0004787300000000, -0.0002962000000000, 0.0000463000000000 ] - [ -0.0003743200000000, 0.0011446000000000, -0.0000098400000000 ] - [ 0.0000319800000000, -0.0003718500000000, 0.0000792500000000 ] - [ -0.0001428100000000, 0.0000807500000000, -0.0001366800000000 ] - [ -0.0005263900000000, -0.0008081300000000, 0.0010934700000000 ] - [ 0.0000305900000000, 0.0001162600000000, 0.0001124700000000 ] - [ -0.0015050700000000, -0.0005095900000000, 0.0008062200000000 ] - [ -0.0001042200000000, -0.0000972400000000, -0.0002496200000000 ] - [ 0.0008119700000000, -0.0012708700000000, 0.0001189600000000 ] - [ -0.0704552300000000, 0.0497041400000000, 0.0425074700000000 ] - [ 0.0001279200000000, 0.0004971100000000, -0.0004223200000000 ] - [ -0.0002077500000000, 0.0008880900000000, 0.0003052800000000 ] - [ 0.0000669200000000, 0.0000041300000000, -0.0000331900000000 ] - [ 0.0029203200000000, 0.0014317600000000, 0.0013050500000000 ] - [ 0.0006152800000000, 0.0001761800000000, 0.0000627500000000 ] - [ -0.0007866200000000, -0.0012834000000000, 0.0009492100000000 ] - [ -0.0001870200000000, 0.0001540900000000, 0.0008723300000000 ] - [ 0.0003395200000000, -0.0001188500000000, -0.0003721100000000 ] - [ -0.0002805500000000, -0.0002147300000000, -0.0002768700000000 ] - [ 0.0003124400000000, -0.0003901800000000, -0.0000794200000000 ] - [ -0.0010953200000000, -0.0003626100000000, -0.0001590300000000 ] - [ 0.0014073500000000, 0.0001541200000000, 0.0001219500000000 ] - [ -0.0003707100000000, -0.0002047300000000, -0.0000536900000000 ] - [ -0.0001147800000000, 0.0004639500000000, -0.0003215700000000 ] - [ -0.0001053300000000, -0.0000409000000000, 0.0003676700000000 ] - [ -0.0001824300000000, 0.0000262800000000, 0.0002403200000000 ] - [ -0.0004435700000000, 0.0003310400000000, -0.0000509700000000 ] - [ 0.0000791000000000, 0.0007165100000000, 0.0007380700000000 ] - [ 0.0001895700000000, 0.0000872200000000, 0.0000804900000000 ] - [ 0.0003084300000000, -0.0000777800000000, -0.0002664300000000 ] - [ -0.0002206800000000, 0.0000839500000000, -0.0000393800000000 ] - [ -0.0002996600000000, -0.0003104900000000, -0.0004369400000000 ] - [ -0.0022911800000000, -0.0009249800000000, 0.0002612300000000 ] - [ 0.0000880500000000, 0.0002364000000000, -0.0004608400000000 ] - [ 0.0004632200000000, 0.0003013200000000, 0.0005163500000000 ] - [ -0.0003065700000000, 0.0003424200000000, 0.0004002000000000 ] - [ -0.0001250600000000, 0.0007198000000000, -0.0000579600000000 ] - [ -0.0001311200000000, -0.0007610400000000, 0.0003402700000000 ] - [ 0.0002414800000000, -0.0013816500000000, -0.0006833000000000 ] - [ 0.0001619500000000, 0.0007010500000000, 0.0001880400000000 ] - [ 0.0001072700000000, -0.0005582200000000, -0.0001133500000000 ] - [ -0.0019014800000000, -0.0007024300000000, -0.0003312600000000 ] - [ 0.0002527400000000, -0.0000670400000000, 0.0002011600000000 ] - [ 0.0000271600000000, 0.0000649500000000, -0.0006245900000000 ] - [ 0.0148644800000000, -0.0023935700000000, -0.0064491000000000 ] - [ 0.0002947000000000, 0.0001081000000000, 0.0002766200000000 ] - [ -0.0000989700000000, -0.0003713200000000, 0.0001883900000000 ] - [ 0.0001334500000000, -0.0003116900000000, -0.0002246400000000 ] - [ -0.0000670500000000, 0.0000351600000000, 0.0000007500000000 ] - [ -0.0037396400000000, -0.0007571300000000, -0.0002757200000000 ] - [ -0.0004464800000000, 0.0003020900000000, -0.0004507500000000 ] - [ -0.0003727300000000, -0.0002459800000000, 0.0003853300000000 ] - [ 0.0700239700000000, -0.0802277000000000, -0.0336798300000000 ] - [ -0.0001344600000000, -0.0002699900000000, 0.0005209700000000 ] - [ 0.0004840000000000, -0.0002702000000000, 0.0001903400000000 ] - [ 0.0002037400000000, 0.0003688000000000, -0.0003543100000000 ] - [ 0.0000716700000000, 0.0002227300000000, 0.0003033000000000 ] - [ -0.0002651300000000, -0.0002478600000000, 0.0003899400000000 ] - [ 0.0009433900000000, 0.0005455100000000, -0.0004405100000000 ] - [ 0.0008295900000000, 0.0001982800000000, 0.0002128600000000 ] - [ 0.0001655200000000, 0.0002093500000000, 0.0001606500000000 ] - [ -0.0027400900000000, -0.0024725800000000, -0.0033703300000000 ] - [ 0.0000932000000000, -0.0000691100000000, 0.0002335700000000 ] - [ -0.0000925500000000, 0.0005955400000000, -0.0000091300000000 ] - [ -0.0004430200000000, -0.0000863600000000, 0.0001237100000000 ] - [ 0.0002029900000000, 0.0001036900000000, -0.0001460000000000 ] - [ 0.0010050700000000, 0.0004902200000000, -0.0007293700000000 ] - [ 0.0003968700000000, -0.0000601400000000, -0.0000277000000000 ] - [ -0.0000892000000000, -0.0003057500000000, -0.0000365500000000 ] - [ -0.0001922400000000, 0.0000464200000000, -0.0003425400000000 ] - [ -0.0000533100000000, 0.0002175600000000, -0.0001118100000000 ] - [ 0.0001244900000000, -0.0000895900000000, 0.0001164700000000 ] - [ 0.0004455300000000, 0.0004994700000000, -0.0001490400000000 ] - [ -0.0003393800000000, 0.0000042000000000, -0.0005567400000000 ] - [ -0.0001844100000000, -0.0000151900000000, 0.0001128900000000 ] - [ -0.0001947300000000, 0.0000323000000000, -0.0000948200000000 ] - [ 0.0012701100000000, 0.0009551200000000, -0.0005700000000000 ] - [ -0.0004750100000000, 0.0001752300000000, -0.0000617700000000 ] - [ 0.0000634300000000, 0.0006705400000000, -0.0001189900000000 ] - [ 0.0008633300000000, -0.0004888400000000, -0.0000290700000000 ] - [ 0.0004086200000000, -0.0001910300000000, -0.0005966800000000 ] - [ -0.0007477600000000, 0.0007269700000000, -0.0001073900000000 ] - [ 0.0003928700000000, -0.0000892300000000, -0.0000205600000000 ] - [ 0.0003669300000000, 0.0009829800000000, 0.0037314900000000 ] - [ -0.0001412400000000, -0.0001774300000000, 0.0000675800000000 ] - [ -0.0025656600000000, 0.0001758300000000, -0.0029614100000000 ] - [ -0.0018172200000000, 0.0014713200000000, 0.0011116800000000 ] - [ -0.0005764800000000, 0.0003453600000000, 0.0001276200000000 ] - [ -0.0030111100000000, -0.0012825900000000, 0.0004919000000000 ] - [ -0.0001372500000000, -0.0001001900000000, 0.0004474200000000 ] - [ -0.0007179300000000, -0.0000591900000000, 0.0001399200000000 ] - [ -0.0002537500000000, -0.0003568700000000, -0.0000408700000000 ] - [ -0.0001148400000000, -0.0003428200000000, 0.0003008300000000 ] - [ -0.0002232900000000, -0.0006254400000000, 0.0001674000000000 ] - [ -0.0002121300000000, -0.0001247000000000, -0.0026144400000000 ] - [ 0.0001081900000000, 0.0007426700000000, -0.0008714400000000 ] - [ 0.0001855200000000, 0.0005136100000000, 0.0000457900000000 ] - [ 0.0014002200000000, 0.0005201100000000, -0.0002947000000000 ] - [ -0.0001603600000000, -0.0002169500000000, 0.0000514500000000 ] - [ 0.0002169400000000, -0.0003168900000000, 0.0000929700000000 ] - [ 0.0005215800000000, 0.0000427500000000, 0.0001409100000000 ] - [ -0.0001408800000000, 0.0004508800000000, 0.0000943000000000 ] - [ -0.0009530700000000, -0.0008803400000000, 0.0003245300000000 ] - [ 0.0000274100000000, 0.0000796200000000, -0.0004161300000000 ] - [ 0.0001302600000000, 0.0006269500000000, 0.0001498200000000 ] - [ -0.0001251500000000, 0.0002556700000000, -0.0000533900000000 ] - [ 0.0001757600000000, 0.0001129400000000, -0.0001534100000000 ] - [ -0.0003430800000000, 0.0001858500000000, 0.0001771400000000 ] - [ -0.0000750400000000, 0.0002152900000000, 0.0002476000000000 ] - [ -0.0001329600000000, 0.0014455000000000, 0.0003087200000000 ] - [ 0.0001702400000000, 0.0003413000000000, -0.0002327700000000 ] - [ -0.0012915000000000, 0.0004284900000000, 0.0002776800000000 ] - [ -0.0008821100000000, -0.0001183800000000, -0.0005595700000000 ] - [ 0.0001344600000000, -0.0001662900000000, 0.0005477000000000 ] - [ 0.0013476200000000, 0.0329465100000000, 0.0097498300000000 ] - [ -0.0012501100000000, -0.0004086100000000, 0.0048679100000000 ] - [ -0.0003014100000000, 0.0003531200000000, 0.0002014100000000 ] - [ 0.0005180900000000, 0.0001028200000000, -0.0009236800000000 ] - [ 0.0004143400000000, 0.0002389000000000, -0.0001245100000000 ]- atom: 110 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000885400000000, -0.0005712400000000, 0.0000017600000000 ] - [ 0.0011208200000000, 0.0090978800000000, 0.0010297400000000 ] - [ -0.0029122100000000, 0.0003088200000000, 0.0014323200000000 ] - [ 0.0001406400000000, -0.0009077700000000, 0.0002590900000000 ] - [ 0.0000400500000000, 0.0000141900000000, -0.0004493500000000 ] - [ -0.0001582900000000, 0.0022007700000000, 0.0004269700000000 ] - [ -0.0002922300000000, 0.0000141900000000, -0.0010148900000000 ] - [ 0.0004547300000000, 0.0001623500000000, -0.0003522200000000 ] - [ 0.0000307700000000, -0.0004258500000000, -0.0000887900000000 ] - [ -0.0001134200000000, 0.0006223800000000, -0.0002107400000000 ] - [ 0.0000199600000000, -0.0000733500000000, 0.0000744100000000 ] - [ 0.0000228100000000, -0.0009302100000000, 0.0001216600000000 ] - [ 0.0005882200000000, -0.0010144200000000, 0.0000718500000000 ] - [ 0.0000399300000000, -0.0006433000000000, -0.0000241000000000 ] - [ 0.0002806000000000, 0.0004305300000000, 0.0001816000000000 ] - [ -0.0003909300000000, -0.0004271800000000, -0.0000921400000000 ] - [ 0.0000532500000000, 0.0004443300000000, -0.0003090100000000 ] - [ -0.0004064500000000, 0.0003261900000000, 0.0000223700000000 ] - [ -0.0004103400000000, -0.0002113900000000, 0.0001348200000000 ] - [ 0.0000528200000000, -0.0001990200000000, 0.0001175800000000 ] - [ 0.0003058000000000, -0.0002072500000000, -0.0000753000000000 ] - [ -0.0000619500000000, 0.0033665600000000, 0.0004338200000000 ] - [ -0.0000299400000000, 0.0001547400000000, -0.0001623000000000 ] - [ 0.0000659300000000, -0.0011490500000000, 0.0004763100000000 ] - [ 0.0001404200000000, -0.0018625300000000, 0.0004984400000000 ] - [ 0.0001313600000000, -0.0016175200000000, 0.0001322200000000 ] - [ -0.0018579400000000, -0.0077575200000000, -0.0078962900000000 ] - [ -0.0004042700000000, 0.0018443000000000, -0.0002885700000000 ] - [ 0.0026045900000000, -0.0014835700000000, -0.0024882900000000 ] - [ -0.0004056200000000, -0.0007930500000000, -0.0014186600000000 ] - [ -0.0000290300000000, 0.0002810500000000, 0.0018827900000000 ] - [ -0.0000471400000000, 0.0007866700000000, 0.0010810700000000 ] - [ 0.0001304500000000, -0.0009742500000000, -0.0003222600000000 ] - [ -0.0022586300000000, -0.0006912700000000, -0.0015365600000000 ] - [ -0.0000712500000000, -0.0020470600000000, -0.0002019400000000 ] - [ 0.0001220500000000, -0.0017807300000000, -0.0004728900000000 ] - [ -0.0002299200000000, 0.0016008700000000, 0.0004261700000000 ] - [ 0.0002221000000000, -0.0011497900000000, -0.0005644400000000 ] - [ -0.0004208300000000, 0.0039859100000000, -0.0057996900000000 ] - [ -0.0000556000000000, -0.0020812900000000, 0.0015513900000000 ] - [ 0.0005023400000000, -0.0010300200000000, -0.0012935400000000 ] - [ -0.0000146300000000, -0.0010350400000000, 0.0014668500000000 ] - [ -0.0023829800000000, 0.0116411700000000, -0.0101107800000000 ] - [ -0.0009286600000000, -0.0022977200000000, -0.0000781000000000 ] - [ -0.0000714100000000, 0.0003584300000000, -0.0005830500000000 ] - [ 0.0114424300000000, 0.0004476100000000, 0.0063174800000000 ] - [ 0.0005397800000000, -0.0012972700000000, 0.0012508600000000 ] - [ 0.0002994500000000, 0.0028726200000000, 0.0005821500000000 ] - [ -0.0000598700000000, -0.0013897500000000, 0.0000574800000000 ] - [ 0.0002072400000000, -0.0007157900000000, 0.0001311300000000 ] - [ -0.0021392400000000, -0.0015968400000000, 0.0001544600000000 ] - [ -0.0001977400000000, 0.0000696300000000, -0.0006697400000000 ] - [ 0.0023349600000000, 0.0002335900000000, -0.0007695800000000 ] - [ -0.0002680900000000, -0.0004789200000000, 0.0003719300000000 ] - [ -0.0024955400000000, 0.0052802200000000, 0.0003105600000000 ] - [ 0.0007260400000000, -0.0012491300000000, -0.0005448400000000 ] - [ 0.0036945700000000, 0.0053939600000000, -0.0012682200000000 ] - [ 0.0002613500000000, -0.0023212900000000, -0.0001641700000000 ] - [ -0.0014794600000000, 0.0011558000000000, -0.0003747200000000 ] - [ 0.0000106600000000, -0.0010268000000000, 0.0000331700000000 ] - [ -0.0001928400000000, 0.0000639800000000, -0.0003115300000000 ] - [ 0.0009828100000000, -0.0005428100000000, 0.0026483400000000 ] - [ -0.0000230200000000, -0.0010049700000000, 0.0001215500000000 ] - [ -0.0012005800000000, -0.0002386000000000, 0.0021319300000000 ] - [ -0.0005933900000000, -0.0005568400000000, 0.0001243500000000 ] - [ 0.0018745700000000, -0.0028983700000000, 0.0007168400000000 ] - [ -0.0494922200000000, 0.1930634600000000, 0.1222401100000000 ] - [ 0.0001691400000000, 0.0003226900000000, -0.0002504400000000 ] - [ -0.0015727900000000, 0.0006402400000000, 0.0006263400000000 ] - [ -0.0002214800000000, -0.0006017200000000, -0.0000639900000000 ] - [ 0.0017094200000000, 0.0014988300000000, 0.0000034600000000 ] - [ 0.0003191000000000, 0.0008175600000000, 0.0000454600000000 ] - [ 0.0000157100000000, 0.0005361600000000, -0.0008839700000000 ] - [ -0.0001035600000000, -0.0001752300000000, -0.0002864300000000 ] - [ 0.0006101800000000, -0.0004567400000000, -0.0006539000000000 ] - [ -0.0003106800000000, -0.0001499800000000, -0.0007579200000000 ] - [ 0.0000676200000000, -0.0009421200000000, -0.0001553700000000 ] - [ -0.0004701900000000, 0.0006974800000000, 0.0006851400000000 ] - [ 0.0004427500000000, -0.0005324500000000, -0.0000042100000000 ] - [ -0.0005941000000000, -0.0016343300000000, -0.0001863400000000 ] - [ 0.0000102800000000, -0.0003129400000000, -0.0001287900000000 ] - [ -0.0001551100000000, -0.0002791100000000, 0.0022442500000000 ] - [ -0.0000064600000000, 0.0005895100000000, 0.0004693700000000 ] - [ -0.0000326600000000, -0.0005383900000000, -0.0001533200000000 ] - [ -0.0000510000000000, 0.0024360000000000, 0.0016765400000000 ] - [ 0.0001959400000000, 0.0004650600000000, 0.0001852600000000 ] - [ 0.0000626900000000, 0.0002920000000000, 0.0002132600000000 ] - [ -0.0006424300000000, 0.0011268900000000, -0.0002799800000000 ] - [ -0.0000979400000000, 0.0000980700000000, 0.0011552900000000 ] - [ 0.0016550100000000, -0.0021225100000000, -0.0001926900000000 ] - [ 0.0001641400000000, -0.0005074300000000, 0.0006009400000000 ] - [ -0.0003183700000000, -0.0013034000000000, -0.0002483800000000 ] - [ -0.0001613700000000, 0.0008692700000000, 0.0003446500000000 ] - [ -0.0004771800000000, 0.0013997600000000, -0.0007729700000000 ] - [ -0.0007117000000000, -0.0003008000000000, 0.0006957600000000 ] - [ 0.0013478300000000, -0.0016894700000000, 0.0001478500000000 ] - [ 0.0001432400000000, 0.0018086500000000, 0.0002710100000000 ] - [ 0.0002096700000000, -0.0000481000000000, -0.0007139900000000 ] - [ -0.0011487300000000, -0.0013163500000000, 0.0004965500000000 ] - [ -0.0022292900000000, 0.0000437100000000, 0.0022397500000000 ] - [ 0.0000420800000000, 0.0002097000000000, -0.0006478800000000 ] - [ -0.0007013800000000, -0.0029350600000000, 0.0276090100000000 ] - [ 0.0003982400000000, 0.0005268800000000, 0.0004487600000000 ] - [ -0.0001158600000000, 0.0002051500000000, 0.0001931800000000 ] - [ 0.0001381300000000, 0.0006436000000000, -0.0002731500000000 ] - [ -0.0000642200000000, 0.0000274500000000, 0.0002033000000000 ] - [ -0.0008476200000000, -0.0016396800000000, -0.0006856600000000 ] - [ 0.0004421000000000, -0.0003902400000000, 0.0002344900000000 ] - [ 0.0002068200000000, -0.0005699200000000, 0.0002751400000000 ] - [ 0.0819610000000000, -0.2577379800000000, -0.1638673500000000 ] - [ -0.0001642700000000, -0.0006141000000000, 0.0005600500000000 ] - [ 0.0018899800000000, 0.0016485000000000, -0.0010613400000000 ] - [ 0.0002645100000000, 0.0009003100000000, -0.0004006700000000 ] - [ -0.0000760000000000, 0.0012151400000000, 0.0002566000000000 ] - [ -0.0002094300000000, 0.0000015500000000, 0.0006376200000000 ] - [ -0.0000187600000000, 0.0012600700000000, -0.0015438700000000 ] - [ 0.0000200200000000, -0.0007619200000000, 0.0003042900000000 ] - [ 0.0003236500000000, 0.0014064300000000, 0.0003342600000000 ] - [ 0.0048955800000000, -0.0019458000000000, 0.0039211800000000 ] - [ 0.0000107000000000, 0.0004237700000000, 0.0004009000000000 ] - [ 0.0000159400000000, 0.0014604900000000, 0.0001294900000000 ] - [ -0.0001117200000000, 0.0007013300000000, 0.0002028100000000 ] - [ -0.0000657600000000, -0.0006909200000000, -0.0006613000000000 ] - [ 0.0006048900000000, -0.0013861500000000, -0.0009950600000000 ] - [ -0.0003582600000000, 0.0008626000000000, 0.0008598800000000 ] - [ -0.0000765000000000, -0.0000804900000000, -0.0002916800000000 ] - [ 0.0000532300000000, -0.0003857300000000, -0.0004232200000000 ] - [ -0.0002817800000000, 0.0009122000000000, -0.0003014600000000 ] - [ -0.0006637500000000, -0.0007032500000000, 0.0002409000000000 ] - [ 0.0004652400000000, 0.0008402800000000, -0.0001529900000000 ] - [ -0.0001647600000000, -0.0001144400000000, 0.0000188400000000 ] - [ 0.0004364200000000, 0.0007325300000000, -0.0001254400000000 ] - [ -0.0001792100000000, 0.0009309200000000, -0.0001482800000000 ] - [ 0.0003461700000000, -0.0017142100000000, -0.0018326500000000 ] - [ -0.0006599400000000, 0.0008156100000000, -0.0002499800000000 ] - [ -0.0000261800000000, 0.0014045400000000, -0.0000977100000000 ] - [ 0.0009669400000000, 0.0013496000000000, 0.0008391900000000 ] - [ 0.0008099000000000, 0.0009899600000000, -0.0013150400000000 ] - [ -0.0001141900000000, 0.0010518800000000, 0.0000706700000000 ] - [ -0.0000125200000000, 0.0001008800000000, -0.0009003400000000 ] - [ -0.0040053400000000, -0.0011614700000000, 0.0065882600000000 ] - [ -0.0002365900000000, -0.0001175800000000, -0.0000494100000000 ] - [ -0.0001212300000000, -0.0051087200000000, -0.0022951400000000 ] - [ -0.0042218300000000, 0.0040471200000000, 0.0010301300000000 ] - [ -0.0002954300000000, 0.0008034700000000, 0.0000234700000000 ] - [ -0.0025552600000000, -0.0021388800000000, 0.0006403900000000 ] - [ -0.0001607500000000, 0.0002628000000000, 0.0005173600000000 ] - [ -0.0005873500000000, 0.0005239500000000, 0.0002880600000000 ] - [ -0.0002219200000000, 0.0004237600000000, -0.0000823500000000 ] - [ 0.0006298100000000, 0.0002767400000000, 0.0002426200000000 ] - [ 0.0008359200000000, -0.0002364800000000, -0.0014325800000000 ] - [ 0.0002499400000000, -0.0002064100000000, 0.0002816400000000 ] - [ -0.0003695300000000, -0.0002977700000000, -0.0017879400000000 ] - [ 0.0004238600000000, 0.0009900300000000, 0.0000141900000000 ] - [ 0.0025159400000000, 0.0026452200000000, -0.0001478800000000 ] - [ 0.0005369400000000, -0.0000954700000000, 0.0003776000000000 ] - [ 0.0000665000000000, 0.0006844300000000, -0.0000269800000000 ] - [ 0.0011714900000000, 0.0006214300000000, 0.0007890600000000 ] - [ -0.0005589700000000, 0.0016462900000000, 0.0004719500000000 ] - [ 0.0002312800000000, -0.0006085000000000, -0.0007390400000000 ] - [ 0.0001246400000000, 0.0005348400000000, -0.0007338900000000 ] - [ -0.0000483100000000, 0.0022858500000000, 0.0000850200000000 ] - [ -0.0000213900000000, 0.0009733900000000, 0.0000387400000000 ] - [ 0.0001041600000000, 0.0005034900000000, 0.0001066500000000 ] - [ -0.0007121700000000, 0.0006748200000000, 0.0004206300000000 ] - [ -0.0002669800000000, 0.0010350400000000, 0.0004282300000000 ] - [ -0.0019876700000000, 0.0017746000000000, -0.0001466200000000 ] - [ -0.0000834100000000, 0.0008079500000000, -0.0005223700000000 ] - [ -0.0017712000000000, -0.0018679100000000, 0.0002957500000000 ] - [ -0.0006681400000000, -0.0005000500000000, -0.0011631400000000 ] - [ 0.0011487200000000, 0.0000477200000000, 0.0015069800000000 ] - [ -0.0338589400000000, 0.0462778300000000, 0.0193357500000000 ] - [ -0.0001881500000000, -0.0039582600000000, -0.0006494200000000 ] - [ -0.0004203400000000, 0.0004482600000000, 0.0007948000000000 ] - [ 0.0002465100000000, 0.0004250100000000, -0.0017643500000000 ] - [ 0.0004417700000000, 0.0003576800000000, 0.0000512700000000 ]- atom: 110 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001013700000000, 0.0003544700000000, 0.0001851400000000 ] - [ -0.0013655700000000, -0.0093538200000000, -0.0011337500000000 ] - [ 0.0035573800000000, -0.0002568000000000, -0.0015714800000000 ] - [ -0.0000478400000000, 0.0002414900000000, 0.0000184300000000 ] - [ -0.0001325300000000, -0.0006841300000000, 0.0001711300000000 ] - [ -0.0000359300000000, -0.0024196800000000, -0.0006117800000000 ] - [ 0.0001038900000000, 0.0001957600000000, 0.0008305300000000 ] - [ 0.0004156300000000, 0.0001780100000000, 0.0005719600000000 ] - [ 0.0000288500000000, 0.0003183500000000, -0.0000272900000000 ] - [ 0.0000509400000000, -0.0005166600000000, 0.0003240800000000 ] - [ 0.0000716100000000, 0.0007420100000000, 0.0002028400000000 ] - [ 0.0001101600000000, 0.0004867300000000, -0.0000693700000000 ] - [ 0.0002806500000000, 0.0006801000000000, 0.0001497500000000 ] - [ 0.0000189100000000, 0.0007544000000000, -0.0000924600000000 ] - [ -0.0003402600000000, -0.0005443900000000, -0.0000644300000000 ] - [ -0.0002274900000000, 0.0004181400000000, 0.0002368300000000 ] - [ -0.0001837300000000, -0.0008913200000000, 0.0002529600000000 ] - [ -0.0004673100000000, -0.0006589200000000, -0.0002440700000000 ] - [ -0.0004601900000000, 0.0005500900000000, -0.0003573900000000 ] - [ 0.0000795000000000, 0.0006461600000000, -0.0000639500000000 ] - [ 0.0003132600000000, 0.0002164000000000, -0.0000691200000000 ] - [ -0.0000058500000000, -0.0027107100000000, -0.0006968700000000 ] - [ -0.0005866000000000, -0.0001438200000000, 0.0003040400000000 ] - [ 0.0001226000000000, 0.0013662700000000, -0.0002875100000000 ] - [ 0.0003681300000000, 0.0015406500000000, 0.0004035800000000 ] - [ -0.0000468400000000, 0.0011432900000000, 0.0001474300000000 ] - [ 0.0014329700000000, 0.0067421600000000, 0.0085309800000000 ] - [ -0.0001001500000000, -0.0021751400000000, -0.0006237100000000 ] - [ -0.0027015800000000, 0.0019510700000000, 0.0022262000000000 ] - [ 0.0005878100000000, 0.0011197700000000, 0.0005583600000000 ] - [ -0.0001553500000000, 0.0000316200000000, -0.0010360300000000 ] - [ 0.0001629200000000, -0.0004214900000000, -0.0010146700000000 ] - [ -0.0005241400000000, 0.0020025600000000, 0.0009940400000000 ] - [ 0.0017535100000000, 0.0009972100000000, 0.0006409800000000 ] - [ -0.0000424600000000, 0.0016829800000000, 0.0001294700000000 ] - [ 0.0000605100000000, 0.0014646300000000, -0.0003822400000000 ] - [ 0.0006119600000000, -0.0013965900000000, -0.0005309200000000 ] - [ 0.0001688800000000, 0.0001219600000000, -0.0001038700000000 ] - [ 0.0003285000000000, -0.0044847100000000, 0.0055536300000000 ] - [ 0.0004314400000000, 0.0019052200000000, -0.0016656700000000 ] - [ -0.0006142300000000, 0.0014036300000000, 0.0012109500000000 ] - [ 0.0005243300000000, 0.0013665300000000, -0.0005593800000000 ] - [ 0.0025507500000000, -0.0121749000000000, 0.0102281900000000 ] - [ 0.0005606600000000, 0.0024933800000000, 0.0001831300000000 ] - [ -0.0003016200000000, -0.0005336500000000, 0.0006790200000000 ] - [ -0.0110082600000000, 0.0005964600000000, -0.0069345300000000 ] - [ -0.0004538800000000, 0.0017775600000000, -0.0009628400000000 ] - [ -0.0004763900000000, -0.0031881900000000, 0.0002768900000000 ] - [ -0.0002716500000000, 0.0009141500000000, -0.0001057500000000 ] - [ -0.0001454000000000, 0.0010976200000000, 0.0000311700000000 ] - [ 0.0025758100000000, 0.0016751500000000, -0.0008533100000000 ] - [ 0.0004908900000000, -0.0002134200000000, 0.0012117300000000 ] - [ -0.0019212200000000, 0.0004431800000000, 0.0005382200000000 ] - [ -0.0001440700000000, 0.0011547400000000, -0.0001443100000000 ] - [ 0.0028044500000000, -0.0057839100000000, -0.0002680200000000 ] - [ -0.0004371600000000, 0.0004825100000000, 0.0000863400000000 ] - [ -0.0036603300000000, -0.0048265400000000, 0.0010506300000000 ] - [ 0.0001523200000000, 0.0016583700000000, -0.0000580000000000 ] - [ 0.0014201500000000, -0.0007717700000000, 0.0002135300000000 ] - [ -0.0000377900000000, 0.0004256800000000, 0.0001808900000000 ] - [ -0.0001022100000000, 0.0000819800000000, -0.0002305400000000 ] - [ -0.0007038500000000, 0.0006857500000000, -0.0021162900000000 ] - [ -0.0000051900000000, 0.0016130600000000, 0.0000930600000000 ] - [ 0.0007805200000000, -0.0004168800000000, -0.0018864200000000 ] - [ 0.0003031600000000, 0.0004161200000000, -0.0006705200000000 ] - [ -0.0016131700000000, 0.0026308600000000, -0.0008522700000000 ] - [ 0.0459401900000000, -0.1861468900000000, -0.1137705800000000 ] - [ 0.0001250900000000, 0.0004516100000000, -0.0002112500000000 ] - [ 0.0012992300000000, 0.0001231100000000, -0.0001692700000000 ] - [ 0.0004785700000000, 0.0008646200000000, -0.0000745600000000 ] - [ -0.0021366000000000, -0.0015723700000000, 0.0006989500000000 ] - [ 0.0000130300000000, -0.0003433500000000, 0.0000016000000000 ] - [ -0.0002960600000000, -0.0012730800000000, 0.0013192000000000 ] - [ -0.0003327700000000, 0.0002512800000000, 0.0009822000000000 ] - [ -0.0001729000000000, 0.0003785800000000, -0.0000454100000000 ] - [ 0.0000541200000000, -0.0001137200000000, 0.0008981400000000 ] - [ -0.0001313300000000, 0.0005590300000000, -0.0000068800000000 ] - [ 0.0004974700000000, -0.0013098600000000, -0.0009059400000000 ] - [ -0.0003740100000000, 0.0001547600000000, 0.0001660300000000 ] - [ 0.0002619800000000, 0.0021156100000000, 0.0001377500000000 ] - [ 0.0005111500000000, 0.0011053200000000, 0.0001909800000000 ] - [ 0.0000224900000000, 0.0002629300000000, -0.0013903000000000 ] - [ -0.0005606000000000, -0.0007863300000000, -0.0000086000000000 ] - [ -0.0002630500000000, 0.0012986100000000, -0.0000881300000000 ] - [ 0.0001297500000000, -0.0025134000000000, -0.0010138800000000 ] - [ 0.0002729600000000, -0.0003941700000000, 0.0000058800000000 ] - [ 0.0003963000000000, -0.0003761200000000, -0.0004576500000000 ] - [ 0.0001002300000000, -0.0010495600000000, 0.0000746900000000 ] - [ -0.0002853100000000, -0.0001711000000000, -0.0007740200000000 ] - [ -0.0011239600000000, 0.0013469700000000, 0.0002521400000000 ] - [ 0.0000867000000000, 0.0006337300000000, -0.0002918900000000 ] - [ 0.0000673800000000, 0.0023837700000000, 0.0006013200000000 ] - [ -0.0003206500000000, -0.0003671400000000, 0.0004935500000000 ] - [ 0.0010513900000000, -0.0014235500000000, 0.0013581100000000 ] - [ 0.0005601900000000, -0.0008937900000000, -0.0003585300000000 ] - [ -0.0011251000000000, 0.0005823400000000, -0.0005176200000000 ] - [ 0.0001493900000000, -0.0010547100000000, -0.0000264600000000 ] - [ -0.0000600600000000, -0.0011415300000000, 0.0003828200000000 ] - [ 0.0007615600000000, 0.0013935400000000, -0.0001136100000000 ] - [ 0.0018303100000000, 0.0008280800000000, -0.0022889500000000 ] - [ 0.0000917800000000, -0.0001937000000000, -0.0002072900000000 ] - [ 0.0001107900000000, 0.0027319200000000, -0.0282316400000000 ] - [ 0.0001780100000000, -0.0004983500000000, 0.0001394700000000 ] - [ -0.0001087700000000, -0.0013148300000000, 0.0001741700000000 ] - [ 0.0001123900000000, -0.0017168800000000, -0.0000777600000000 ] - [ -0.0001974300000000, 0.0000819300000000, 0.0000005900000000 ] - [ 0.0003706900000000, 0.0017093000000000, 0.0004896400000000 ] - [ 0.0000412700000000, 0.0008942800000000, -0.0010727700000000 ] - [ 0.0000540900000000, 0.0004552400000000, -0.0004769100000000 ] - [ -0.0782811100000000, 0.2518585300000000, 0.1556663000000000 ] - [ -0.0001642700000000, 0.0000682100000000, 0.0000305300000000 ] - [ -0.0013617600000000, -0.0017410300000000, 0.0012770400000000 ] - [ 0.0000635600000000, -0.0003531800000000, -0.0001893000000000 ] - [ 0.0001561500000000, -0.0011390500000000, 0.0004053500000000 ] - [ -0.0002716100000000, -0.0005070100000000, 0.0002017500000000 ] - [ 0.0002887700000000, -0.0011524000000000, 0.0013493200000000 ] - [ 0.0005167100000000, 0.0008329500000000, -0.0000932000000000 ] - [ -0.0000080300000000, -0.0013100300000000, -0.0000017900000000 ] - [ -0.0051857900000000, 0.0012229700000000, -0.0041779000000000 ] - [ 0.0003055900000000, -0.0005286700000000, -0.0000655900000000 ] - [ -0.0005364400000000, -0.0006751800000000, -0.0001893100000000 ] - [ -0.0001793500000000, -0.0009225100000000, 0.0001297900000000 ] - [ -0.0002506400000000, 0.0005956400000000, 0.0003319100000000 ] - [ -0.0004000400000000, 0.0017239700000000, 0.0011182600000000 ] - [ -0.0000404100000000, -0.0017414000000000, -0.0009202500000000 ] - [ -0.0001729000000000, -0.0000600400000000, -0.0000016400000000 ] - [ -0.0001342600000000, 0.0003124800000000, -0.0002384300000000 ] - [ 0.0000350500000000, -0.0007781200000000, 0.0000103100000000 ] - [ 0.0016139300000000, 0.0008554200000000, -0.0001118600000000 ] - [ 0.0004748500000000, -0.0002729400000000, 0.0000262300000000 ] - [ -0.0003036700000000, 0.0000449100000000, -0.0002082100000000 ] - [ -0.0007020800000000, -0.0008468700000000, 0.0003292600000000 ] - [ -0.0000228300000000, -0.0012604500000000, 0.0000268700000000 ] - [ -0.0001942500000000, 0.0028750700000000, 0.0014974700000000 ] - [ -0.0002915400000000, -0.0006643200000000, 0.0001247000000000 ] - [ 0.0002784300000000, -0.0003346900000000, -0.0002517300000000 ] - [ -0.0000243900000000, -0.0015059600000000, -0.0007236400000000 ] - [ -0.0004254500000000, -0.0010669800000000, 0.0009311800000000 ] - [ 0.0003416900000000, 0.0000605200000000, -0.0004397300000000 ] - [ -0.0009403300000000, -0.0002611100000000, 0.0007688800000000 ] - [ 0.0037618900000000, 0.0001044100000000, -0.0062915100000000 ] - [ -0.0003104500000000, 0.0000302800000000, -0.0001558000000000 ] - [ 0.0000791600000000, 0.0051761100000000, 0.0016387700000000 ] - [ 0.0036388400000000, -0.0038275700000000, -0.0005570900000000 ] - [ 0.0000682700000000, 0.0003007100000000, 0.0003428400000000 ] - [ 0.0030023700000000, 0.0022152400000000, -0.0008847900000000 ] - [ -0.0000731000000000, -0.0004152000000000, -0.0000801600000000 ] - [ -0.0003499400000000, -0.0010900700000000, -0.0001615700000000 ] - [ -0.0002988300000000, -0.0012131800000000, 0.0000214000000000 ] - [ -0.0003893800000000, -0.0004097700000000, 0.0000428200000000 ] - [ -0.0006091400000000, 0.0000928800000000, 0.0010057400000000 ] - [ -0.0000141400000000, 0.0003666500000000, -0.0006237200000000 ] - [ 0.0008576400000000, -0.0001990000000000, 0.0009566500000000 ] - [ -0.0000206500000000, -0.0001145500000000, 0.0000374900000000 ] - [ -0.0029699100000000, -0.0027309900000000, 0.0003946700000000 ] - [ -0.0008294700000000, 0.0003137400000000, -0.0000418100000000 ] - [ 0.0002273700000000, -0.0014429200000000, 0.0002696900000000 ] - [ -0.0007009100000000, -0.0006932100000000, -0.0005946700000000 ] - [ 0.0008845200000000, -0.0021901500000000, -0.0010589700000000 ] - [ 0.0000544600000000, 0.0003814200000000, 0.0004028400000000 ] - [ 0.0000084200000000, -0.0005534000000000, -0.0001172600000000 ] - [ -0.0001023300000000, -0.0011018500000000, 0.0002482500000000 ] - [ -0.0001811800000000, -0.0006481700000000, -0.0001587800000000 ] - [ 0.0002798800000000, -0.0004277700000000, -0.0004889800000000 ] - [ 0.0002540600000000, -0.0005894900000000, -0.0001767300000000 ] - [ 0.0000348400000000, -0.0008870900000000, 0.0000047100000000 ] - [ 0.0018706800000000, -0.0017616900000000, 0.0009965800000000 ] - [ 0.0003747400000000, -0.0005869000000000, 0.0001908400000000 ] - [ 0.0019707500000000, 0.0015535800000000, -0.0001753100000000 ] - [ 0.0015990300000000, -0.0000699400000000, 0.0010265400000000 ] - [ -0.0020868900000000, 0.0005091600000000, -0.0013836800000000 ] - [ 0.0337262300000000, -0.0456997200000000, -0.0194011300000000 ] - [ -0.0001604200000000, 0.0040641700000000, 0.0003427800000000 ] - [ -0.0001552800000000, -0.0004749900000000, -0.0013873300000000 ] - [ 0.0001656400000000, -0.0013038300000000, 0.0018032500000000 ] - [ 0.0001255700000000, -0.0001585300000000, -0.0005138500000000 ]- atom: 110 displacement: [ -0.0035230240541542, 0.0000000000000000, 0.0093588621911988 ] forces: - [ 0.0001082000000000, -0.0002618700000000, -0.0001051000000000 ] - [ -0.0006858200000000, 0.0000909200000000, 0.0024800200000000 ] - [ -0.0007030100000000, 0.0020060700000000, 0.0034804000000000 ] - [ 0.0000989300000000, -0.0005351100000000, 0.0004019800000000 ] - [ 0.0001981200000000, -0.0004001900000000, -0.0009519900000000 ] - [ 0.0026638500000000, 0.0005160300000000, -0.0006832100000000 ] - [ -0.0006060400000000, -0.0013102600000000, -0.0009780200000000 ] - [ 0.0006484300000000, 0.0000092700000000, -0.0008810900000000 ] - [ 0.0001041300000000, -0.0000980900000000, -0.0002544100000000 ] - [ -0.0007806200000000, 0.0001038700000000, -0.0010593400000000 ] - [ 0.0000152800000000, 0.0001961200000000, -0.0000399300000000 ] - [ 0.0000973600000000, -0.0005100500000000, 0.0001343700000000 ] - [ 0.0004270300000000, -0.0004412200000000, 0.0003587800000000 ] - [ -0.0000188500000000, -0.0002627900000000, 0.0000883700000000 ] - [ 0.0001085300000000, -0.0000003800000000, 0.0009327300000000 ] - [ -0.0003361800000000, -0.0002658500000000, -0.0000451500000000 ] - [ 0.0006332400000000, -0.0000956700000000, -0.0013912600000000 ] - [ -0.0011491200000000, 0.0006259500000000, -0.0005562100000000 ] - [ -0.0003967800000000, 0.0001716900000000, 0.0000378200000000 ] - [ -0.0000583400000000, 0.0003966800000000, -0.0000983800000000 ] - [ 0.0003795500000000, -0.0000079300000000, -0.0004163800000000 ] - [ -0.0015625000000000, 0.0014175700000000, 0.0033671200000000 ] - [ -0.0001900800000000, -0.0000361800000000, 0.0001843200000000 ] - [ 0.0000809800000000, -0.0004397600000000, 0.0007432200000000 ] - [ 0.0001758800000000, -0.0009073200000000, 0.0001737700000000 ] - [ 0.0000089400000000, -0.0007546200000000, 0.0000088800000000 ] - [ 0.0020316100000000, -0.0119149900000000, -0.0032712900000000 ] - [ -0.0013178300000000, 0.0006958100000000, -0.0023763500000000 ] - [ 0.0023915200000000, -0.0045429200000000, 0.0005462600000000 ] - [ -0.0008213100000000, -0.0013692400000000, -0.0015708900000000 ] - [ -0.0010284400000000, 0.0016013100000000, -0.0000207900000000 ] - [ 0.0012459700000000, 0.0014574900000000, -0.0009258700000000 ] - [ -0.0001247000000000, -0.0005973300000000, -0.0002095200000000 ] - [ -0.0013711300000000, -0.0020343600000000, -0.0002487000000000 ] - [ -0.0001468300000000, -0.0007556100000000, 0.0001532400000000 ] - [ 0.0001842500000000, -0.0008811300000000, -0.0002272300000000 ] - [ 0.0019217300000000, 0.0044796700000000, -0.0027575500000000 ] - [ 0.0001951100000000, -0.0008200900000000, -0.0011842400000000 ] - [ 0.0001903200000000, 0.0033148600000000, -0.0153656100000000 ] - [ 0.0001794800000000, 0.0002740300000000, 0.0006137300000000 ] - [ 0.0006985700000000, -0.0007346100000000, -0.0011762700000000 ] - [ 0.0006317200000000, 0.0009750700000000, 0.0014837000000000 ] - [ -0.0000298700000000, -0.0014767200000000, 0.0205822600000000 ] - [ -0.0002596800000000, -0.0005644000000000, 0.0008354900000000 ] - [ -0.0003605400000000, 0.0009516200000000, -0.0025319500000000 ] - [ 0.0060233100000000, 0.0011324300000000, 0.0057952300000000 ] - [ 0.0001016800000000, 0.0003597400000000, 0.0009599400000000 ] - [ 0.0028547900000000, 0.0021223300000000, 0.0006519300000000 ] - [ -0.0000814300000000, -0.0005218800000000, 0.0000032000000000 ] - [ -0.0000738700000000, 0.0000164900000000, 0.0000659400000000 ] - [ -0.0020756900000000, -0.0015291800000000, 0.0011513200000000 ] - [ 0.0006266300000000, -0.0009158500000000, -0.0032332300000000 ] - [ 0.0036127300000000, -0.0008782200000000, -0.0013081600000000 ] - [ -0.0000480600000000, 0.0003940600000000, -0.0000300100000000 ] - [ -0.0026109700000000, 0.0010630800000000, 0.0007543500000000 ] - [ 0.0003265400000000, -0.0005172200000000, -0.0000233100000000 ] - [ 0.0067623200000000, -0.0013442000000000, -0.0017869100000000 ] - [ -0.0001707400000000, -0.0013662800000000, 0.0003419700000000 ] - [ -0.0032280800000000, -0.0002430500000000, -0.0008541900000000 ] - [ -0.0000935000000000, -0.0005489700000000, 0.0000487500000000 ] - [ -0.0005506600000000, 0.0002090600000000, -0.0009968200000000 ] - [ 0.0000339800000000, -0.0000946300000000, 0.0025053100000000 ] - [ -0.0000334500000000, -0.0000348200000000, 0.0001297800000000 ] - [ -0.0019172300000000, 0.0040760200000000, 0.0033139200000000 ] - [ -0.0002608000000000, -0.0002477700000000, 0.0001443800000000 ] - [ 0.0014665100000000, -0.0020533500000000, 0.0010012500000000 ] - [ -0.0618431800000000, 0.1249767900000000, 0.1618061200000000 ] - [ 0.0005007900000000, 0.0010598600000000, -0.0011107400000000 ] - [ -0.0000402800000000, 0.0012867600000000, 0.0017549700000000 ] - [ -0.0000886600000000, -0.0001756300000000, -0.0003652500000000 ] - [ 0.0014886600000000, 0.0004093600000000, 0.0028671200000000 ] - [ 0.0001709600000000, 0.0006333300000000, -0.0001242300000000 ] - [ 0.0008822000000000, 0.0047132500000000, -0.0050178500000000 ] - [ -0.0004765400000000, -0.0003069300000000, -0.0010683500000000 ] - [ 0.0004576300000000, -0.0003189400000000, -0.0008117000000000 ] - [ -0.0003569600000000, -0.0000960300000000, -0.0014366900000000 ] - [ 0.0001821800000000, -0.0011601000000000, -0.0000407000000000 ] - [ 0.0003345100000000, 0.0023308100000000, -0.0006884700000000 ] - [ 0.0010545500000000, 0.0005089200000000, 0.0001002200000000 ] - [ -0.0005741700000000, -0.0014929600000000, -0.0001244800000000 ] - [ 0.0004122200000000, 0.0000648800000000, 0.0004738500000000 ] - [ -0.0005941700000000, 0.0005643200000000, 0.0058068700000000 ] - [ -0.0000547700000000, 0.0002684500000000, 0.0005198000000000 ] - [ -0.0003252000000000, -0.0000373800000000, 0.0003996800000000 ] - [ -0.0001713500000000, 0.0024783900000000, 0.0018602400000000 ] - [ 0.0002320600000000, 0.0002208500000000, 0.0003069200000000 ] - [ 0.0002458600000000, 0.0003813100000000, 0.0005178800000000 ] - [ -0.0004623300000000, 0.0002396800000000, -0.0004157200000000 ] - [ -0.0000088700000000, 0.0005373800000000, 0.0013866900000000 ] - [ 0.0018870200000000, -0.0003157800000000, -0.0003866600000000 ] - [ 0.0011860900000000, -0.0016146800000000, 0.0041489500000000 ] - [ -0.0011199300000000, -0.0017762500000000, 0.0013777200000000 ] - [ -0.0002349100000000, 0.0004708300000000, 0.0001371200000000 ] - [ -0.0002036400000000, 0.0006597100000000, -0.0012005800000000 ] - [ -0.0011802500000000, 0.0004736600000000, 0.0012240200000000 ] - [ 0.0029184900000000, -0.0007221600000000, 0.0013873400000000 ] - [ -0.0000290400000000, 0.0014121500000000, 0.0002834900000000 ] - [ -0.0000231000000000, -0.0008974800000000, -0.0002222300000000 ] - [ -0.0001421500000000, 0.0000996400000000, -0.0008252200000000 ] - [ -0.0041636400000000, 0.0015819200000000, 0.0029806800000000 ] - [ 0.0001279000000000, -0.0000971600000000, 0.0000193400000000 ] - [ 0.0053813700000000, 0.0330275400000000, 0.0528504700000000 ] - [ 0.0003749900000000, 0.0002382000000000, 0.0006778000000000 ] - [ -0.0000154800000000, -0.0003887700000000, 0.0002266400000000 ] - [ 0.0001238900000000, -0.0003200800000000, -0.0003153200000000 ] - [ 0.0002024000000000, -0.0001967400000000, 0.0007400700000000 ] - [ -0.0019001100000000, -0.0005729600000000, -0.0027735100000000 ] - [ 0.0004757700000000, 0.0000524500000000, 0.0013379500000000 ] - [ -0.0015322700000000, -0.0000938000000000, 0.0019880100000000 ] - [ 0.0571009600000000, -0.1820681500000000, -0.2456155200000000 ] - [ -0.0003647900000000, -0.0005220300000000, 0.0016109500000000 ] - [ 0.0003913500000000, -0.0000894500000000, -0.0006429900000000 ] - [ 0.0002374000000000, 0.0004068600000000, -0.0002142800000000 ] - [ 0.0000511400000000, 0.0004221600000000, 0.0002583500000000 ] - [ 0.0000508500000000, -0.0000838900000000, 0.0011913300000000 ] - [ 0.0005502700000000, 0.0000859700000000, -0.0009921500000000 ] - [ -0.0006025500000000, -0.0018648500000000, 0.0020736400000000 ] - [ 0.0002073500000000, 0.0004167300000000, 0.0001312500000000 ] - [ 0.0053316700000000, 0.0023525600000000, -0.0004264900000000 ] - [ 0.0001211600000000, 0.0000313800000000, 0.0005558000000000 ] - [ 0.0000654900000000, 0.0011733200000000, 0.0000902800000000 ] - [ -0.0004153400000000, 0.0006088700000000, -0.0000019900000000 ] - [ -0.0004736900000000, -0.0019385900000000, -0.0001707800000000 ] - [ 0.0007436000000000, -0.0024571800000000, 0.0011327700000000 ] - [ 0.0002367100000000, 0.0007891200000000, -0.0000557900000000 ] - [ -0.0003224800000000, -0.0008688900000000, 0.0002845500000000 ] - [ -0.0001580100000000, -0.0005029500000000, -0.0000189800000000 ] - [ -0.0001888400000000, 0.0002087400000000, -0.0003719400000000 ] - [ -0.0011873200000000, -0.0001629400000000, 0.0009801900000000 ] - [ 0.0006817900000000, 0.0003244400000000, 0.0000968800000000 ] - [ 0.0000510000000000, -0.0001407000000000, 0.0011244300000000 ] - [ 0.0000594400000000, 0.0002217000000000, -0.0002049400000000 ] - [ -0.0001315100000000, 0.0000975100000000, -0.0001988800000000 ] - [ 0.0007323000000000, -0.0073566900000000, 0.0001274500000000 ] - [ -0.0005556200000000, 0.0001858300000000, -0.0000007500000000 ] - [ 0.0000707800000000, 0.0009334900000000, -0.0000772700000000 ] - [ 0.0005049600000000, 0.0007819900000000, -0.0002594200000000 ] - [ 0.0008307200000000, 0.0004300600000000, -0.0021407200000000 ] - [ -0.0003443900000000, 0.0014043100000000, -0.0002459400000000 ] - [ -0.0012236400000000, -0.0021498300000000, -0.0009863900000000 ] - [ -0.0061341600000000, 0.0056005200000000, 0.0067902900000000 ] - [ -0.0002773400000000, -0.0008386600000000, 0.0007854300000000 ] - [ 0.0039066600000000, -0.0031156900000000, -0.0033959200000000 ] - [ -0.0033355700000000, 0.0020613300000000, -0.0005103500000000 ] - [ -0.0004625000000000, -0.0000581000000000, 0.0000174300000000 ] - [ -0.0015549600000000, -0.0008107900000000, -0.0008962000000000 ] - [ -0.0003640200000000, -0.0002989700000000, 0.0012677000000000 ] - [ -0.0005709600000000, 0.0005513000000000, 0.0001067000000000 ] - [ -0.0002984900000000, -0.0003068200000000, -0.0000596700000000 ] - [ -0.0000613200000000, 0.0001249400000000, -0.0011213400000000 ] - [ -0.0003169500000000, -0.0012235800000000, -0.0009113500000000 ] - [ 0.0003333400000000, -0.0003461600000000, 0.0127075300000000 ] - [ 0.0002017100000000, -0.0007633300000000, -0.0013831900000000 ] - [ 0.0000878300000000, 0.0005459500000000, 0.0002405600000000 ] - [ 0.0029767700000000, 0.0027670700000000, -0.0015078500000000 ] - [ 0.0018189700000000, 0.0007014900000000, 0.0007364100000000 ] - [ 0.0001633500000000, -0.0003235400000000, -0.0000080900000000 ] - [ 0.0010377100000000, 0.0005677700000000, 0.0001602300000000 ] - [ -0.0003036500000000, 0.0006938600000000, -0.0001289500000000 ] - [ -0.0009389800000000, -0.0013579200000000, -0.0003788600000000 ] - [ 0.0000912000000000, 0.0001963100000000, -0.0007398800000000 ] - [ 0.0000714800000000, 0.0014961100000000, -0.0001852500000000 ] - [ 0.0000701800000000, 0.0006634300000000, 0.0000973300000000 ] - [ 0.0001079000000000, 0.0002598000000000, 0.0003408800000000 ] - [ -0.0005907200000000, 0.0004368800000000, 0.0004670400000000 ] - [ -0.0001336600000000, 0.0003189100000000, -0.0000769600000000 ] - [ -0.0001977300000000, 0.0009187800000000, -0.0020015800000000 ] - [ 0.0001854300000000, 0.0000917200000000, -0.0001239800000000 ] - [ -0.0040698900000000, 0.0008888100000000, 0.0000394900000000 ] - [ -0.0004094600000000, -0.0009043200000000, -0.0009320400000000 ] - [ 0.0020144900000000, 0.0021091800000000, 0.0027089000000000 ] - [ -0.0074419000000000, 0.0262910100000000, -0.0108586100000000 ] - [ -0.0067733700000000, -0.0019909900000000, 0.0061530500000000 ] - [ -0.0003866100000000, 0.0008332100000000, 0.0011940900000000 ] - [ 0.0017546700000000, -0.0012492300000000, -0.0021662000000000 ] - [ 0.0005162400000000, 0.0003510700000000, 0.0003739800000000 ]- atom: 110 displacement: [ 0.0035230240541542, 0.0000000000000000, -0.0093588621911988 ] forces: - [ 0.0000814400000000, 0.0000471000000000, 0.0002911500000000 ] - [ 0.0005565000000000, 0.0003800700000000, -0.0025450800000000 ] - [ 0.0013497900000000, -0.0019879200000000, -0.0036493200000000 ] - [ -0.0000074400000000, -0.0001290400000000, -0.0001230900000000 ] - [ -0.0002921600000000, -0.0002619300000000, 0.0006738500000000 ] - [ -0.0028523200000000, -0.0007325400000000, 0.0005046600000000 ] - [ 0.0004203300000000, 0.0015377500000000, 0.0007952700000000 ] - [ 0.0002205200000000, 0.0003236800000000, 0.0011008800000000 ] - [ -0.0000456900000000, -0.0000066000000000, 0.0001401700000000 ] - [ 0.0007258300000000, 0.0000030100000000, 0.0011771000000000 ] - [ 0.0000765400000000, 0.0004683700000000, 0.0003198000000000 ] - [ 0.0000311700000000, 0.0000697000000000, -0.0000797400000000 ] - [ 0.0004423300000000, 0.0001040700000000, -0.0001426100000000 ] - [ 0.0000777100000000, 0.0003668800000000, -0.0002020300000000 ] - [ -0.0001623100000000, -0.0001059300000000, -0.0008244200000000 ] - [ -0.0002833300000000, 0.0002569600000000, 0.0001883800000000 ] - [ -0.0007644900000000, -0.0003437000000000, 0.0013438000000000 ] - [ 0.0002880600000000, -0.0009681700000000, 0.0003381000000000 ] - [ -0.0004712800000000, 0.0001624100000000, -0.0002555700000000 ] - [ 0.0001877500000000, 0.0000413800000000, 0.0001520500000000 ] - [ 0.0002395600000000, 0.0000184700000000, 0.0002737200000000 ] - [ 0.0015086800000000, -0.0007612500000000, -0.0036269200000000 ] - [ -0.0004313600000000, 0.0000473400000000, -0.0000368300000000 ] - [ 0.0001093700000000, 0.0006568800000000, -0.0005607200000000 ] - [ 0.0003481300000000, 0.0005856200000000, 0.0007480400000000 ] - [ 0.0000606200000000, 0.0002800100000000, 0.0002818700000000 ] - [ -0.0023708100000000, 0.0108927500000000, 0.0039996900000000 ] - [ 0.0007947800000000, -0.0010103200000000, 0.0014851900000000 ] - [ -0.0024718800000000, 0.0050445700000000, -0.0008620700000000 ] - [ 0.0010070200000000, 0.0016783500000000, 0.0007063500000000 ] - [ 0.0008416700000000, -0.0012900300000000, 0.0009066400000000 ] - [ -0.0011294500000000, -0.0010807700000000, 0.0010231900000000 ] - [ -0.0002473200000000, 0.0016276800000000, 0.0008722200000000 ] - [ 0.0008494900000000, 0.0023670400000000, -0.0006781200000000 ] - [ 0.0000310000000000, 0.0003803100000000, -0.0002437400000000 ] - [ 0.0000009600000000, 0.0005683200000000, -0.0006465900000000 ] - [ -0.0015415500000000, -0.0043290600000000, 0.0026796300000000 ] - [ 0.0001773600000000, -0.0002025000000000, 0.0005246500000000 ] - [ -0.0002587700000000, -0.0037663900000000, 0.0150625800000000 ] - [ 0.0002157000000000, -0.0004627700000000, -0.0006937200000000 ] - [ -0.0008165500000000, 0.0011080800000000, 0.0010992900000000 ] - [ -0.0001125500000000, -0.0006586200000000, -0.0005734600000000 ] - [ -0.0004119700000000, 0.0013198000000000, -0.0219991800000000 ] - [ -0.0001411700000000, 0.0007450200000000, -0.0007542700000000 ] - [ -0.0000360200000000, -0.0011465200000000, 0.0026312200000000 ] - [ -0.0057170500000000, -0.0000930200000000, -0.0065187600000000 ] - [ -0.0000306400000000, 0.0001135400000000, -0.0006809200000000 ] - [ -0.0030583300000000, -0.0024462400000000, 0.0001940600000000 ] - [ -0.0002350800000000, 0.0000449700000000, -0.0000573600000000 ] - [ 0.0001456500000000, 0.0003783400000000, 0.0001030500000000 ] - [ 0.0025358300000000, 0.0016053500000000, -0.0018464100000000 ] - [ -0.0003374700000000, 0.0007862900000000, 0.0037804100000000 ] - [ -0.0031951900000000, 0.0015395400000000, 0.0010729100000000 ] - [ -0.0003731800000000, 0.0002666400000000, 0.0002701000000000 ] - [ 0.0029376500000000, -0.0015485600000000, -0.0007099100000000 ] - [ -0.0000254000000000, -0.0002643100000000, -0.0004329700000000 ] - [ -0.0067676300000000, 0.0019750100000000, 0.0015579400000000 ] - [ 0.0005942300000000, 0.0007039300000000, -0.0005859800000000 ] - [ 0.0031505500000000, 0.0006415200000000, 0.0006840800000000 ] - [ 0.0000618200000000, -0.0000663400000000, 0.0001679000000000 ] - [ 0.0002599600000000, -0.0000786300000000, 0.0004514000000000 ] - [ 0.0002597100000000, 0.0002211700000000, -0.0019584700000000 ] - [ 0.0000010000000000, 0.0006477900000000, 0.0000861800000000 ] - [ 0.0015102100000000, -0.0047769000000000, -0.0031021700000000 ] - [ -0.0000315600000000, 0.0001157200000000, -0.0006900000000000 ] - [ -0.0012222100000000, 0.0018078900000000, -0.0011491900000000 ] - [ 0.0593982200000000, -0.1161515400000000, -0.1563142500000000 ] - [ -0.0002047300000000, -0.0002844200000000, 0.0006576100000000 ] - [ -0.0002676700000000, -0.0005060400000000, -0.0013028100000000 ] - [ 0.0003427400000000, 0.0004361700000000, 0.0002242800000000 ] - [ -0.0019382200000000, -0.0004797400000000, -0.0021706900000000 ] - [ 0.0001466600000000, -0.0001554600000000, 0.0001798000000000 ] - [ -0.0011856400000000, -0.0055286100000000, 0.0055096700000000 ] - [ 0.0000272200000000, 0.0003775400000000, 0.0017661000000000 ] - [ -0.0000075100000000, 0.0002495200000000, 0.0001174100000000 ] - [ 0.0001049500000000, -0.0001601700000000, 0.0015818900000000 ] - [ -0.0002540200000000, 0.0007675500000000, -0.0001289400000000 ] - [ -0.0003093000000000, -0.0029421500000000, 0.0004739100000000 ] - [ -0.0009880800000000, -0.0009050300000000, 0.0000680800000000 ] - [ 0.0002585800000000, 0.0019711100000000, 0.0000709700000000 ] - [ 0.0000596400000000, 0.0007356100000000, -0.0004141000000000 ] - [ 0.0004637500000000, -0.0005828700000000, -0.0049773500000000 ] - [ -0.0004988100000000, -0.0004409700000000, -0.0000466300000000 ] - [ 0.0000524900000000, 0.0008123400000000, -0.0006468700000000 ] - [ 0.0002404000000000, -0.0026064600000000, -0.0012016500000000 ] - [ 0.0002545500000000, -0.0001495800000000, -0.0000913600000000 ] - [ 0.0002425000000000, -0.0004917600000000, -0.0007735800000000 ] - [ -0.0000976900000000, -0.0001523200000000, 0.0002086800000000 ] - [ -0.0003844200000000, -0.0006110400000000, -0.0009756500000000 ] - [ -0.0014208700000000, -0.0004858600000000, 0.0004555100000000 ] - [ -0.0009652200000000, 0.0017629300000000, -0.0038952800000000 ] - [ 0.0008428800000000, 0.0028559800000000, -0.0010357000000000 ] - [ -0.0002475900000000, 0.0000399100000000, 0.0006979400000000 ] - [ 0.0007758700000000, -0.0006936100000000, 0.0017799800000000 ] - [ 0.0010305600000000, -0.0016518500000000, -0.0008916300000000 ] - [ -0.0026920000000000, -0.0004079700000000, -0.0017610000000000 ] - [ 0.0002988600000000, -0.0006350300000000, -0.0000414800000000 ] - [ 0.0001757300000000, -0.0002810800000000, -0.0001184400000000 ] - [ -0.0002565700000000, -0.0000344600000000, 0.0012276600000000 ] - [ 0.0037707800000000, -0.0007116400000000, -0.0030456000000000 ] - [ 0.0000018300000000, 0.0001174700000000, -0.0008481800000000 ] - [ -0.0057380400000000, -0.0324126100000000, -0.0527413500000000 ] - [ 0.0001949500000000, -0.0002113000000000, -0.0001072300000000 ] - [ -0.0002042500000000, -0.0007367700000000, 0.0001410000000000 ] - [ 0.0001501200000000, -0.0007631100000000, -0.0000310300000000 ] - [ -0.0004444500000000, 0.0002913400000000, -0.0005471200000000 ] - [ 0.0014023700000000, 0.0006445900000000, 0.0025761200000000 ] - [ 0.0000069500000000, 0.0004575500000000, -0.0021708000000000 ] - [ 0.0017794600000000, 0.0000067900000000, -0.0021868700000000 ] - [ -0.0552672400000000, 0.1734110900000000, 0.2421926500000000 ] - [ 0.0000319800000000, -0.0000250300000000, -0.0010289100000000 ] - [ 0.0001812600000000, 0.0000065000000000, 0.0008478000000000 ] - [ 0.0000943000000000, 0.0001343700000000, -0.0003700300000000 ] - [ 0.0000169700000000, -0.0002983100000000, 0.0004055800000000 ] - [ -0.0005322400000000, -0.0004253900000000, -0.0003566000000000 ] - [ -0.0003121900000000, 0.0000084200000000, 0.0007942300000000 ] - [ 0.0011753900000000, 0.0019695000000000, -0.0018780400000000 ] - [ 0.0001176000000000, -0.0002786400000000, 0.0002018100000000 ] - [ -0.0056425000000000, -0.0031574500000000, 0.0002142900000000 ] - [ 0.0002047200000000, -0.0001689100000000, -0.0002275100000000 ] - [ -0.0005400700000000, -0.0003713000000000, -0.0001572100000000 ] - [ 0.0001410400000000, -0.0008512300000000, 0.0003344400000000 ] - [ 0.0001505400000000, 0.0017972800000000, -0.0001643300000000 ] - [ -0.0005170900000000, 0.0027858800000000, -0.0010283000000000 ] - [ -0.0006280500000000, -0.0016598400000000, 0.0000026000000000 ] - [ 0.0000936500000000, 0.0007380500000000, -0.0005670800000000 ] - [ 0.0000882500000000, 0.0003812700000000, -0.0006461500000000 ] - [ -0.0000419600000000, -0.0000700900000000, 0.0000881600000000 ] - [ 0.0021325000000000, 0.0003066800000000, -0.0008644300000000 ] - [ 0.0002817300000000, 0.0002629700000000, -0.0002311000000000 ] - [ -0.0005377900000000, 0.0000676700000000, -0.0013470600000000 ] - [ -0.0002959200000000, -0.0003101900000000, 0.0003985200000000 ] - [ -0.0000840400000000, -0.0004282100000000, 0.0000828200000000 ] - [ -0.0005829900000000, 0.0086150200000000, -0.0004625800000000 ] - [ -0.0003860500000000, -0.0000424000000000, -0.0001235500000000 ] - [ 0.0002076500000000, 0.0001529100000000, -0.0002723200000000 ] - [ 0.0004421900000000, -0.0009270500000000, 0.0003890900000000 ] - [ -0.0004388100000000, -0.0005009600000000, 0.0017302100000000 ] - [ 0.0005657300000000, -0.0002801300000000, -0.0001196500000000 ] - [ 0.0002937500000000, 0.0020262700000000, 0.0008748400000000 ] - [ 0.0059343200000000, -0.0067861000000000, -0.0065249300000000 ] - [ -0.0002843600000000, 0.0007588000000000, -0.0009966300000000 ] - [ -0.0040037000000000, 0.0032592800000000, 0.0027789300000000 ] - [ 0.0028001800000000, -0.0019159700000000, 0.0009717300000000 ] - [ 0.0002456700000000, 0.0011825700000000, 0.0003520700000000 ] - [ 0.0020479100000000, 0.0009188100000000, 0.0006434600000000 ] - [ 0.0001320700000000, 0.0001669700000000, -0.0008461500000000 ] - [ -0.0003925200000000, -0.0011416500000000, 0.0000268100000000 ] - [ -0.0001738000000000, -0.0004946400000000, -0.0000053800000000 ] - [ 0.0002917500000000, -0.0002631700000000, 0.0014089300000000 ] - [ 0.0005515500000000, 0.0010938800000000, 0.0004826300000000 ] - [ -0.0000951900000000, 0.0004648500000000, -0.0132562400000000 ] - [ 0.0002796400000000, 0.0002609100000000, 0.0005445900000000 ] - [ 0.0003019900000000, 0.0003212600000000, -0.0001836700000000 ] - [ -0.0034730800000000, -0.0028834800000000, 0.0017566200000000 ] - [ -0.0020952800000000, -0.0004616000000000, -0.0004100800000000 ] - [ 0.0001071400000000, -0.0004524900000000, 0.0002518200000000 ] - [ -0.0005514400000000, -0.0006398500000000, 0.0000533900000000 ] - [ 0.0006395000000000, -0.0012444600000000, -0.0004611800000000 ] - [ 0.0012206800000000, 0.0011238100000000, 0.0000576700000000 ] - [ 0.0000398800000000, -0.0002143500000000, -0.0000934600000000 ] - [ -0.0002231600000000, -0.0003177500000000, 0.0005248500000000 ] - [ -0.0002873000000000, -0.0003307800000000, -0.0002150000000000 ] - [ 0.0002854600000000, -0.0001929100000000, -0.0007584300000000 ] - [ 0.0001049400000000, -0.0003320900000000, -0.0002154200000000 ] - [ -0.0001005800000000, -0.0001826000000000, 0.0005063000000000 ] - [ 0.0000573700000000, -0.0008896600000000, 0.0028467500000000 ] - [ 0.0000898300000000, 0.0001487700000000, -0.0002096200000000 ] - [ 0.0043160200000000, -0.0012305900000000, 0.0000836700000000 ] - [ 0.0013788100000000, 0.0003191700000000, 0.0008093300000000 ] - [ -0.0029716200000000, -0.0015102900000000, -0.0025700500000000 ] - [ 0.0082267700000000, -0.0266620200000000, 0.0101365600000000 ] - [ 0.0065428600000000, 0.0021520400000000, -0.0065532200000000 ] - [ -0.0001832200000000, -0.0008666700000000, -0.0017722800000000 ] - [ -0.0013814200000000, 0.0003886900000000, 0.0022432300000000 ] - [ 0.0000363600000000, -0.0001796200000000, -0.0008487200000000 ]- atom: 118 displacement: [ 0.0099999639143206, 0.0000000000000000, -0.0000268647033593 ] forces: - [ -0.0003205300000000, -0.0000653400000000, 0.0002515200000000 ] - [ -0.0001291000000000, -0.0002002700000000, -0.0001740900000000 ] - [ 0.0002184700000000, -0.0000141800000000, -0.0000650500000000 ] - [ -0.0007798700000000, -0.0012867100000000, 0.0015041400000000 ] - [ -0.0000795700000000, -0.0002874100000000, -0.0002482100000000 ] - [ -0.0000685700000000, -0.0001940400000000, -0.0000807000000000 ] - [ -0.0000539300000000, -0.0001989700000000, 0.0000908400000000 ] - [ 0.0003932600000000, 0.0001128600000000, 0.0000685500000000 ] - [ -0.0004627300000000, -0.0006110700000000, -0.0008540300000000 ] - [ -0.0000022200000000, 0.0000073500000000, 0.0000544200000000 ] - [ 0.0009997700000000, 0.0003523700000000, -0.0000496800000000 ] - [ 0.0010695600000000, -0.0001585600000000, 0.0002657800000000 ] - [ -0.0013077500000000, -0.0002402000000000, -0.0003222400000000 ] - [ -0.0010102300000000, 0.0001106400000000, -0.0001213700000000 ] - [ -0.0000090200000000, 0.0000071100000000, 0.0001454600000000 ] - [ 0.0022346000000000, 0.0003556000000000, -0.0003641700000000 ] - [ -0.0000810000000000, -0.0002832500000000, -0.0000318600000000 ] - [ -0.0003398100000000, -0.0002582700000000, -0.0001455600000000 ] - [ -0.0004165000000000, 0.0007152500000000, 0.0003555700000000 ] - [ 0.0000670900000000, 0.0012787900000000, 0.0007069500000000 ] - [ 0.0002433300000000, 0.0002075100000000, -0.0003029900000000 ] - [ -0.0000844800000000, 0.0002767600000000, -0.0001385200000000 ] - [ -0.0003381100000000, -0.0001335000000000, 0.0001847000000000 ] - [ -0.0001436100000000, 0.0012519400000000, -0.0005236100000000 ] - [ 0.0002095900000000, 0.0002094600000000, -0.0013371400000000 ] - [ -0.0001414400000000, 0.0000035800000000, 0.0027245300000000 ] - [ -0.0000223600000000, -0.0005304200000000, 0.0003155300000000 ] - [ -0.0002335400000000, -0.0003207400000000, -0.0003761600000000 ] - [ -0.0020907400000000, 0.0002008400000000, -0.0002106800000000 ] - [ 0.0000488700000000, 0.0001503700000000, -0.0004248900000000 ] - [ -0.0002076700000000, 0.0000958000000000, 0.0003403400000000 ] - [ 0.0001198200000000, 0.0000771900000000, 0.0000116300000000 ] - [ -0.0038558100000000, -0.0004924100000000, 0.0016928000000000 ] - [ 0.0020190400000000, 0.0007093900000000, -0.0002138700000000 ] - [ 0.0053670000000000, -0.0012129800000000, 0.0018465200000000 ] - [ -0.0173982600000000, 0.0027219700000000, -0.0021093200000000 ] - [ -0.0001551900000000, 0.0001380800000000, -0.0001058800000000 ] - [ 0.0002821800000000, -0.0012434300000000, 0.0006194400000000 ] - [ -0.0000679100000000, -0.0004132200000000, -0.0001774400000000 ] - [ 0.0000441600000000, -0.0011374100000000, -0.0012535200000000 ] - [ 0.0000865200000000, 0.0001859800000000, 0.0002959000000000 ] - [ -0.0029532600000000, 0.0007478500000000, 0.0001923700000000 ] - [ 0.0000907400000000, -0.0003574000000000, 0.0000078500000000 ] - [ 0.0129071800000000, 0.0003051100000000, -0.0000332900000000 ] - [ -0.0000704500000000, -0.0001447600000000, 0.0001912700000000 ] - [ 0.0006803100000000, 0.0000431000000000, -0.0003942800000000 ] - [ 0.0078163600000000, -0.0041057300000000, -0.0014678100000000 ] - [ -0.0001639700000000, -0.0005161500000000, 0.0003682700000000 ] - [ -0.0066465400000000, 0.0017859900000000, 0.0001781400000000 ] - [ -0.0001451900000000, 0.0003886200000000, 0.0000615300000000 ] - [ -0.0001643800000000, -0.0000737000000000, -0.0005011600000000 ] - [ 0.0001485900000000, -0.0001055300000000, 0.0001924600000000 ] - [ 0.0002043500000000, 0.0002775600000000, -0.0001036700000000 ] - [ 0.0000505400000000, 0.0004267000000000, 0.0000671800000000 ] - [ 0.0003440600000000, -0.0004423900000000, -0.0000026500000000 ] - [ -0.0002183600000000, -0.0026971700000000, -0.0043598900000000 ] - [ -0.0002098600000000, 0.0001524200000000, -0.0000823600000000 ] - [ 0.0006730400000000, -0.0078769300000000, 0.0035124100000000 ] - [ -0.0000498900000000, 0.0000836400000000, -0.0000830800000000 ] - [ -0.0000296900000000, -0.0002899100000000, 0.0002602900000000 ] - [ 0.0000895200000000, -0.0001260500000000, -0.0007035000000000 ] - [ -0.0003056600000000, -0.0001423000000000, 0.0003041900000000 ] - [ 0.0632271700000000, 0.0319361600000000, -0.0011989100000000 ] - [ 0.0000358300000000, -0.0000603300000000, 0.0000371600000000 ] - [ -0.0023705500000000, -0.0022356500000000, 0.0026648900000000 ] - [ 0.0006300700000000, -0.0003745400000000, 0.0005428800000000 ] - [ -0.0000731800000000, -0.0000158500000000, 0.0000186600000000 ] - [ -0.0001469200000000, 0.0003564000000000, -0.0002141900000000 ] - [ 0.0004288900000000, 0.0000212600000000, 0.0001216000000000 ] - [ -0.0002971400000000, -0.0030548800000000, 0.0034556200000000 ] - [ -0.0003090500000000, -0.0001452500000000, 0.0004414300000000 ] - [ 0.0002062600000000, 0.0001505100000000, 0.0000285800000000 ] - [ -0.0001511800000000, -0.0004542400000000, 0.0003204900000000 ] - [ 0.0001170500000000, -0.0001327900000000, 0.0002308100000000 ] - [ -0.0029113900000000, 0.0008596000000000, -0.0038510500000000 ] - [ -0.0003011500000000, -0.0003774600000000, 0.0000195200000000 ] - [ -0.0030990300000000, 0.0014375700000000, -0.0002135400000000 ] - [ -0.0000254600000000, -0.0004897100000000, -0.0001059200000000 ] - [ -0.0000806300000000, -0.0015029100000000, 0.0000948000000000 ] - [ -0.0001619700000000, 0.0003481300000000, -0.0001268300000000 ] - [ 0.0002730800000000, 0.0004661100000000, 0.0000161400000000 ] - [ -0.0000687500000000, 0.0000387600000000, 0.0005141900000000 ] - [ 0.0005918200000000, 0.0012460800000000, -0.0009221600000000 ] - [ -0.0001883900000000, 0.0004780300000000, -0.0001237900000000 ] - [ -0.0000104100000000, -0.0000751600000000, 0.0003366000000000 ] - [ 0.0027302100000000, -0.0004888400000000, 0.0069899700000000 ] - [ -0.0001713600000000, 0.0001857700000000, -0.0001154400000000 ] - [ -0.0011402500000000, 0.0018015400000000, 0.0026674300000000 ] - [ -0.0005486500000000, -0.0000567000000000, 0.0003161600000000 ] - [ 0.0001440900000000, -0.0003256500000000, 0.0000124300000000 ] - [ 0.0001164200000000, 0.0001268600000000, 0.0001128400000000 ] - [ -0.0001107200000000, 0.0006700700000000, 0.0001843500000000 ] - [ 0.0024321600000000, 0.0002574200000000, -0.0024594700000000 ] - [ -0.0005214300000000, 0.0008876600000000, -0.0003546300000000 ] - [ -0.0000720900000000, -0.0005379000000000, 0.0001190300000000 ] - [ 0.0001253500000000, -0.0004615100000000, -0.0001843100000000 ] - [ 0.0000944800000000, 0.0002572400000000, 0.0002580900000000 ] - [ -0.0001794400000000, -0.0006183400000000, -0.0000730400000000 ] - [ -0.0001573900000000, 0.0001191700000000, 0.0000720000000000 ] - [ -0.0002332600000000, 0.0005047000000000, -0.0000330900000000 ] - [ -0.0006519600000000, 0.0001408500000000, 0.0004286000000000 ] - [ -0.0002996200000000, 0.0000925400000000, -0.0002889100000000 ] - [ -0.0002344500000000, 0.0005594400000000, -0.0023707500000000 ] - [ 0.0000405200000000, -0.0007130200000000, 0.0001522900000000 ] - [ -0.0108053200000000, -0.0285388500000000, -0.0020807700000000 ] - [ -0.0004570300000000, 0.0001596800000000, 0.0002310200000000 ] - [ -0.0001803800000000, 0.0001093700000000, -0.0001219000000000 ] - [ 0.0002445200000000, 0.0003001900000000, -0.0003582800000000 ] - [ 0.0001902100000000, -0.0000166500000000, -0.0000537300000000 ] - [ -0.0001650800000000, 0.0004404200000000, 0.0003445200000000 ] - [ -0.0000910800000000, -0.0001232500000000, 0.0002760200000000 ] - [ -0.0002489100000000, 0.0005503200000000, 0.0002367900000000 ] - [ 0.0012350800000000, 0.0002780200000000, -0.0070428300000000 ] - [ 0.0072374800000000, 0.0012797200000000, -0.0016508700000000 ] - [ -0.0003277700000000, -0.0001332600000000, 0.0006681300000000 ] - [ 0.0005826600000000, 0.0004084800000000, 0.0000098100000000 ] - [ 0.0002867600000000, 0.0000755000000000, 0.0000803700000000 ] - [ -0.0999892800000000, -0.0484553000000000, 0.0079099800000000 ] - [ -0.0004419100000000, -0.0001301100000000, -0.0001354300000000 ] - [ 0.0001455800000000, -0.0000121200000000, 0.0000874000000000 ] - [ -0.0002301600000000, 0.0002816500000000, 0.0001060600000000 ] - [ 0.0024733400000000, -0.0071763700000000, 0.0008424800000000 ] - [ -0.0001278700000000, 0.0002202800000000, -0.0000013900000000 ] - [ 0.0001290000000000, 0.0002746800000000, 0.0000753300000000 ] - [ 0.0025424400000000, 0.0020907800000000, -0.0016777000000000 ] - [ 0.0002589500000000, -0.0000563800000000, -0.0001537300000000 ] - [ -0.0000756500000000, 0.0001379000000000, -0.0005467200000000 ] - [ 0.0006917300000000, 0.0006069400000000, 0.0021586000000000 ] - [ 0.0004950200000000, 0.0001440700000000, 0.0000441800000000 ] - [ 0.0004885000000000, 0.0001962700000000, -0.0004175300000000 ] - [ -0.0003696200000000, -0.0000111700000000, -0.0000686200000000 ] - [ 0.0035746500000000, -0.0037977800000000, -0.0077647200000000 ] - [ 0.0128892700000000, 0.0465780200000000, -0.0013460000000000 ] - [ 0.0000321800000000, 0.0004930500000000, -0.0002146300000000 ] - [ -0.0005753100000000, -0.0000069100000000, 0.0003388500000000 ] - [ 0.0000754300000000, 0.0005314700000000, -0.0004515600000000 ] - [ -0.0022498200000000, 0.0026746300000000, -0.0005874300000000 ] - [ 0.0008519600000000, -0.0000898200000000, 0.0000165000000000 ] - [ 0.0010481600000000, -0.0015537200000000, -0.0002377200000000 ] - [ -0.0003376700000000, -0.0005286400000000, -0.0000215700000000 ] - [ 0.0001348200000000, -0.0003052600000000, 0.0001782900000000 ] - [ -0.0000255000000000, -0.0001443100000000, -0.0002061900000000 ] - [ -0.0001516200000000, 0.0002378700000000, -0.0002502600000000 ] - [ -0.0006989400000000, 0.0004473600000000, -0.0000435800000000 ] - [ 0.0007648500000000, 0.0027495500000000, 0.0004937600000000 ] - [ 0.0002627300000000, 0.0001884700000000, -0.0001912000000000 ] - [ 0.0001010100000000, -0.0000993700000000, 0.0001351200000000 ] - [ 0.0021325400000000, -0.0016782900000000, 0.0006336300000000 ] - [ 0.0055666600000000, 0.0008405100000000, 0.0008609600000000 ] - [ -0.0009051400000000, 0.0004477000000000, -0.0000142400000000 ] - [ -0.0000886000000000, 0.0000939300000000, -0.0000458500000000 ] - [ 0.0001051900000000, 0.0002040400000000, -0.0002674900000000 ] - [ 0.0005631000000000, -0.0002493700000000, -0.0003723100000000 ] - [ 0.0000773600000000, 0.0002481900000000, -0.0003968400000000 ] - [ 0.0000610300000000, -0.0000813400000000, 0.0002245100000000 ] - [ -0.0001340600000000, 0.0001824900000000, 0.0001399200000000 ] - [ 0.0064427800000000, -0.0050156400000000, -0.0009063700000000 ] - [ 0.0005798700000000, 0.0001409700000000, 0.0000328100000000 ] - [ -0.0002053600000000, -0.0001796200000000, -0.0007738100000000 ] - [ 0.0007576600000000, 0.0004501200000000, -0.0001121700000000 ] - [ 0.0006070800000000, 0.0011423300000000, -0.0040285100000000 ] - [ 0.0069001100000000, 0.0153482000000000, 0.0019291200000000 ] - [ -0.0000998000000000, 0.0001525400000000, -0.0002304000000000 ] - [ 0.0005726600000000, 0.0002891300000000, 0.0022229100000000 ] - [ 0.0025448700000000, -0.0011143500000000, 0.0001883000000000 ] - [ 0.0021320300000000, -0.0000676500000000, 0.0057764900000000 ] - [ 0.0003070100000000, 0.0000990600000000, 0.0003526300000000 ] - [ 0.0003615000000000, 0.0000340300000000, 0.0001442700000000 ] - [ 0.0002945500000000, -0.0001048400000000, 0.0000704300000000 ] - [ 0.0002824600000000, 0.0002898900000000, -0.0000844600000000 ] - [ -0.0004524300000000, 0.0003374900000000, 0.0000768700000000 ] - [ 0.0001314900000000, -0.0000043800000000, -0.0002210600000000 ] - [ -0.0000441900000000, 0.0001520700000000, -0.0001687000000000 ] - [ 0.0002595300000000, 0.0001227100000000, -0.0002226000000000 ] - [ -0.0009404500000000, -0.0007555900000000, 0.0000139900000000 ] - [ 0.0006748100000000, 0.0003597000000000, -0.0003993200000000 ]- atom: 118 displacement: [ -0.0099999639143206, 0.0000000000000000, 0.0000268647033593 ] forces: - [ 0.0005106900000000, -0.0001509000000000, -0.0000608200000000 ] - [ -0.0000022600000000, 0.0006424700000000, 0.0001200900000000 ] - [ 0.0004010800000000, 0.0000040200000000, -0.0000771700000000 ] - [ 0.0008596800000000, 0.0006178600000000, -0.0012192200000000 ] - [ -0.0000129500000000, -0.0003821300000000, -0.0000294400000000 ] - [ -0.0001213700000000, -0.0000258600000000, -0.0001058800000000 ] - [ -0.0001352500000000, 0.0004143800000000, -0.0002772100000000 ] - [ 0.0004766700000000, 0.0002257100000000, 0.0001520300000000 ] - [ 0.0005162700000000, 0.0005054100000000, 0.0007347100000000 ] - [ -0.0000581700000000, 0.0001006100000000, 0.0000625800000000 ] - [ -0.0009083700000000, 0.0003193100000000, 0.0003206600000000 ] - [ -0.0009364900000000, -0.0002842400000000, -0.0002021700000000 ] - [ 0.0021768800000000, -0.0001047500000000, 0.0005353200000000 ] - [ 0.0010686600000000, 0.0000030600000000, 0.0000005000000000 ] - [ -0.0000519500000000, -0.0001183300000000, -0.0000285500000000 ] - [ -0.0028490400000000, -0.0003581200000000, 0.0005047100000000 ] - [ -0.0000511000000000, -0.0001638300000000, -0.0000207500000000 ] - [ -0.0005310900000000, -0.0000839600000000, -0.0000764900000000 ] - [ -0.0004551000000000, -0.0003762900000000, -0.0005759000000000 ] - [ 0.0000799400000000, -0.0008331100000000, -0.0006636500000000 ] - [ 0.0003753200000000, -0.0001990400000000, 0.0001620600000000 ] - [ -0.0000072900000000, 0.0003891500000000, -0.0001391400000000 ] - [ -0.0002826000000000, 0.0001420500000000, -0.0000406000000000 ] - [ 0.0003524700000000, -0.0010337200000000, 0.0007194400000000 ] - [ 0.0003005500000000, -0.0005309900000000, 0.0022430200000000 ] - [ 0.0002245200000000, -0.0004767900000000, -0.0024397800000000 ] - [ -0.0003644700000000, -0.0004970500000000, 0.0003558700000000 ] - [ -0.0002754200000000, -0.0000093400000000, -0.0005276700000000 ] - [ 0.0020026300000000, 0.0002648400000000, -0.0000718800000000 ] - [ 0.0001336800000000, 0.0001722400000000, -0.0004360400000000 ] - [ 0.0000254500000000, 0.0002207200000000, 0.0005160200000000 ] - [ -0.0000073100000000, 0.0002915300000000, 0.0000673000000000 ] - [ 0.0034620100000000, 0.0014945800000000, -0.0010034300000000 ] - [ -0.0025240800000000, -0.0003899700000000, -0.0006927600000000 ] - [ -0.0040153000000000, 0.0005419300000000, -0.0021054500000000 ] - [ 0.0170947000000000, -0.0029841800000000, 0.0012069100000000 ] - [ 0.0005307200000000, 0.0000475900000000, 0.0000016600000000 ] - [ 0.0001100900000000, 0.0002143100000000, -0.0012815000000000 ] - [ -0.0000170000000000, -0.0000694200000000, -0.0001028300000000 ] - [ 0.0003344700000000, 0.0009505800000000, 0.0011531200000000 ] - [ -0.0001971700000000, 0.0001880100000000, -0.0003642800000000 ] - [ 0.0034467700000000, -0.0003909500000000, 0.0007059700000000 ] - [ 0.0000233400000000, -0.0000211200000000, 0.0000676500000000 ] - [ -0.0132493900000000, -0.0000510300000000, 0.0001411500000000 ] - [ -0.0003000300000000, -0.0000440000000000, -0.0000901800000000 ] - [ -0.0002906400000000, 0.0009676900000000, -0.0002696000000000 ] - [ -0.0077886900000000, 0.0044924500000000, 0.0017319400000000 ] - [ -0.0000207100000000, 0.0001894800000000, 0.0004872200000000 ] - [ 0.0062870200000000, -0.0022402100000000, -0.0002238800000000 ] - [ 0.0002093200000000, -0.0000085500000000, 0.0001013600000000 ] - [ 0.0006043900000000, 0.0001550900000000, -0.0002015700000000 ] - [ 0.0001444900000000, -0.0000388600000000, 0.0003492600000000 ] - [ 0.0002089700000000, 0.0003947100000000, -0.0001249000000000 ] - [ -0.0004646300000000, 0.0002464900000000, 0.0001631900000000 ] - [ -0.0000134000000000, -0.0000422300000000, 0.0000503000000000 ] - [ 0.0005272900000000, 0.0019010600000000, 0.0038812700000000 ] - [ 0.0002377100000000, 0.0004461600000000, -0.0001322300000000 ] - [ -0.0002532400000000, 0.0071767400000000, -0.0037259200000000 ] - [ -0.0000147800000000, 0.0002940800000000, -0.0000796900000000 ] - [ 0.0000015800000000, -0.0003099100000000, -0.0000454300000000 ] - [ -0.0003817400000000, 0.0002667700000000, 0.0001414200000000 ] - [ 0.0005967900000000, 0.0002845500000000, 0.0002364400000000 ] - [ -0.0627095200000000, -0.0308621600000000, 0.0013462000000000 ] - [ -0.0004301200000000, -0.0006202100000000, 0.0001858100000000 ] - [ 0.0020487700000000, 0.0020807100000000, -0.0032155200000000 ] - [ -0.0003693800000000, 0.0001105900000000, -0.0006666400000000 ] - [ -0.0001806100000000, 0.0002732000000000, 0.0001208700000000 ] - [ 0.0004412900000000, 0.0004163800000000, -0.0002438600000000 ] - [ -0.0007209600000000, 0.0007479300000000, 0.0003370900000000 ] - [ 0.0005553700000000, 0.0033115700000000, -0.0035827500000000 ] - [ -0.0001306700000000, 0.0000645700000000, 0.0002596000000000 ] - [ 0.0001250700000000, 0.0003255000000000, 0.0000198700000000 ] - [ -0.0001400200000000, -0.0003168100000000, 0.0001389600000000 ] - [ -0.0005528900000000, 0.0002097600000000, 0.0004678100000000 ] - [ 0.0033446800000000, -0.0009351200000000, 0.0031563700000000 ] - [ 0.0000439300000000, 0.0001122100000000, 0.0001231300000000 ] - [ 0.0030085700000000, -0.0018271700000000, 0.0000503500000000 ] - [ 0.0000540300000000, -0.0001162000000000, -0.0001086300000000 ] - [ 0.0001380600000000, 0.0011158800000000, 0.0000673800000000 ] - [ -0.0001684700000000, 0.0001347100000000, 0.0000788600000000 ] - [ 0.0002504400000000, 0.0003221300000000, 0.0000445200000000 ] - [ -0.0000637900000000, -0.0000547100000000, 0.0003414700000000 ] - [ -0.0011649200000000, -0.0014419700000000, 0.0013746600000000 ] - [ -0.0001074400000000, 0.0002774200000000, -0.0001195100000000 ] - [ 0.0000889900000000, -0.0000031500000000, 0.0003247700000000 ] - [ -0.0022520400000000, 0.0005521700000000, -0.0068319200000000 ] - [ 0.0006273400000000, -0.0002712100000000, -0.0001285900000000 ] - [ 0.0005736800000000, -0.0017215300000000, -0.0028792400000000 ] - [ 0.0001647600000000, -0.0000207000000000, 0.0000634700000000 ] - [ 0.0003795900000000, -0.0004562800000000, 0.0000486800000000 ] - [ 0.0001316300000000, 0.0000116000000000, 0.0001801100000000 ] - [ -0.0001396500000000, 0.0004031200000000, 0.0001649900000000 ] - [ -0.0029038600000000, 0.0002408100000000, 0.0033395500000000 ] - [ 0.0011006500000000, -0.0009028900000000, 0.0009282200000000 ] - [ -0.0000787200000000, -0.0006529800000000, 0.0002147900000000 ] - [ 0.0000997300000000, -0.0006419200000000, -0.0001828800000000 ] - [ 0.0001982000000000, 0.0004922900000000, -0.0000162200000000 ] - [ 0.0003306100000000, -0.0005712400000000, -0.0002620800000000 ] - [ -0.0002246800000000, -0.0000389100000000, 0.0003060300000000 ] - [ -0.0001724500000000, 0.0003731100000000, -0.0000180900000000 ] - [ 0.0007866300000000, -0.0001131600000000, -0.0012581000000000 ] - [ -0.0002777400000000, -0.0000617300000000, -0.0003020400000000 ] - [ 0.0008082300000000, -0.0005308100000000, 0.0029498600000000 ] - [ -0.0002654200000000, -0.0003941500000000, 0.0002149200000000 ] - [ 0.0108504300000000, 0.0276678300000000, 0.0017612100000000 ] - [ 0.0001870200000000, -0.0000429900000000, -0.0000199900000000 ] - [ -0.0002856800000000, -0.0000357300000000, -0.0000687900000000 ] - [ 0.0002379500000000, 0.0002052600000000, -0.0004810400000000 ] - [ 0.0000752400000000, -0.0000954300000000, -0.0001499600000000 ] - [ -0.0001642800000000, 0.0001123600000000, 0.0002471900000000 ] - [ -0.0002371700000000, -0.0004239200000000, 0.0003120500000000 ] - [ 0.0007917900000000, -0.0006350600000000, -0.0000375600000000 ] - [ -0.0009308900000000, 0.0002548200000000, 0.0064085500000000 ] - [ -0.0070860300000000, -0.0011717200000000, 0.0022896500000000 ] - [ -0.0001507000000000, -0.0003723200000000, 0.0001805600000000 ] - [ -0.0003180000000000, -0.0002939100000000, -0.0002118200000000 ] - [ 0.0002574800000000, 0.0000078300000000, 0.0001256500000000 ] - [ 0.0987723100000000, 0.0485482800000000, -0.0073985900000000 ] - [ 0.0001455800000000, -0.0006169400000000, -0.0001071300000000 ] - [ 0.0001713000000000, -0.0000904000000000, 0.0002457700000000 ] - [ -0.0002935700000000, 0.0005004100000000, -0.0001657100000000 ] - [ -0.0027225100000000, 0.0069608700000000, -0.0005035700000000 ] - [ -0.0001892100000000, -0.0003184800000000, -0.0003327900000000 ] - [ 0.0000715300000000, 0.0000551900000000, 0.0000454400000000 ] - [ -0.0029394600000000, -0.0029554100000000, 0.0016210700000000 ] - [ -0.0005081100000000, -0.0000848900000000, -0.0001434400000000 ] - [ -0.0000049100000000, -0.0002099100000000, -0.0001170700000000 ] - [ -0.0009431400000000, -0.0004632300000000, -0.0024449800000000 ] - [ 0.0004583900000000, 0.0000114200000000, 0.0000820700000000 ] - [ 0.0004488100000000, 0.0003699300000000, 0.0002889100000000 ] - [ -0.0000983000000000, -0.0000598200000000, -0.0001235500000000 ] - [ -0.0038191600000000, 0.0037071100000000, 0.0080171500000000 ] - [ -0.0130716900000000, -0.0473795800000000, 0.0012574700000000 ] - [ 0.0001134900000000, 0.0007039800000000, -0.0001171000000000 ] - [ -0.0003774600000000, 0.0001599500000000, -0.0004666500000000 ] - [ 0.0001763900000000, 0.0005358600000000, 0.0000998300000000 ] - [ 0.0031887800000000, -0.0028166600000000, 0.0007139000000000 ] - [ -0.0004680400000000, 0.0000077200000000, -0.0003902700000000 ] - [ -0.0008148700000000, 0.0026625800000000, -0.0001290500000000 ] - [ -0.0006261900000000, 0.0003715300000000, -0.0001029900000000 ] - [ -0.0003854200000000, -0.0007600300000000, 0.0001715200000000 ] - [ -0.0005221500000000, 0.0000632800000000, 0.0000007600000000 ] - [ 0.0000713000000000, -0.0001555600000000, -0.0004105700000000 ] - [ 0.0001260400000000, -0.0002446000000000, 0.0004993700000000 ] - [ -0.0009685000000000, -0.0016387500000000, -0.0001261400000000 ] - [ 0.0001992300000000, -0.0000985500000000, -0.0000557200000000 ] - [ -0.0003356900000000, -0.0000551100000000, 0.0002990000000000 ] - [ -0.0030592000000000, 0.0011333100000000, -0.0005058100000000 ] - [ -0.0060764700000000, -0.0016690300000000, -0.0009248300000000 ] - [ 0.0011547600000000, -0.0005868800000000, 0.0003074000000000 ] - [ 0.0003230300000000, -0.0002441300000000, -0.0003906100000000 ] - [ 0.0001283000000000, -0.0000510400000000, -0.0001676600000000 ] - [ -0.0000795200000000, -0.0002528600000000, -0.0004662300000000 ] - [ 0.0003288400000000, 0.0006275500000000, 0.0004452300000000 ] - [ -0.0005226100000000, -0.0000043800000000, 0.0000200400000000 ] - [ -0.0001568700000000, 0.0000403600000000, 0.0001941800000000 ] - [ -0.0061044800000000, 0.0041799300000000, 0.0011405400000000 ] - [ -0.0001097600000000, -0.0002137700000000, 0.0001602300000000 ] - [ 0.0005337600000000, -0.0003701400000000, 0.0001735600000000 ] - [ -0.0004601900000000, -0.0006693300000000, -0.0002207200000000 ] - [ -0.0004680000000000, -0.0011601500000000, 0.0031793400000000 ] - [ -0.0069838200000000, -0.0140067800000000, -0.0015643000000000 ] - [ -0.0001003000000000, 0.0001709200000000, 0.0001103500000000 ] - [ -0.0001878600000000, -0.0002156600000000, -0.0026121400000000 ] - [ -0.0029946500000000, 0.0011988800000000, 0.0000487600000000 ] - [ -0.0023624700000000, 0.0002086500000000, -0.0052765900000000 ] - [ -0.0004392000000000, -0.0000788800000000, 0.0005041800000000 ] - [ -0.0000709900000000, 0.0001881200000000, -0.0004781400000000 ] - [ -0.0000924300000000, -0.0002179400000000, 0.0000501900000000 ] - [ 0.0006593500000000, -0.0008482300000000, -0.0000430200000000 ] - [ -0.0004844100000000, 0.0002293100000000, 0.0000507300000000 ] - [ 0.0004326700000000, -0.0001890900000000, -0.0002419200000000 ] - [ -0.0002725400000000, -0.0000490900000000, -0.0001648900000000 ] - [ -0.0008350600000000, -0.0001457900000000, -0.0003708300000000 ] - [ 0.0013353600000000, -0.0001008100000000, 0.0000373500000000 ] - [ -0.0001071600000000, -0.0001577100000000, -0.0000663900000000 ]- atom: 118 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001162200000000, 0.0006563100000000, -0.0000689100000000 ] - [ -0.0006283800000000, -0.0010589400000000, -0.0000583200000000 ] - [ 0.0003327400000000, -0.0006778200000000, 0.0000912600000000 ] - [ -0.0015339300000000, -0.0001638400000000, 0.0023502100000000 ] - [ 0.0000919600000000, -0.0010154000000000, 0.0000696100000000 ] - [ -0.0000553900000000, -0.0010381500000000, -0.0000953600000000 ] - [ -0.0003586200000000, -0.0008064700000000, 0.0003119600000000 ] - [ 0.0003036600000000, -0.0001900400000000, -0.0001222400000000 ] - [ -0.0008054900000000, 0.0004176700000000, -0.0014098200000000 ] - [ -0.0000607200000000, -0.0006898900000000, 0.0001069100000000 ] - [ 0.0000133200000000, 0.0016046200000000, -0.0007237900000000 ] - [ 0.0001798200000000, 0.0015454100000000, 0.0002146300000000 ] - [ -0.0001285800000000, 0.0007197100000000, -0.0001208300000000 ] - [ -0.0000435100000000, 0.0009990200000000, 0.0002199600000000 ] - [ 0.0003810800000000, -0.0010477600000000, -0.0001285600000000 ] - [ -0.0011023700000000, 0.0021097100000000, 0.0002854000000000 ] - [ -0.0000284000000000, -0.0008547600000000, -0.0001232700000000 ] - [ -0.0004110900000000, -0.0012611100000000, -0.0004149700000000 ] - [ 0.0000044600000000, 0.0002029000000000, -0.0008314400000000 ] - [ 0.0017003900000000, -0.0004271200000000, -0.0020428400000000 ] - [ 0.0004279200000000, 0.0002305200000000, 0.0000000600000000 ] - [ -0.0000182000000000, -0.0003411700000000, -0.0001683000000000 ] - [ -0.0004775800000000, -0.0004683500000000, 0.0004618500000000 ] - [ 0.0023040400000000, -0.0006418400000000, 0.0020838500000000 ] - [ 0.0001906800000000, 0.0019441100000000, -0.0002023300000000 ] - [ 0.0000913000000000, 0.0017254600000000, -0.0005352500000000 ] - [ 0.0001690800000000, -0.0017376200000000, 0.0012737500000000 ] - [ -0.0001538500000000, -0.0018919000000000, -0.0004984100000000 ] - [ 0.0001099400000000, -0.0019728400000000, 0.0002504300000000 ] - [ 0.0001950500000000, 0.0004858700000000, -0.0010496800000000 ] - [ -0.0002032800000000, -0.0003655100000000, 0.0002910200000000 ] - [ 0.0000689900000000, -0.0007919500000000, -0.0013692000000000 ] - [ -0.0008567800000000, 0.0031761700000000, 0.0014927600000000 ] - [ 0.0001554600000000, -0.0049925100000000, 0.0012862000000000 ] - [ 0.0000011500000000, 0.0243359600000000, 0.0018122000000000 ] - [ 0.0032011300000000, 0.0206089300000000, -0.0000891100000000 ] - [ 0.0003954300000000, -0.0019593000000000, -0.0008278100000000 ] - [ -0.0003711200000000, 0.0004154300000000, 0.0003103600000000 ] - [ -0.0001557900000000, -0.0019913600000000, -0.0001379400000000 ] - [ -0.0016184000000000, 0.0009103000000000, -0.0031254400000000 ] - [ 0.0000825800000000, 0.0008343800000000, 0.0006348600000000 ] - [ -0.0011604300000000, 0.0005037700000000, 0.0001305300000000 ] - [ -0.0000843600000000, -0.0031277200000000, 0.0003503100000000 ] - [ -0.0000732800000000, 0.0092547000000000, -0.0001643200000000 ] - [ 0.0002466800000000, -0.0013862900000000, -0.0006987500000000 ] - [ 0.0002812400000000, -0.0037273900000000, 0.0007033900000000 ] - [ -0.0045076200000000, -0.0153652500000000, -0.0028077600000000 ] - [ -0.0002150400000000, -0.0034481000000000, 0.0003970200000000 ] - [ -0.0003881200000000, 0.0026253900000000, -0.0001228200000000 ] - [ -0.0000761900000000, 0.0012535100000000, 0.0001141500000000 ] - [ 0.0002135500000000, -0.0002324300000000, 0.0006452000000000 ] - [ 0.0006472000000000, -0.0006077900000000, -0.0001902400000000 ] - [ 0.0001600300000000, -0.0004384600000000, -0.0002213700000000 ] - [ -0.0000542200000000, 0.0013844100000000, -0.0004046600000000 ] - [ -0.0000693600000000, -0.0027761200000000, -0.0001226800000000 ] - [ -0.0040044400000000, 0.0041502600000000, 0.0013771100000000 ] - [ -0.0000309200000000, -0.0015103900000000, -0.0000922700000000 ] - [ -0.0024598100000000, -0.0051372700000000, 0.0028256000000000 ] - [ -0.0000951300000000, -0.0008588300000000, -0.0001143900000000 ] - [ 0.0000920700000000, 0.0006354700000000, 0.0000936600000000 ] - [ 0.0001470000000000, -0.0008038800000000, -0.0044663300000000 ] - [ -0.0002544900000000, -0.0001880800000000, -0.0000777000000000 ] - [ 0.0307100500000000, 0.2427795400000000, -0.0014890800000000 ] - [ 0.0023482200000000, -0.0028506400000000, -0.0013263400000000 ] - [ 0.0045449900000000, 0.0040038500000000, -0.0010703000000000 ] - [ 0.0012335000000000, -0.0005548700000000, 0.0036791300000000 ] - [ 0.0005851600000000, -0.0014108500000000, -0.0000867000000000 ] - [ 0.0001312700000000, 0.0007287500000000, -0.0010481500000000 ] - [ 0.0011931000000000, -0.0024413300000000, -0.0027939500000000 ] - [ 0.0006930600000000, 0.0032147300000000, -0.0009166100000000 ] - [ -0.0011331800000000, -0.0009660500000000, 0.0008357300000000 ] - [ 0.0002437700000000, -0.0006161600000000, 0.0000539200000000 ] - [ -0.0006622900000000, -0.0012833100000000, 0.0006060700000000 ] - [ 0.0002440600000000, -0.0002317100000000, 0.0015657900000000 ] - [ -0.0003267100000000, 0.0003688200000000, -0.0001355500000000 ] - [ -0.0000722700000000, -0.0003036200000000, 0.0007156200000000 ] - [ 0.0065179500000000, -0.0016400700000000, 0.0001786400000000 ] - [ -0.0001386800000000, -0.0014905000000000, -0.0001802900000000 ] - [ -0.0010264900000000, -0.0033761500000000, 0.0000228400000000 ] - [ -0.0001995200000000, 0.0011172600000000, 0.0000645400000000 ] - [ 0.0002705800000000, 0.0012118300000000, -0.0000073600000000 ] - [ -0.0001660100000000, 0.0005736900000000, 0.0007980000000000 ] - [ -0.0002863800000000, -0.0021983200000000, -0.0003777400000000 ] - [ -0.0003591900000000, 0.0014236800000000, -0.0000007100000000 ] - [ -0.0001257200000000, -0.0006145300000000, 0.0000987100000000 ] - [ -0.0005920400000000, -0.0029790100000000, 0.0002864500000000 ] - [ 0.0009084100000000, 0.0004655500000000, -0.0012773300000000 ] - [ 0.0040851500000000, -0.0037151800000000, 0.0041346600000000 ] - [ -0.0001982800000000, 0.0008285600000000, -0.0011610600000000 ] - [ 0.0000965400000000, 0.0016288300000000, -0.0000306200000000 ] - [ 0.0002421900000000, 0.0008589600000000, 0.0002180700000000 ] - [ 0.0000409000000000, 0.0016726100000000, 0.0003523600000000 ] - [ -0.0015796000000000, -0.0027712000000000, -0.0008589900000000 ] - [ 0.0002311600000000, 0.0030426600000000, -0.0039686000000000 ] - [ -0.0001092500000000, -0.0000565000000000, 0.0003276800000000 ] - [ 0.0001167900000000, 0.0003217300000000, -0.0001837300000000 ] - [ -0.0000298600000000, -0.0007394500000000, 0.0000589800000000 ] - [ -0.0000829400000000, -0.0010873100000000, 0.0007915000000000 ] - [ -0.0000039400000000, 0.0008752300000000, -0.0002483200000000 ] - [ -0.0003506800000000, 0.0011411600000000, -0.0001806300000000 ] - [ 0.0000405000000000, 0.0018970800000000, 0.0051793000000000 ] - [ -0.0004998000000000, 0.0009054700000000, -0.0005107100000000 ] - [ 0.0001736800000000, -0.0012757700000000, 0.0007287500000000 ] - [ -0.0001076400000000, -0.0014982500000000, 0.0003229200000000 ] - [ -0.0214525100000000, 0.0560918700000000, 0.0038365200000000 ] - [ -0.0011319000000000, 0.0010266500000000, 0.0016783100000000 ] - [ -0.0000674000000000, 0.0009287600000000, -0.0001697100000000 ] - [ 0.0001639100000000, 0.0011170000000000, -0.0003218600000000 ] - [ -0.0003946800000000, 0.0008490000000000, 0.0002504200000000 ] - [ -0.0003067900000000, 0.0016099900000000, 0.0006107500000000 ] - [ -0.0001651100000000, 0.0002216600000000, 0.0001882100000000 ] - [ 0.0030255000000000, 0.0038870400000000, 0.0050446100000000 ] - [ -0.0003393300000000, -0.0037562300000000, 0.0017836000000000 ] - [ -0.0008184000000000, -0.0036680100000000, 0.0008689000000000 ] - [ 0.0002414200000000, -0.0004762500000000, 0.0023792600000000 ] - [ 0.0007677300000000, 0.0002090800000000, 0.0003109400000000 ] - [ 0.0006601800000000, 0.0009830900000000, 0.0003233700000000 ] - [ -0.0465071200000000, -0.3819855700000000, -0.0115928500000000 ] - [ 0.0001650500000000, 0.0021440300000000, -0.0001367900000000 ] - [ 0.0001423300000000, -0.0006240300000000, 0.0001654000000000 ] - [ -0.0000920400000000, -0.0005153800000000, 0.0000127200000000 ] - [ -0.0125034900000000, 0.0073635300000000, -0.0020839600000000 ] - [ 0.0000896300000000, 0.0008775400000000, 0.0003051300000000 ] - [ 0.0001526900000000, 0.0011448700000000, 0.0000858200000000 ] - [ 0.0033207300000000, 0.0014856300000000, -0.0022299400000000 ] - [ 0.0001898800000000, 0.0001622200000000, 0.0006478500000000 ] - [ -0.0001926900000000, 0.0005032400000000, -0.0002622900000000 ] - [ 0.0013080500000000, -0.0015930800000000, 0.0001870200000000 ] - [ 0.0006994200000000, 0.0008100400000000, 0.0001634200000000 ] - [ 0.0003875100000000, -0.0002908700000000, -0.0000760400000000 ] - [ -0.0006033900000000, 0.0002249800000000, -0.0008584100000000 ] - [ -0.0086583200000000, -0.0042955600000000, 0.0054699200000000 ] - [ 0.0369634600000000, 0.0324955600000000, -0.0020860300000000 ] - [ -0.0006344900000000, 0.0031783900000000, 0.0004273400000000 ] - [ -0.0001991800000000, -0.0008703700000000, 0.0004420700000000 ] - [ 0.0002407200000000, -0.0005947700000000, -0.0001345900000000 ] - [ 0.0015657400000000, 0.0030614200000000, -0.0010530900000000 ] - [ 0.0004076000000000, 0.0000670700000000, -0.0010810000000000 ] - [ -0.0021668100000000, 0.0031143200000000, -0.0004068200000000 ] - [ -0.0015128000000000, 0.0008273500000000, 0.0003962100000000 ] - [ -0.0000801900000000, 0.0011912400000000, 0.0000287500000000 ] - [ -0.0004862600000000, 0.0005340700000000, 0.0004931000000000 ] - [ 0.0001018500000000, 0.0026627100000000, 0.0000782900000000 ] - [ -0.0013231400000000, 0.0012970200000000, -0.0011183600000000 ] - [ 0.0034638100000000, 0.0037687100000000, 0.0003463900000000 ] - [ 0.0012517200000000, 0.0014907800000000, -0.0007676600000000 ] - [ -0.0000673700000000, -0.0005396000000000, 0.0007699500000000 ] - [ -0.0031370200000000, -0.0018635100000000, -0.0003535800000000 ] - [ 0.0006757200000000, -0.0028191600000000, 0.0002238400000000 ] - [ -0.0015739600000000, 0.0050040000000000, 0.0010405600000000 ] - [ -0.0006173300000000, 0.0018562900000000, 0.0023670600000000 ] - [ 0.0002534700000000, 0.0011507800000000, -0.0005228800000000 ] - [ 0.0003457900000000, 0.0001786600000000, 0.0000317900000000 ] - [ -0.0001696100000000, -0.0003313900000000, 0.0001974400000000 ] - [ -0.0001976600000000, 0.0006687800000000, -0.0005527500000000 ] - [ 0.0000212300000000, 0.0008391700000000, 0.0003001100000000 ] - [ -0.0008153100000000, -0.0025454500000000, 0.0003006100000000 ] - [ 0.0003561600000000, -0.0000905100000000, -0.0006444800000000 ] - [ -0.0000116900000000, -0.0008898500000000, -0.0023502600000000 ] - [ 0.0014655400000000, 0.0019766900000000, 0.0000886300000000 ] - [ -0.0009504500000000, -0.0018980200000000, 0.0013618500000000 ] - [ 0.0139561900000000, 0.0057074100000000, 0.0006196600000000 ] - [ -0.0003137000000000, -0.0008354600000000, 0.0001463100000000 ] - [ 0.0003702100000000, -0.0007581100000000, -0.0003132500000000 ] - [ 0.0004625600000000, -0.0009886000000000, -0.0001816600000000 ] - [ -0.0001386500000000, -0.0041783700000000, -0.0024679300000000 ] - [ -0.0000078600000000, 0.0004247100000000, 0.0007596700000000 ] - [ 0.0005270400000000, -0.0004868500000000, 0.0001094900000000 ] - [ 0.0001982900000000, 0.0015691700000000, -0.0000353600000000 ] - [ 0.0010591100000000, 0.0025392100000000, -0.0002353800000000 ] - [ -0.0005932200000000, 0.0009731000000000, -0.0000216100000000 ] - [ -0.0005264800000000, 0.0013256900000000, -0.0006192400000000 ] - [ -0.0002814100000000, 0.0019240500000000, -0.0002812400000000 ] - [ -0.0002886900000000, 0.0000713200000000, -0.0010814400000000 ] - [ -0.0024114400000000, 0.0037130800000000, -0.0001319900000000 ] - [ 0.0003177500000000, -0.0000515300000000, -0.0003928500000000 ]- atom: 118 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000750400000000, -0.0008722900000000, 0.0002499800000000 ] - [ 0.0004964200000000, 0.0014970600000000, 0.0000033900000000 ] - [ 0.0002822300000000, 0.0006677000000000, -0.0002392300000000 ] - [ 0.0016301000000000, -0.0005046800000000, -0.0020750400000000 ] - [ -0.0001840500000000, 0.0003530600000000, -0.0003479000000000 ] - [ -0.0001345000000000, 0.0008241900000000, -0.0000912100000000 ] - [ 0.0001679200000000, 0.0010219800000000, -0.0004947000000000 ] - [ 0.0005632400000000, 0.0005246600000000, 0.0003399800000000 ] - [ 0.0008663900000000, -0.0005282200000000, 0.0013000400000000 ] - [ 0.0000022200000000, 0.0007946800000000, 0.0000067500000000 ] - [ 0.0000753200000000, -0.0009511200000000, 0.0009935900000000 ] - [ -0.0000541500000000, -0.0019905700000000, -0.0001473300000000 ] - [ 0.0009965400000000, -0.0010477600000000, 0.0003394900000000 ] - [ 0.0001041900000000, -0.0009000300000000, -0.0003314800000000 ] - [ -0.0004365800000000, 0.0009438500000000, 0.0002406400000000 ] - [ 0.0004781400000000, -0.0020152600000000, -0.0002678800000000 ] - [ -0.0000996600000000, 0.0004161400000000, 0.0000674900000000 ] - [ -0.0004558000000000, 0.0009277200000000, 0.0001995900000000 ] - [ -0.0008678800000000, 0.0001379100000000, 0.0006112100000000 ] - [ -0.0015814300000000, 0.0008588000000000, 0.0021087800000000 ] - [ 0.0001881600000000, -0.0002161500000000, -0.0001492100000000 ] - [ -0.0000743300000000, 0.0010059500000000, -0.0001118900000000 ] - [ -0.0001370800000000, 0.0004782300000000, -0.0003167900000000 ] - [ -0.0021260100000000, 0.0008500900000000, -0.0019077100000000 ] - [ 0.0003314100000000, -0.0022667200000000, 0.0011178400000000 ] - [ -0.0000216900000000, -0.0022020400000000, 0.0008169700000000 ] - [ -0.0005432800000000, 0.0007095900000000, -0.0006150600000000 ] - [ -0.0003697500000000, 0.0015738000000000, -0.0004225500000000 ] - [ -0.0001761200000000, 0.0024523000000000, -0.0005358500000000 ] - [ -0.0000097100000000, -0.0001805400000000, 0.0001779300000000 ] - [ 0.0000154000000000, 0.0006857900000000, 0.0005785000000000 ] - [ 0.0000495300000000, 0.0011708200000000, 0.0014450200000000 ] - [ 0.0004904100000000, -0.0021257300000000, -0.0008243900000000 ] - [ -0.0006765900000000, 0.0053016400000000, -0.0021851900000000 ] - [ 0.0000666000000000, -0.0247751700000000, -0.0019136600000000 ] - [ -0.0031376400000000, -0.0209244200000000, -0.0007537000000000 ] - [ 0.0000011200000000, 0.0021410100000000, 0.0007465000000000 ] - [ 0.0007420700000000, -0.0014227000000000, -0.0009825900000000 ] - [ 0.0000855500000000, 0.0015193400000000, -0.0001522500000000 ] - [ 0.0020059000000000, -0.0010646000000000, 0.0030288200000000 ] - [ -0.0002001500000000, -0.0004695400000000, -0.0007259000000000 ] - [ 0.0016949400000000, -0.0002064400000000, 0.0007943300000000 ] - [ 0.0001991300000000, 0.0027571200000000, -0.0002621700000000 ] - [ -0.0003232900000000, -0.0079994100000000, 0.0009902900000000 ] - [ -0.0006463500000000, 0.0012011400000000, 0.0007861500000000 ] - [ 0.0000918700000000, 0.0047625800000000, -0.0013724100000000 ] - [ 0.0046297500000000, 0.0159034000000000, 0.0031176600000000 ] - [ 0.0000311100000000, 0.0031378200000000, 0.0004765900000000 ] - [ 0.0000881800000000, -0.0031132200000000, 0.0000683400000000 ] - [ 0.0001439100000000, -0.0008521200000000, 0.0000542300000000 ] - [ 0.0002350200000000, 0.0002998000000000, -0.0013380300000000 ] - [ -0.0003532300000000, 0.0004755800000000, 0.0007367400000000 ] - [ 0.0002597300000000, 0.0010991200000000, -0.0000187300000000 ] - [ -0.0003637100000000, -0.0007123700000000, 0.0006398300000000 ] - [ 0.0003857800000000, 0.0022998400000000, 0.0001769900000000 ] - [ 0.0043066000000000, -0.0049066700000000, -0.0017963400000000 ] - [ 0.0000636100000000, 0.0021254600000000, -0.0001243300000000 ] - [ 0.0028533900000000, 0.0045016200000000, -0.0030674500000000 ] - [ 0.0000245400000000, 0.0012549300000000, -0.0000539400000000 ] - [ -0.0001228400000000, -0.0012575300000000, 0.0001217900000000 ] - [ -0.0004397200000000, 0.0009376400000000, 0.0039390200000000 ] - [ 0.0005479700000000, 0.0003217500000000, 0.0006210900000000 ] - [ -0.0345337800000000, -0.2615845700000000, 0.0020090500000000 ] - [ -0.0027839200000000, 0.0021944000000000, 0.0015702700000000 ] - [ -0.0048500600000000, -0.0041520500000000, 0.0005327700000000 ] - [ -0.0009827400000000, 0.0002925400000000, -0.0038374700000000 ] - [ -0.0008405800000000, 0.0016722100000000, 0.0002263100000000 ] - [ 0.0001661100000000, 0.0000474500000000, 0.0005947200000000 ] - [ -0.0014839100000000, 0.0032024500000000, 0.0032288000000000 ] - [ -0.0004294600000000, -0.0028999100000000, 0.0007322800000000 ] - [ 0.0006848400000000, 0.0008983600000000, -0.0001438700000000 ] - [ 0.0000718400000000, 0.0010982900000000, -0.0000005900000000 ] - [ 0.0003616300000000, 0.0005026400000000, -0.0001497600000000 ] - [ -0.0007013300000000, 0.0003060200000000, -0.0008679900000000 ] - [ 0.0007627900000000, -0.0004337900000000, -0.0005866600000000 ] - [ -0.0001777200000000, 0.0000523600000000, -0.0005751300000000 ] - [ -0.0065743900000000, 0.0012538100000000, -0.0003500000000000 ] - [ 0.0001700500000000, 0.0008787700000000, -0.0000372400000000 ] - [ 0.0011039600000000, 0.0029835800000000, 0.0001460300000000 ] - [ -0.0001187800000000, -0.0006483500000000, -0.0001192700000000 ] - [ 0.0002023600000000, -0.0004118400000000, 0.0000730700000000 ] - [ 0.0000351900000000, -0.0005927600000000, 0.0000293000000000 ] - [ -0.0002767600000000, 0.0020024800000000, 0.0008552500000000 ] - [ 0.0000878600000000, -0.0006474900000000, -0.0002403800000000 ] - [ 0.0001940100000000, 0.0004970700000000, 0.0005661800000000 ] - [ 0.0011233800000000, 0.0030495600000000, -0.0000259500000000 ] - [ -0.0004119500000000, -0.0005820100000000, 0.0010213500000000 ] - [ -0.0046366100000000, 0.0037406500000000, -0.0043510200000000 ] - [ -0.0001934700000000, -0.0009000400000000, 0.0015661200000000 ] - [ 0.0003752300000000, -0.0024296200000000, 0.0000948300000000 ] - [ -0.0000144800000000, -0.0007208300000000, 0.0000605900000000 ] - [ -0.0003193000000000, -0.0005863000000000, -0.0000035300000000 ] - [ 0.0010970900000000, 0.0032907300000000, 0.0016836600000000 ] - [ 0.0003348900000000, -0.0030779600000000, 0.0045593100000000 ] - [ -0.0000426000000000, -0.0011210900000000, 0.0000097000000000 ] - [ 0.0001026900000000, -0.0014489000000000, -0.0001844400000000 ] - [ 0.0002976700000000, 0.0015263400000000, 0.0001847000000000 ] - [ 0.0002336900000000, -0.0001007800000000, -0.0011243900000000 ] - [ -0.0003900100000000, -0.0008079800000000, 0.0006662900000000 ] - [ -0.0000402000000000, -0.0002725200000000, 0.0001239100000000 ] - [ 0.0000889100000000, -0.0018825700000000, -0.0060351000000000 ] - [ -0.0000691700000000, -0.0008781100000000, -0.0000579700000000 ] - [ 0.0003991700000000, 0.0012915400000000, -0.0001310000000000 ] - [ -0.0001109400000000, 0.0003662300000000, 0.0000468300000000 ] - [ 0.0221795100000000, -0.0582229500000000, -0.0042557800000000 ] - [ 0.0008966700000000, -0.0009373600000000, -0.0014902500000000 ] - [ -0.0004206500000000, -0.0008577100000000, -0.0000457000000000 ] - [ 0.0003175200000000, -0.0006068200000000, -0.0005136100000000 ] - [ 0.0006312600000000, -0.0009378900000000, -0.0004453600000000 ] - [ -0.0000249000000000, -0.0010680000000000, -0.0000251500000000 ] - [ -0.0001696500000000, -0.0007698300000000, 0.0004015400000000 ] - [ -0.0024177900000000, -0.0039339800000000, -0.0047820900000000 ] - [ 0.0006188000000000, 0.0043068600000000, -0.0022870200000000 ] - [ 0.0008582700000000, 0.0037841500000000, -0.0001994700000000 ] - [ -0.0007255900000000, -0.0000302400000000, -0.0015523700000000 ] - [ -0.0005301100000000, -0.0001246200000000, -0.0005026500000000 ] - [ -0.0000955400000000, -0.0008940400000000, -0.0001177800000000 ] - [ 0.0506300600000000, 0.4015892200000000, 0.0109758200000000 ] - [ -0.0004344600000000, -0.0029208600000000, -0.0001077300000000 ] - [ 0.0001822600000000, 0.0004914000000000, 0.0001666500000000 ] - [ -0.0003805200000000, 0.0013239500000000, -0.0000784200000000 ] - [ 0.0121036300000000, -0.0075230800000000, 0.0023814300000000 ] - [ -0.0004135200000000, -0.0010205800000000, -0.0006354100000000 ] - [ 0.0000698500000000, -0.0008148900000000, 0.0000309400000000 ] - [ -0.0037015500000000, -0.0023611400000000, 0.0021652700000000 ] - [ -0.0004210100000000, -0.0002942400000000, -0.0009320200000000 ] - [ 0.0001229000000000, -0.0006334000000000, -0.0003968500000000 ] - [ -0.0015386500000000, 0.0017230500000000, -0.0004831900000000 ] - [ 0.0002455300000000, -0.0006645900000000, -0.0000396900000000 ] - [ 0.0005792000000000, 0.0008737600000000, -0.0000539600000000 ] - [ 0.0001157200000000, -0.0002990000000000, 0.0006404100000000 ] - [ 0.0084306100000000, 0.0041432000000000, -0.0053009700000000 ] - [ -0.0376901200000000, -0.0330987100000000, 0.0020089800000000 ] - [ 0.0007908200000000, -0.0020040300000000, -0.0007684100000000 ] - [ -0.0007420400000000, 0.0010086100000000, -0.0005640000000000 ] - [ 0.0000383800000000, 0.0016891400000000, -0.0002125200000000 ] - [ -0.0005923700000000, -0.0032084000000000, 0.0011664200000000 ] - [ -0.0000134800000000, -0.0001289400000000, 0.0006608300000000 ] - [ 0.0023744000000000, -0.0019789200000000, 0.0000375500000000 ] - [ 0.0005829800000000, -0.0009649800000000, -0.0005211900000000 ] - [ -0.0001973900000000, -0.0022807600000000, 0.0003182700000000 ] - [ -0.0000746400000000, -0.0006188700000000, -0.0007028000000000 ] - [ -0.0001693900000000, -0.0025377700000000, -0.0007414900000000 ] - [ 0.0007727200000000, -0.0011244800000000, 0.0015978300000000 ] - [ -0.0037046900000000, -0.0026434400000000, 0.0000220300000000 ] - [ -0.0007659100000000, -0.0013852500000000, 0.0005164400000000 ] - [ -0.0001655700000000, 0.0004110700000000, -0.0003446600000000 ] - [ 0.0021554200000000, 0.0012652900000000, 0.0004821900000000 ] - [ -0.0011574800000000, 0.0020345800000000, -0.0002917700000000 ] - [ 0.0017837700000000, -0.0051015200000000, -0.0007599400000000 ] - [ 0.0008440600000000, -0.0019803900000000, -0.0027755700000000 ] - [ -0.0000208500000000, -0.0010189800000000, 0.0000959300000000 ] - [ 0.0001371400000000, -0.0006907200000000, -0.0008630500000000 ] - [ 0.0005557500000000, 0.0011955500000000, -0.0001365300000000 ] - [ -0.0002884400000000, -0.0007759500000000, 0.0008081600000000 ] - [ -0.0002987800000000, -0.0005994200000000, 0.0000308500000000 ] - [ 0.0010577400000000, 0.0018105800000000, -0.0000537300000000 ] - [ 0.0001347000000000, 0.0000231200000000, 0.0008655700000000 ] - [ 0.0003440100000000, 0.0003570800000000, 0.0017749600000000 ] - [ -0.0011927300000000, -0.0022160800000000, -0.0004205800000000 ] - [ 0.0010816000000000, 0.0018832700000000, -0.0021984000000000 ] - [ -0.0139725400000000, -0.0045638200000000, -0.0002707400000000 ] - [ 0.0000945200000000, 0.0011745600000000, -0.0002611900000000 ] - [ 0.0000264500000000, 0.0008272600000000, -0.0000877400000000 ] - [ -0.0009380200000000, 0.0010848600000000, 0.0004395600000000 ] - [ -0.0001233000000000, 0.0043191500000000, 0.0028514000000000 ] - [ -0.0001230100000000, -0.0004077100000000, 0.0000679300000000 ] - [ -0.0002492900000000, 0.0007206900000000, -0.0004393800000000 ] - [ 0.0000218300000000, -0.0019036700000000, 0.0001509400000000 ] - [ -0.0001000200000000, -0.0031307500000000, 0.0001025800000000 ] - [ -0.0003684900000000, -0.0003859100000000, 0.0001540700000000 ] - [ 0.0010812500000000, -0.0014991200000000, 0.0001488600000000 ] - [ -0.0000425200000000, -0.0017871600000000, -0.0000519400000000 ] - [ -0.0002834700000000, -0.0001044300000000, 0.0005055300000000 ] - [ 0.0028114200000000, -0.0046001600000000, 0.0001900900000000 ] - [ 0.0002326900000000, 0.0002183500000000, -0.0000781300000000 ]- atom: 118 displacement: [ -0.0035230240541542, 0.0000000000000000, 0.0093588621911988 ] forces: - [ 0.0003669500000000, -0.0001731000000000, -0.0004185300000000 ] - [ -0.0002542300000000, 0.0001112100000000, 0.0002290900000000 ] - [ 0.0003479600000000, -0.0000541600000000, -0.0000303300000000 ] - [ 0.0004326600000000, 0.0004693600000000, -0.0002234700000000 ] - [ -0.0000715700000000, -0.0002741400000000, -0.0000880600000000 ] - [ -0.0000957700000000, -0.0002679900000000, -0.0001437700000000 ] - [ -0.0000358000000000, 0.0003601900000000, 0.0000169600000000 ] - [ 0.0004338900000000, 0.0001171700000000, 0.0000586300000000 ] - [ 0.0000584800000000, -0.0002742800000000, 0.0002602800000000 ] - [ -0.0000444700000000, 0.0001285700000000, 0.0000185100000000 ] - [ -0.0005281500000000, -0.0003907200000000, -0.0010352400000000 ] - [ -0.0001688900000000, 0.0005738200000000, -0.0015213200000000 ] - [ 0.0009709000000000, -0.0002452600000000, 0.0006473800000000 ] - [ 0.0003576300000000, 0.0003339200000000, -0.0001739300000000 ] - [ 0.0001508500000000, -0.0003086100000000, 0.0000990700000000 ] - [ -0.0005268800000000, 0.0005036500000000, 0.0025235400000000 ] - [ -0.0000538000000000, -0.0002280100000000, -0.0000806400000000 ] - [ -0.0004796500000000, -0.0002294500000000, -0.0000763100000000 ] - [ -0.0001595200000000, -0.0003914000000000, -0.0008830600000000 ] - [ 0.0001935100000000, -0.0008661700000000, -0.0002685300000000 ] - [ 0.0002275300000000, 0.0001461600000000, -0.0003970600000000 ] - [ -0.0000251000000000, 0.0002502300000000, -0.0001547100000000 ] - [ -0.0002918700000000, 0.0000425500000000, 0.0000195000000000 ] - [ 0.0002413000000000, -0.0000070100000000, 0.0006091800000000 ] - [ 0.0000030300000000, 0.0001117300000000, -0.0009976200000000 ] - [ 0.0004594800000000, -0.0002418300000000, -0.0034955400000000 ] - [ -0.0002732500000000, -0.0005652800000000, 0.0003244200000000 ] - [ -0.0002141700000000, -0.0002485200000000, -0.0006490400000000 ] - [ 0.0005177200000000, 0.0003444900000000, 0.0004688500000000 ] - [ 0.0000926300000000, 0.0001094300000000, -0.0008273400000000 ] - [ -0.0001885600000000, 0.0001599900000000, -0.0004150700000000 ] - [ 0.0001556600000000, -0.0000665100000000, -0.0010281300000000 ] - [ 0.0013394500000000, 0.0020105100000000, 0.0008010700000000 ] - [ -0.0008035000000000, -0.0000725200000000, 0.0014156900000000 ] - [ 0.0002196800000000, 0.0010225400000000, 0.0091960500000000 ] - [ 0.0031530700000000, -0.0008034900000000, 0.0101978800000000 ] - [ 0.0003629700000000, -0.0001933100000000, 0.0000088600000000 ] - [ 0.0007742600000000, 0.0005206700000000, -0.0022896500000000 ] - [ -0.0000905200000000, -0.0003943700000000, -0.0002722700000000 ] - [ -0.0009335100000000, -0.0007025700000000, -0.0017103300000000 ] - [ -0.0000643000000000, 0.0003259000000000, -0.0006261200000000 ] - [ 0.0016536700000000, -0.0004228600000000, 0.0009523500000000 ] - [ -0.0000166300000000, -0.0003542100000000, 0.0002514200000000 ] - [ -0.0042283400000000, 0.0013752400000000, 0.0108508900000000 ] - [ -0.0001778700000000, -0.0002785300000000, -0.0002148000000000 ] - [ -0.0000159600000000, 0.0003956600000000, -0.0001603400000000 ] - [ -0.0036827200000000, 0.0009726100000000, 0.0005019200000000 ] - [ -0.0000256300000000, -0.0002207400000000, 0.0006025800000000 ] - [ 0.0025109400000000, -0.0009144100000000, 0.0001232300000000 ] - [ -0.0001789300000000, 0.0002820600000000, -0.0001308100000000 ] - [ 0.0003662200000000, 0.0001031600000000, -0.0002115700000000 ] - [ 0.0001803100000000, -0.0000929600000000, 0.0002358300000000 ] - [ 0.0002405700000000, 0.0002466400000000, -0.0001761400000000 ] - [ 0.0001204400000000, 0.0007039400000000, -0.0004161800000000 ] - [ 0.0000536300000000, -0.0003846500000000, 0.0000553400000000 ] - [ -0.0031510200000000, 0.0021043900000000, 0.0002272300000000 ] - [ 0.0000684400000000, 0.0002666100000000, -0.0001029600000000 ] - [ 0.0000464800000000, 0.0020462600000000, -0.0008314000000000 ] - [ -0.0000503800000000, 0.0001293100000000, -0.0000974500000000 ] - [ 0.0002052700000000, -0.0002907400000000, -0.0000549200000000 ] - [ -0.0001545600000000, -0.0000398000000000, -0.0003317400000000 ] - [ 0.0000788700000000, -0.0000887800000000, 0.0004995100000000 ] - [ -0.0236771600000000, -0.0137623000000000, 0.0478961300000000 ] - [ -0.0002470000000000, -0.0006436500000000, 0.0001239800000000 ] - [ 0.0054443600000000, 0.0046344400000000, -0.0027525600000000 ] - [ -0.0000412900000000, 0.0001924300000000, 0.0002414900000000 ] - [ -0.0000946400000000, 0.0000449200000000, 0.0000642000000000 ] - [ 0.0002403300000000, 0.0003127200000000, -0.0002614000000000 ] - [ 0.0002790100000000, -0.0006889100000000, -0.0008327300000000 ] - [ 0.0011706200000000, 0.0046856300000000, -0.0046415700000000 ] - [ -0.0002352400000000, -0.0000841300000000, 0.0003747600000000 ] - [ 0.0002429200000000, 0.0003495300000000, -0.0000597200000000 ] - [ -0.0001903600000000, -0.0004125300000000, 0.0001865900000000 ] - [ -0.0011581600000000, 0.0008291300000000, 0.0002810000000000 ] - [ -0.0002525800000000, 0.0000842100000000, -0.0019145200000000 ] - [ 0.0001360500000000, 0.0003997900000000, -0.0000016300000000 ] - [ 0.0006085600000000, -0.0004910900000000, -0.0001025800000000 ] - [ -0.0001130500000000, -0.0005634000000000, -0.0001575300000000 ] - [ 0.0000415000000000, 0.0001714800000000, 0.0001109800000000 ] - [ -0.0002477100000000, 0.0003581300000000, -0.0000155400000000 ] - [ 0.0001965500000000, 0.0003727200000000, 0.0001741100000000 ] - [ -0.0000684100000000, 0.0000084100000000, 0.0004948400000000 ] - [ -0.0018000300000000, -0.0021226200000000, 0.0009541400000000 ] - [ -0.0002696400000000, 0.0004026300000000, 0.0000023400000000 ] - [ 0.0000468300000000, -0.0001298400000000, 0.0003643100000000 ] - [ 0.0038113700000000, 0.0004515400000000, 0.0007091100000000 ] - [ 0.0002710900000000, -0.0012561300000000, 0.0005490400000000 ] - [ 0.0038114000000000, 0.0006843500000000, 0.0029977900000000 ] - [ 0.0000593100000000, -0.0005494400000000, -0.0004043200000000 ] - [ 0.0002730200000000, -0.0002429100000000, -0.0001055700000000 ] - [ 0.0001224200000000, 0.0001140000000000, 0.0002212700000000 ] - [ -0.0000793100000000, 0.0007165800000000, 0.0002839300000000 ] - [ -0.0029465300000000, -0.0009404600000000, -0.0004461400000000 ] - [ 0.0006413900000000, -0.0000370300000000, 0.0000596700000000 ] - [ -0.0001003500000000, -0.0005474300000000, 0.0002816900000000 ] - [ 0.0001247900000000, -0.0005078300000000, -0.0001479300000000 ] - [ 0.0002685900000000, 0.0002353500000000, 0.0004054500000000 ] - [ -0.0000273300000000, -0.0006469700000000, 0.0005043000000000 ] - [ -0.0002171000000000, 0.0001227600000000, 0.0002685600000000 ] - [ -0.0002217100000000, 0.0004925900000000, 0.0000200400000000 ] - [ 0.0003755300000000, 0.0002061000000000, -0.0007188500000000 ] - [ -0.0002928500000000, 0.0000708700000000, -0.0002785200000000 ] - [ 0.0005249900000000, -0.0007501400000000, 0.0038328900000000 ] - [ -0.0000853500000000, -0.0006185800000000, 0.0007254800000000 ] - [ 0.0026145200000000, 0.0145848800000000, -0.0141121600000000 ] - [ -0.0001173800000000, 0.0001759000000000, 0.0002151300000000 ] - [ -0.0002603200000000, 0.0001049400000000, -0.0001658500000000 ] - [ 0.0002476700000000, 0.0002584000000000, -0.0004723500000000 ] - [ 0.0000512400000000, 0.0000169700000000, -0.0001020900000000 ] - [ -0.0001606900000000, 0.0003744300000000, 0.0002428200000000 ] - [ -0.0002534800000000, -0.0005432600000000, 0.0006681900000000 ] - [ 0.0013308600000000, 0.0016275600000000, 0.0017274700000000 ] - [ -0.0048944900000000, 0.0007144600000000, 0.0066090700000000 ] - [ -0.0028758600000000, -0.0006152900000000, 0.0007844500000000 ] - [ -0.0002124400000000, -0.0000968400000000, 0.0005529400000000 ] - [ 0.0004648300000000, 0.0002239700000000, -0.0001152400000000 ] - [ 0.0003018100000000, 0.0001190400000000, 0.0001421700000000 ] - [ 0.0419186100000000, 0.0054911100000000, -0.0546498800000000 ] - [ -0.0000185500000000, -0.0002826100000000, -0.0002861600000000 ] - [ 0.0000917400000000, -0.0000798200000000, 0.0002650800000000 ] - [ -0.0001738000000000, 0.0003163500000000, 0.0001276000000000 ] - [ -0.0002258500000000, 0.0007189000000000, -0.0028698800000000 ] - [ -0.0000153900000000, 0.0002841300000000, 0.0002056600000000 ] - [ 0.0002150500000000, 0.0002698300000000, 0.0001438100000000 ] - [ -0.0005471200000000, -0.0010776400000000, -0.0000053600000000 ] - [ -0.0002218800000000, 0.0000684700000000, -0.0001529100000000 ] - [ -0.0002118400000000, -0.0003250700000000, 0.0002497900000000 ] - [ 0.0008283500000000, -0.0007341900000000, 0.0006466200000000 ] - [ 0.0004641300000000, 0.0001342100000000, 0.0001327400000000 ] - [ 0.0006225300000000, 0.0002602600000000, 0.0006084100000000 ] - [ 0.0000862000000000, -0.0002422400000000, 0.0003548000000000 ] - [ -0.0110436100000000, 0.0029905800000000, 0.0088188100000000 ] - [ -0.0059851600000000, -0.0189006300000000, -0.0158442100000000 ] - [ 0.0000775700000000, 0.0008420100000000, -0.0001525800000000 ] - [ -0.0004184900000000, -0.0001181000000000, 0.0005550400000000 ] - [ 0.0000333200000000, 0.0004059400000000, 0.0003273900000000 ] - [ 0.0017435200000000, -0.0007029700000000, -0.0012035400000000 ] - [ -0.0000490100000000, -0.0000981800000000, -0.0005372500000000 ] - [ -0.0001557500000000, 0.0007842200000000, -0.0003115800000000 ] - [ -0.0005216100000000, 0.0002682900000000, -0.0001480800000000 ] - [ -0.0001872000000000, -0.0005569100000000, 0.0000723000000000 ] - [ -0.0003869100000000, 0.0001641700000000, 0.0000154800000000 ] - [ 0.0000439100000000, 0.0001743600000000, -0.0003666700000000 ] - [ -0.0001340500000000, -0.0000738500000000, 0.0002059000000000 ] - [ -0.0004449300000000, -0.0002730900000000, 0.0000456000000000 ] - [ 0.0002912600000000, 0.0001154000000000, -0.0001652900000000 ] - [ -0.0001945300000000, 0.0000834100000000, 0.0004691000000000 ] - [ -0.0013127600000000, -0.0000782300000000, -0.0005620400000000 ] - [ -0.0024894000000000, -0.0006133700000000, -0.0007146900000000 ] - [ -0.0006104500000000, 0.0025629800000000, -0.0001213700000000 ] - [ -0.0001289400000000, 0.0005852300000000, 0.0008113100000000 ] - [ 0.0001237700000000, 0.0000388700000000, -0.0002594400000000 ] - [ 0.0000643800000000, -0.0000714000000000, -0.0002609200000000 ] - [ -0.0002689100000000, 0.0003865000000000, 0.0009644300000000 ] - [ -0.0003459700000000, -0.0000065800000000, 0.0000405800000000 ] - [ -0.0001182800000000, 0.0001724900000000, 0.0002431800000000 ] - [ -0.0027356700000000, 0.0018367800000000, 0.0003921800000000 ] - [ 0.0000992700000000, -0.0001807700000000, 0.0001729300000000 ] - [ 0.0002764600000000, -0.0007739900000000, -0.0001422800000000 ] - [ -0.0000968900000000, -0.0002121000000000, -0.0002235500000000 ] - [ -0.0011787000000000, -0.0017334500000000, 0.0033042300000000 ] - [ -0.0009003400000000, -0.0040445300000000, -0.0042052200000000 ] - [ -0.0002577700000000, 0.0001842300000000, 0.0003719000000000 ] - [ 0.0003236400000000, 0.0001707200000000, 0.0010538600000000 ] - [ 0.0001458800000000, -0.0004205100000000, 0.0005079100000000 ] - [ 0.0014296000000000, -0.0009372800000000, -0.0031812000000000 ] - [ -0.0001283900000000, 0.0000957900000000, 0.0000585800000000 ] - [ 0.0004330900000000, 0.0000423400000000, 0.0002050500000000 ] - [ 0.0000473400000000, -0.0001527800000000, -0.0000108600000000 ] - [ 0.0005378500000000, -0.0003987200000000, -0.0001237100000000 ] - [ -0.0004603200000000, 0.0003457500000000, 0.0001061200000000 ] - [ 0.0002842700000000, -0.0000140100000000, -0.0002820600000000 ] - [ -0.0002029600000000, 0.0001376400000000, -0.0002094800000000 ] - [ -0.0004728000000000, -0.0003851600000000, -0.0004461800000000 ] - [ 0.0006525100000000, -0.0000403100000000, -0.0000112700000000 ] - [ -0.0001500200000000, -0.0004741300000000, 0.0000488600000000 ]- atom: 118 displacement: [ 0.0035230240541542, 0.0000000000000000, -0.0093588621911988 ] forces: - [ -0.0001803900000000, -0.0000378300000000, 0.0006036900000000 ] - [ 0.0001243400000000, 0.0003261500000000, -0.0002823500000000 ] - [ 0.0002671600000000, 0.0000417800000000, -0.0001152400000000 ] - [ -0.0003481200000000, -0.0011317600000000, 0.0005173700000000 ] - [ -0.0000202000000000, -0.0003928800000000, -0.0001926100000000 ] - [ -0.0000942200000000, 0.0000504500000000, -0.0000408300000000 ] - [ -0.0001558300000000, -0.0001504200000000, -0.0002032100000000 ] - [ 0.0004332400000000, 0.0002177700000000, 0.0001577000000000 ] - [ -0.0000025300000000, 0.0001732200000000, -0.0003816600000000 ] - [ -0.0000144300000000, -0.0000278400000000, 0.0000943200000000 ] - [ 0.0006252400000000, 0.0010662100000000, 0.0013197600000000 ] - [ 0.0002968900000000, -0.0010042800000000, 0.0015666300000000 ] - [ -0.0001024900000000, -0.0000901000000000, -0.0004274300000000 ] - [ -0.0002988500000000, -0.0002250800000000, 0.0000623500000000 ] - [ -0.0002084300000000, 0.0002006200000000, 0.0000152300000000 ] - [ -0.0000988000000000, -0.0003958500000000, -0.0025270600000000 ] - [ -0.0000745400000000, -0.0002156700000000, 0.0000254700000000 ] - [ -0.0003882100000000, -0.0001108200000000, -0.0001439600000000 ] - [ -0.0007069900000000, 0.0007231900000000, 0.0006618700000000 ] - [ -0.0000575200000000, 0.0013107500000000, 0.0003109600000000 ] - [ 0.0003886200000000, -0.0001362600000000, 0.0002496900000000 ] - [ -0.0000669900000000, 0.0004116000000000, -0.0001242500000000 ] - [ -0.0003247000000000, -0.0000338400000000, 0.0001294200000000 ] - [ -0.0000402000000000, 0.0002188300000000, -0.0004130500000000 ] - [ 0.0005220300000000, -0.0004233700000000, 0.0019151600000000 ] - [ -0.0003887500000000, -0.0002218000000000, 0.0037850700000000 ] - [ -0.0000967300000000, -0.0004632900000000, 0.0003457600000000 ] - [ -0.0003100300000000, -0.0000795000000000, -0.0002699100000000 ] - [ -0.0005887700000000, 0.0001247700000000, -0.0007558100000000 ] - [ 0.0000945400000000, 0.0002102700000000, -0.0000461400000000 ] - [ 0.0000032500000000, 0.0001480100000000, 0.0012880500000000 ] - [ -0.0000403300000000, 0.0004355800000000, 0.0011124200000000 ] - [ -0.0017231400000000, -0.0009851200000000, -0.0001456100000000 ] - [ 0.0002844500000000, 0.0003829700000000, -0.0023324500000000 ] - [ -0.0000488300000000, -0.0014023400000000, -0.0092917100000000 ] - [ -0.0030714100000000, 0.0005541400000000, -0.0110534000000000 ] - [ 0.0000346000000000, 0.0003714200000000, -0.0001016000000000 ] - [ -0.0004087800000000, -0.0015527900000000, 0.0016316400000000 ] - [ 0.0000197700000000, -0.0000868800000000, -0.0000152600000000 ] - [ 0.0013252000000000, 0.0005138100000000, 0.0016168500000000 ] - [ -0.0000526500000000, 0.0000564300000000, 0.0005418900000000 ] - [ -0.0011416000000000, 0.0007460700000000, -0.0000336100000000 ] - [ 0.0001326300000000, -0.0000316000000000, -0.0001635300000000 ] - [ 0.0038901600000000, -0.0008563000000000, -0.0106221200000000 ] - [ -0.0002174300000000, 0.0000916400000000, 0.0002980200000000 ] - [ 0.0003887600000000, 0.0006110500000000, -0.0004966900000000 ] - [ 0.0037348900000000, -0.0005803400000000, -0.0002361400000000 ] - [ -0.0001615900000000, -0.0001058700000000, 0.0002670900000000 ] - [ -0.0028403200000000, 0.0004535000000000, -0.0001761200000000 ] - [ 0.0002533200000000, 0.0001149500000000, 0.0003002900000000 ] - [ 0.0000855600000000, -0.0000341800000000, -0.0004766100000000 ] - [ 0.0001150600000000, -0.0000428600000000, 0.0003032700000000 ] - [ 0.0001790300000000, 0.0004125300000000, -0.0000630300000000 ] - [ -0.0005436800000000, -0.0000422500000000, 0.0006542900000000 ] - [ 0.0002614300000000, -0.0001002800000000, -0.0000023700000000 ] - [ 0.0034280700000000, -0.0028666000000000, -0.0006747400000000 ] - [ -0.0000360500000000, 0.0003387800000000, -0.0001134200000000 ] - [ 0.0003572300000000, -0.0026938400000000, 0.0005833900000000 ] - [ -0.0000218300000000, 0.0002628900000000, -0.0000710400000000 ] - [ -0.0002367900000000, -0.0003123000000000, 0.0002715400000000 ] - [ -0.0001383300000000, 0.0001701500000000, -0.0002322300000000 ] - [ 0.0002136300000000, 0.0002200700000000, 0.0000470700000000 ] - [ 0.0240177600000000, 0.0158010500000000, -0.0479538100000000 ] - [ -0.0001592200000000, -0.0000283600000000, 0.0001079700000000 ] - [ -0.0056876200000000, -0.0047122100000000, 0.0022087400000000 ] - [ 0.0002994400000000, -0.0004505000000000, -0.0003611100000000 ] - [ -0.0001560400000000, 0.0002098800000000, 0.0000795700000000 ] - [ 0.0000596300000000, 0.0004714400000000, -0.0002007000000000 ] - [ -0.0005797500000000, 0.0014613900000000, 0.0012797200000000 ] - [ -0.0009225900000000, -0.0044595100000000, 0.0045241900000000 ] - [ -0.0002179500000000, 0.0000109400000000, 0.0003234700000000 ] - [ 0.0000733400000000, 0.0001202200000000, 0.0001138700000000 ] - [ -0.0001121400000000, -0.0003700700000000, 0.0002679000000000 ] - [ 0.0007154500000000, -0.0007678800000000, 0.0004126400000000 ] - [ 0.0006980000000000, -0.0001520200000000, 0.0012137300000000 ] - [ -0.0003921300000000, -0.0006632700000000, 0.0001408400000000 ] - [ -0.0006866400000000, 0.0000925000000000, -0.0000654300000000 ] - [ 0.0001454500000000, -0.0000538600000000, -0.0000588200000000 ] - [ 0.0000248900000000, -0.0005840800000000, 0.0000572900000000 ] - [ -0.0000698400000000, 0.0001239000000000, -0.0000375400000000 ] - [ 0.0002783000000000, 0.0004338000000000, -0.0001094000000000 ] - [ -0.0000638500000000, -0.0000247700000000, 0.0003404900000000 ] - [ 0.0012601100000000, 0.0019648200000000, -0.0004793000000000 ] - [ -0.0000027600000000, 0.0003795700000000, -0.0002454600000000 ] - [ 0.0000206600000000, 0.0000035500000000, 0.0002979000000000 ] - [ -0.0033478600000000, -0.0003888300000000, -0.0004832500000000 ] - [ 0.0002181400000000, 0.0011600400000000, -0.0008065900000000 ] - [ -0.0043367800000000, -0.0005880700000000, -0.0031744200000000 ] - [ -0.0004524900000000, 0.0004865200000000, 0.0008197700000000 ] - [ 0.0002015200000000, -0.0005524700000000, 0.0001703100000000 ] - [ 0.0001071800000000, 0.0000270600000000, 0.0000596800000000 ] - [ -0.0001975300000000, 0.0003744400000000, 0.0000644800000000 ] - [ 0.0024497000000000, 0.0014277100000000, 0.0012552400000000 ] - [ -0.0000729700000000, 0.0000249300000000, 0.0004883800000000 ] - [ -0.0000509900000000, -0.0006310600000000, 0.0000575800000000 ] - [ 0.0000939100000000, -0.0006138200000000, -0.0002199500000000 ] - [ 0.0000008800000000, 0.0005357400000000, -0.0001617100000000 ] - [ 0.0001798500000000, -0.0005281500000000, -0.0008412600000000 ] - [ -0.0001729700000000, -0.0000514500000000, 0.0001411000000000 ] - [ -0.0001664000000000, 0.0003759100000000, -0.0000802300000000 ] - [ -0.0002446800000000, -0.0001805600000000, -0.0000825000000000 ] - [ -0.0002794800000000, -0.0000395700000000, -0.0002967300000000 ] - [ 0.0000419500000000, 0.0007823500000000, -0.0032792200000000 ] - [ -0.0001367000000000, -0.0005104800000000, -0.0003582600000000 ] - [ -0.0024111300000000, -0.0154635800000000, 0.0138896600000000 ] - [ -0.0001254400000000, -0.0000817900000000, -0.0000128500000000 ] - [ -0.0002233000000000, -0.0000307500000000, -0.0000503300000000 ] - [ 0.0002337500000000, 0.0002550700000000, -0.0003617600000000 ] - [ 0.0001836700000000, -0.0001037200000000, -0.0000897300000000 ] - [ -0.0001726300000000, 0.0001732100000000, 0.0003434600000000 ] - [ -0.0000792400000000, 0.0000011900000000, -0.0000802000000000 ] - [ -0.0007583400000000, -0.0017089500000000, -0.0015110600000000 ] - [ 0.0053019100000000, -0.0002074800000000, -0.0072725700000000 ] - [ 0.0029482000000000, 0.0007276800000000, -0.0001211900000000 ] - [ -0.0002657200000000, -0.0004167700000000, 0.0002940900000000 ] - [ -0.0002260400000000, -0.0001324700000000, -0.0000803700000000 ] - [ 0.0002659700000000, -0.0000254700000000, 0.0000661500000000 ] - [ -0.0421223900000000, -0.0075679300000000, 0.0552258300000000 ] - [ -0.0002534400000000, -0.0004856500000000, 0.0000428700000000 ] - [ 0.0002344800000000, -0.0000666000000000, 0.0000668800000000 ] - [ -0.0003001800000000, 0.0004804600000000, -0.0001930300000000 ] - [ -0.0000392500000000, -0.0009841500000000, 0.0032018500000000 ] - [ -0.0003099300000000, -0.0004187800000000, -0.0005369500000000 ] - [ 0.0000029800000000, 0.0000664500000000, -0.0000270600000000 ] - [ 0.0001627500000000, 0.0002086800000000, -0.0000495400000000 ] - [ -0.0000079000000000, -0.0002062100000000, -0.0001244100000000 ] - [ 0.0001426400000000, 0.0002103200000000, -0.0009143700000000 ] - [ -0.0010523000000000, 0.0008654500000000, -0.0009263400000000 ] - [ 0.0004792800000000, 0.0000110600000000, -0.0000094800000000 ] - [ 0.0003398900000000, 0.0003268100000000, -0.0007417700000000 ] - [ -0.0005744300000000, 0.0001738300000000, -0.0005729500000000 ] - [ 0.0106270300000000, -0.0030173100000000, -0.0084860400000000 ] - [ 0.0058592300000000, 0.0186864000000000, 0.0155614500000000 ] - [ 0.0000701800000000, 0.0003449200000000, -0.0001837600000000 ] - [ -0.0005194600000000, 0.0002571500000000, -0.0006766000000000 ] - [ 0.0002454800000000, 0.0006710400000000, -0.0006761000000000 ] - [ -0.0007917900000000, 0.0005623200000000, 0.0013237500000000 ] - [ 0.0004428100000000, 0.0000315700000000, 0.0001162000000000 ] - [ 0.0003755700000000, 0.0003397300000000, -0.0000567500000000 ] - [ -0.0004223600000000, -0.0004053700000000, 0.0000277300000000 ] - [ -0.0000887200000000, -0.0005239500000000, 0.0002758300000000 ] - [ -0.0001789100000000, -0.0002524800000000, -0.0002198200000000 ] - [ -0.0001124500000000, -0.0000419100000000, -0.0002955500000000 ] - [ -0.0004242400000000, 0.0002503900000000, 0.0002591300000000 ] - [ 0.0002457000000000, 0.0014149900000000, 0.0003249100000000 ] - [ 0.0002006700000000, -0.0000040800000000, -0.0000904800000000 ] - [ -0.0000378700000000, -0.0002232000000000, -0.0000396700000000 ] - [ 0.0003520200000000, -0.0005136700000000, 0.0006948400000000 ] - [ 0.0020291900000000, -0.0001968600000000, 0.0006537300000000 ] - [ 0.0008311200000000, -0.0026811800000000, 0.0004028900000000 ] - [ 0.0003603300000000, -0.0007121100000000, -0.0012301300000000 ] - [ 0.0001090300000000, 0.0000983700000000, -0.0001647300000000 ] - [ 0.0004171900000000, -0.0004357900000000, -0.0005755900000000 ] - [ 0.0006588500000000, 0.0004790700000000, -0.0009058700000000 ] - [ -0.0001424700000000, -0.0000970600000000, 0.0002084300000000 ] - [ -0.0001580900000000, 0.0000685900000000, 0.0000887300000000 ] - [ 0.0030102300000000, -0.0026303000000000, -0.0001524500000000 ] - [ 0.0003890600000000, 0.0001099800000000, 0.0000396200000000 ] - [ 0.0000545400000000, 0.0002249700000000, -0.0004547100000000 ] - [ 0.0003813400000000, -0.0000174200000000, -0.0001068300000000 ] - [ 0.0013016100000000, 0.0016953400000000, -0.0041216600000000 ] - [ 0.0007340600000000, 0.0051846400000000, 0.0045488800000000 ] - [ 0.0000398900000000, 0.0001389300000000, -0.0004896300000000 ] - [ 0.0000679400000000, -0.0001068400000000, -0.0014663700000000 ] - [ -0.0006301200000000, 0.0005237100000000, -0.0002553800000000 ] - [ -0.0016635300000000, 0.0010588100000000, 0.0036028200000000 ] - [ -0.0000032600000000, -0.0000748500000000, 0.0007688200000000 ] - [ -0.0001585800000000, 0.0001970600000000, -0.0005367300000000 ] - [ 0.0001708400000000, -0.0001742100000000, 0.0001283100000000 ] - [ 0.0004281700000000, -0.0001731600000000, -0.0000092600000000 ] - [ -0.0005027400000000, 0.0002417300000000, 0.0000252100000000 ] - [ 0.0002644900000000, -0.0001522700000000, -0.0001936400000000 ] - [ -0.0001225700000000, 0.0000066100000000, -0.0001230600000000 ] - [ -0.0000981900000000, 0.0003593100000000, -0.0001253000000000 ] - [ -0.0002790700000000, -0.0008055000000000, 0.0000695700000000 ] - [ 0.0007086200000000, 0.0006517600000000, -0.0005198400000000 ]- atom: 122 displacement: [ 0.0099999639143206, 0.0000000000000000, -0.0000268647033593 ] forces: - [ -0.0001744400000000, -0.0002790800000000, -0.0002408700000000 ] - [ -0.0013170900000000, -0.0003639500000000, -0.0000723100000000 ] - [ 0.0002379600000000, 0.0001232500000000, 0.0000265900000000 ] - [ 0.0002566800000000, -0.0003487700000000, 0.0002329800000000 ] - [ 0.0007438900000000, 0.0004167400000000, -0.0014213600000000 ] - [ -0.0000498300000000, -0.0003359300000000, -0.0001495300000000 ] - [ -0.0011894200000000, -0.0004136400000000, 0.0001768200000000 ] - [ 0.0004544400000000, 0.0002301000000000, 0.0000419900000000 ] - [ 0.0002013500000000, -0.0002184400000000, -0.0001502600000000 ] - [ 0.0000965400000000, -0.0001589700000000, 0.0000889500000000 ] - [ 0.0003297500000000, 0.0006869400000000, 0.0003799200000000 ] - [ 0.0002937900000000, 0.0001808500000000, -0.0004007900000000 ] - [ -0.0020674900000000, -0.0011840500000000, 0.0022258200000000 ] - [ -0.0002050700000000, 0.0000143400000000, 0.0001281100000000 ] - [ 0.0009520500000000, 0.0004053500000000, 0.0012154600000000 ] - [ 0.0058590000000000, -0.0025135900000000, -0.0057567500000000 ] - [ -0.0001544200000000, -0.0000438500000000, -0.0002325800000000 ] - [ -0.0003951300000000, -0.0001194400000000, -0.0000944100000000 ] - [ 0.0002292600000000, 0.0000567700000000, -0.0001683100000000 ] - [ -0.0001363600000000, 0.0004356800000000, 0.0001086100000000 ] - [ 0.0008477600000000, 0.0000103500000000, -0.0007970500000000 ] - [ -0.0001585200000000, 0.0005484100000000, 0.0001021100000000 ] - [ -0.0002786700000000, 0.0000680200000000, 0.0000891000000000 ] - [ -0.0001218100000000, 0.0003876300000000, 0.0000770700000000 ] - [ 0.0002671800000000, 0.0001171100000000, -0.0007727900000000 ] - [ 0.0000391100000000, -0.0000908600000000, 0.0003668100000000 ] - [ -0.0002581100000000, -0.0003539700000000, 0.0003278900000000 ] - [ -0.0002216400000000, -0.0002262500000000, -0.0003440100000000 ] - [ -0.0112260100000000, 0.0087492300000000, 0.0003325000000000 ] - [ 0.0001035800000000, 0.0003476300000000, -0.0004157500000000 ] - [ -0.0002950100000000, -0.0000938200000000, 0.0015067300000000 ] - [ -0.0001547400000000, -0.0001104600000000, -0.0020896400000000 ] - [ -0.0111635500000000, -0.0028972200000000, -0.0083865100000000 ] - [ 0.0094080200000000, -0.0131304500000000, 0.0003602500000000 ] - [ -0.0049204300000000, 0.0015195600000000, 0.0012313100000000 ] - [ 0.0172996200000000, -0.0013451400000000, 0.0006562400000000 ] - [ -0.0000176700000000, 0.0005894100000000, -0.0002598300000000 ] - [ -0.0018177600000000, -0.0006607800000000, -0.0001596700000000 ] - [ -0.0000514600000000, -0.0002910000000000, -0.0003523800000000 ] - [ -0.0018686900000000, -0.0008739300000000, -0.0020716400000000 ] - [ -0.0000949200000000, 0.0003850900000000, -0.0003036400000000 ] - [ 0.0000750900000000, -0.0003885100000000, 0.0007052000000000 ] - [ -0.0014139400000000, -0.0001483400000000, 0.0002844800000000 ] - [ 0.0010478500000000, 0.0050672500000000, -0.0067791800000000 ] - [ -0.0002872600000000, 0.0000663700000000, -0.0000593900000000 ] - [ 0.0002959900000000, 0.0006557200000000, -0.0003376100000000 ] - [ 0.0007350300000000, 0.0010529000000000, 0.0002664400000000 ] - [ 0.0008853500000000, 0.0010558400000000, 0.0006799300000000 ] - [ -0.0008380700000000, -0.0021254700000000, 0.0002359300000000 ] - [ 0.0000673800000000, 0.0001497900000000, 0.0002225400000000 ] - [ 0.0002005300000000, 0.0000182200000000, -0.0001893900000000 ] - [ 0.0001820500000000, -0.0000054800000000, 0.0000397700000000 ] - [ 0.0002123100000000, 0.0003893900000000, -0.0001358600000000 ] - [ -0.0000612100000000, 0.0004851500000000, -0.0003219100000000 ] - [ 0.0010913600000000, -0.0011823800000000, -0.0000913400000000 ] - [ -0.0031645600000000, 0.0014166600000000, 0.0000835100000000 ] - [ -0.0011043200000000, 0.0017202400000000, 0.0000145100000000 ] - [ -0.0099808200000000, 0.0008851800000000, 0.0018156900000000 ] - [ -0.0000230300000000, 0.0002676100000000, -0.0000834000000000 ] - [ -0.0000283800000000, -0.0001344400000000, 0.0001265600000000 ] - [ -0.0001579200000000, 0.0001288500000000, -0.0001034500000000 ] - [ -0.0004706800000000, -0.0008523200000000, 0.0037264400000000 ] - [ 0.0035170900000000, 0.0065663500000000, 0.0003237600000000 ] - [ -0.0005020300000000, -0.0001201500000000, 0.0002527500000000 ] - [ 0.0034681400000000, 0.0016083000000000, 0.0008309500000000 ] - [ 0.0000588200000000, 0.0000527400000000, -0.0000702900000000 ] - [ -0.0001939500000000, 0.0002368200000000, 0.0001180300000000 ] - [ 0.0000402300000000, 0.0004251800000000, -0.0003827300000000 ] - [ -0.0005706300000000, -0.0007603800000000, -0.0023402700000000 ] - [ -0.0011394100000000, -0.0008888900000000, 0.0002795600000000 ] - [ 0.0001597400000000, 0.0000856800000000, 0.0006289300000000 ] - [ 0.0001818800000000, 0.0001019700000000, 0.0000767600000000 ] - [ -0.0002671300000000, -0.0004179800000000, 0.0001576300000000 ] - [ 0.0004985300000000, -0.0002438000000000, 0.0021894700000000 ] - [ 0.0025970500000000, -0.0018548600000000, -0.0012666100000000 ] - [ -0.0010187600000000, -0.0001368500000000, -0.0034436200000000 ] - [ 0.1994042400000000, -0.0786405000000000, 0.0090621200000000 ] - [ -0.0001339900000000, -0.0006025700000000, -0.0001775500000000 ] - [ 0.0002271000000000, -0.0000312100000000, 0.0000985300000000 ] - [ -0.0001750300000000, 0.0003977500000000, -0.0000443000000000 ] - [ 0.0002224100000000, 0.0004844700000000, -0.0001637100000000 ] - [ -0.0001470300000000, -0.0000722900000000, 0.0007097100000000 ] - [ 0.0035041500000000, 0.0010029700000000, 0.0007487600000000 ] - [ -0.0001469200000000, 0.0005323200000000, 0.0000802100000000 ] - [ 0.0000305100000000, -0.0002045900000000, 0.0003358200000000 ] - [ -0.0028709800000000, 0.0005645800000000, 0.0009939900000000 ] - [ 0.0010092300000000, 0.0007670100000000, -0.0014130600000000 ] - [ 0.0042333000000000, -0.0046333200000000, 0.0042242900000000 ] - [ -0.0009194300000000, 0.0019537200000000, -0.0017824400000000 ] - [ -0.0014424400000000, 0.0002985700000000, 0.0000397600000000 ] - [ 0.0001766100000000, 0.0000755600000000, 0.0002140600000000 ] - [ -0.0000412200000000, 0.0007276100000000, 0.0004420500000000 ] - [ -0.0021102700000000, 0.0007549100000000, -0.0022832100000000 ] - [ 0.0002066200000000, -0.0002025500000000, 0.0003460900000000 ] - [ -0.0000690300000000, -0.0006815500000000, 0.0002193800000000 ] - [ 0.0000978400000000, -0.0006034100000000, -0.0002120200000000 ] - [ 0.0001680500000000, 0.0002319200000000, 0.0003027500000000 ] - [ -0.0000555300000000, -0.0005338500000000, 0.0005652300000000 ] - [ -0.0003088100000000, -0.0000191400000000, -0.0000216800000000 ] - [ -0.0001631300000000, 0.0004027800000000, 0.0000277000000000 ] - [ -0.0000156600000000, -0.0001495600000000, -0.0006251300000000 ] - [ -0.0002217700000000, -0.0000482600000000, -0.0003205100000000 ] - [ 0.0008266600000000, 0.0001177400000000, 0.0000453400000000 ] - [ -0.0001420100000000, -0.0005679800000000, 0.0002392800000000 ] - [ 0.0002183700000000, -0.0035295900000000, -0.0005601800000000 ] - [ -0.0000666700000000, -0.0000457300000000, 0.0000538900000000 ] - [ -0.0004825600000000, -0.0002046800000000, -0.0004849600000000 ] - [ 0.0000008200000000, 0.0000673300000000, -0.0002697600000000 ] - [ 0.0000777200000000, -0.0002185600000000, 0.0000456400000000 ] - [ 0.0001387800000000, 0.0002999000000000, 0.0001118200000000 ] - [ -0.0001414600000000, -0.0009457800000000, 0.0023893300000000 ] - [ 0.0016351600000000, 0.0020883800000000, 0.0026301700000000 ] - [ 0.0012571900000000, 0.0001698900000000, -0.0010344900000000 ] - [ 0.0027089500000000, 0.0027506600000000, -0.0000396000000000 ] - [ -0.0003151600000000, -0.0002937300000000, 0.0003989000000000 ] - [ 0.0017088200000000, 0.0008067300000000, -0.0013091000000000 ] - [ 0.0004445200000000, 0.0000072100000000, 0.0001924300000000 ] - [ 0.0027608600000000, -0.0122747600000000, 0.0010571900000000 ] - [ 0.0006078500000000, 0.0014204300000000, -0.0000018100000000 ] - [ 0.0001804700000000, -0.0002286700000000, 0.0001937500000000 ] - [ -0.0002092700000000, 0.0002928500000000, 0.0000115500000000 ] - [ -0.3057449200000000, 0.1213744300000000, -0.0131897800000000 ] - [ 0.0000467600000000, 0.0003185300000000, 0.0002290500000000 ] - [ 0.0002376200000000, 0.0003034600000000, -0.0000669200000000 ] - [ 0.0094527800000000, 0.0003734400000000, -0.0015363600000000 ] - [ -0.0000614100000000, -0.0000645100000000, -0.0000123100000000 ] - [ 0.0000737900000000, 0.0000440900000000, -0.0002126200000000 ] - [ 0.0017151200000000, -0.0001829200000000, 0.0009785400000000 ] - [ 0.0004549100000000, 0.0000440600000000, 0.0000939800000000 ] - [ 0.0004920200000000, 0.0003730800000000, -0.0002491700000000 ] - [ -0.0010996400000000, 0.0000587400000000, -0.0010705900000000 ] - [ -0.0067434200000000, -0.0028118500000000, 0.0018008100000000 ] - [ -0.0038767700000000, -0.0002578400000000, -0.0003230600000000 ] - [ 0.0002578700000000, 0.0003815700000000, -0.0002027300000000 ] - [ -0.0004391700000000, -0.0000300300000000, 0.0005216700000000 ] - [ 0.0001763200000000, 0.0003978200000000, -0.0000844600000000 ] - [ 0.0126557100000000, 0.0033659600000000, 0.0005526200000000 ] - [ 0.0002658300000000, -0.0000184800000000, -0.0004636200000000 ] - [ 0.0055836300000000, -0.0342296500000000, 0.0001940900000000 ] - [ -0.0002382400000000, -0.0001020000000000, -0.0001115600000000 ] - [ 0.0019197600000000, -0.0023181900000000, 0.0003203600000000 ] - [ -0.0001486900000000, -0.0001296300000000, -0.0000304300000000 ] - [ -0.0000726900000000, 0.0004895100000000, -0.0003364600000000 ] - [ -0.0001992600000000, -0.0000601900000000, 0.0002596200000000 ] - [ -0.0004433200000000, 0.0004652100000000, 0.0001550300000000 ] - [ -0.0000563800000000, -0.0000634100000000, -0.0001431800000000 ] - [ -0.0000729300000000, -0.0000658400000000, 0.0003987400000000 ] - [ 0.0685730800000000, -0.0034196200000000, 0.0057254700000000 ] - [ 0.0007698800000000, 0.0008782200000000, 0.0002246500000000 ] - [ -0.0001716500000000, 0.0048878300000000, 0.0050394900000000 ] - [ -0.0002628500000000, 0.0013459300000000, 0.0023984100000000 ] - [ 0.0003459700000000, 0.0001323400000000, -0.0001540800000000 ] - [ 0.0000090300000000, -0.0001215700000000, -0.0018623600000000 ] - [ 0.0001677100000000, 0.0004085300000000, 0.0002246900000000 ] - [ -0.0001680300000000, -0.0001209800000000, 0.0000878200000000 ] - [ -0.0001451200000000, 0.0000509700000000, 0.0001573800000000 ] - [ 0.0015161500000000, 0.0003214000000000, -0.0002686900000000 ] - [ 0.0002250500000000, -0.0000743200000000, 0.0000150800000000 ] - [ 0.0001320900000000, -0.0004909100000000, -0.0002544200000000 ] - [ 0.0000128200000000, -0.0003447700000000, -0.0002002200000000 ] - [ -0.0007662600000000, -0.0004703600000000, -0.0005900500000000 ] - [ 0.0044704200000000, -0.0003865500000000, -0.0007663600000000 ] - [ -0.0001206000000000, 0.0000147900000000, -0.0000876900000000 ] - [ -0.0005098600000000, 0.0006151000000000, 0.0011072800000000 ] - [ -0.0017155200000000, 0.0022870900000000, 0.0026348000000000 ] - [ 0.0011598600000000, -0.0007495900000000, -0.0002706800000000 ] - [ 0.0016769600000000, -0.0006616500000000, -0.0038482400000000 ] - [ 0.0002389200000000, 0.0002661800000000, -0.0000321400000000 ] - [ 0.0006338200000000, -0.0028993200000000, 0.0003396700000000 ] - [ 0.0002344300000000, -0.0005068800000000, -0.0001185200000000 ] - [ -0.0004842200000000, 0.0002288800000000, 0.0000885700000000 ] - [ 0.0003553700000000, -0.0001798600000000, -0.0002451000000000 ] - [ 0.0004399600000000, -0.0012576900000000, -0.0001951700000000 ] - [ 0.0019824800000000, -0.0011487100000000, 0.0041616600000000 ] - [ 0.0003845500000000, -0.0007217300000000, -0.0000262400000000 ] - [ 0.0018384200000000, 0.0005836600000000, 0.0017185700000000 ]- atom: 122 displacement: [ -0.0099999639143206, 0.0000000000000000, 0.0000268647033593 ] forces: - [ 0.0003617800000000, 0.0000628000000000, 0.0004279900000000 ] - [ 0.0011863100000000, 0.0007996000000000, 0.0000138800000000 ] - [ 0.0003779600000000, -0.0001340200000000, -0.0001706400000000 ] - [ -0.0001651600000000, -0.0003234900000000, 0.0000459800000000 ] - [ -0.0008399100000000, -0.0010796600000000, 0.0011400700000000 ] - [ -0.0001403000000000, 0.0001167400000000, -0.0000378300000000 ] - [ 0.0010012700000000, 0.0006253700000000, -0.0003584200000000 ] - [ 0.0004147300000000, 0.0001079800000000, 0.0001773900000000 ] - [ -0.0001428000000000, 0.0001026600000000, 0.0000311100000000 ] - [ -0.0001564100000000, 0.0002688900000000, 0.0000276300000000 ] - [ -0.0002320900000000, -0.0000195700000000, -0.0001048300000000 ] - [ -0.0001560300000000, -0.0006237600000000, 0.0004578400000000 ] - [ 0.0029344400000000, 0.0008545300000000, -0.0020198900000000 ] - [ 0.0002598400000000, 0.0000957800000000, -0.0002448100000000 ] - [ -0.0010137600000000, -0.0005119100000000, -0.0010950600000000 ] - [ -0.0062712800000000, 0.0024069100000000, 0.0056087100000000 ] - [ 0.0000237000000000, -0.0004004100000000, 0.0001775700000000 ] - [ -0.0004745400000000, -0.0002211200000000, -0.0001253800000000 ] - [ -0.0010995800000000, 0.0002884600000000, -0.0000452300000000 ] - [ 0.0002667300000000, 0.0000077900000000, -0.0000533400000000 ] - [ -0.0002361000000000, 0.0000023000000000, 0.0006470800000000 ] - [ 0.0000658700000000, 0.0001171800000000, -0.0003803700000000 ] - [ -0.0003379300000000, -0.0000597600000000, 0.0000551200000000 ] - [ 0.0003115500000000, -0.0001682700000000, 0.0001103100000000 ] - [ 0.0002407600000000, -0.0004382200000000, 0.0016602900000000 ] - [ 0.0000440600000000, -0.0003838900000000, -0.0000662400000000 ] - [ -0.0001321700000000, -0.0006743800000000, 0.0003391400000000 ] - [ -0.0002876200000000, -0.0001017800000000, -0.0005609400000000 ] - [ 0.0111132100000000, -0.0083421600000000, -0.0006155900000000 ] - [ 0.0000782100000000, -0.0000311500000000, -0.0004427500000000 ] - [ 0.0001116600000000, 0.0004129100000000, -0.0006561700000000 ] - [ 0.0002690600000000, 0.0004803900000000, 0.0021670300000000 ] - [ 0.0107983700000000, 0.0039603500000000, 0.0091278300000000 ] - [ -0.0097988200000000, 0.0135284400000000, -0.0012450700000000 ] - [ 0.0048104000000000, -0.0018623400000000, -0.0013012500000000 ] - [ -0.0172908100000000, 0.0006901800000000, -0.0014729300000000 ] - [ 0.0003915100000000, -0.0004077900000000, 0.0001585700000000 ] - [ 0.0022114900000000, -0.0003652300000000, -0.0004968300000000 ] - [ -0.0000341400000000, -0.0001900300000000, 0.0000708700000000 ] - [ 0.0022382700000000, 0.0006889900000000, 0.0019509200000000 ] - [ -0.0000177900000000, -0.0000163300000000, 0.0002276600000000 ] - [ 0.0004274100000000, 0.0007045500000000, 0.0002021500000000 ] - [ 0.0015290600000000, -0.0002288200000000, -0.0002079600000000 ] - [ -0.0009035700000000, -0.0049186400000000, 0.0073068100000000 ] - [ -0.0000869200000000, -0.0002555300000000, 0.0001611000000000 ] - [ 0.0000944100000000, 0.0003659700000000, -0.0003291800000000 ] - [ -0.0006450500000000, -0.0005818600000000, 0.0000151600000000 ] - [ -0.0010686000000000, -0.0013779800000000, 0.0001775100000000 ] - [ 0.0004762100000000, 0.0016766300000000, -0.0002829100000000 ] - [ -0.0000054000000000, 0.0002344700000000, -0.0000599800000000 ] - [ 0.0002348400000000, 0.0000586000000000, -0.0005083100000000 ] - [ 0.0001109600000000, -0.0001386700000000, 0.0005031900000000 ] - [ 0.0002009200000000, 0.0002823200000000, -0.0000936800000000 ] - [ -0.0003500900000000, 0.0001933300000000, 0.0005499900000000 ] - [ -0.0007597800000000, 0.0007003600000000, 0.0001389400000000 ] - [ 0.0034375400000000, -0.0021744400000000, -0.0005416200000000 ] - [ 0.0011265800000000, -0.0011241000000000, -0.0002279600000000 ] - [ 0.0103746400000000, -0.0015324300000000, -0.0020458100000000 ] - [ -0.0000412800000000, 0.0001101100000000, -0.0000793200000000 ] - [ 0.0000005700000000, -0.0004712100000000, 0.0000882900000000 ] - [ -0.0001338500000000, 0.0000133000000000, -0.0004414400000000 ] - [ 0.0007583400000000, 0.0009951100000000, -0.0031925100000000 ] - [ -0.0035215000000000, -0.0059603700000000, -0.0001074000000000 ] - [ 0.0000886500000000, -0.0005561500000000, -0.0000246800000000 ] - [ -0.0038067000000000, -0.0017740300000000, -0.0013548200000000 ] - [ 0.0001980400000000, -0.0003158300000000, -0.0000684700000000 ] - [ -0.0000610000000000, 0.0000215600000000, 0.0000198100000000 ] - [ 0.0002479700000000, 0.0003428500000000, -0.0000767300000000 ] - [ 0.0003041200000000, 0.0015132600000000, 0.0028106800000000 ] - [ 0.0013968900000000, 0.0011648500000000, -0.0004128500000000 ] - [ -0.0005974800000000, -0.0001645500000000, 0.0000706400000000 ] - [ 0.0001496100000000, 0.0003758400000000, -0.0000287100000000 ] - [ -0.0000244900000000, -0.0003531900000000, 0.0003026200000000 ] - [ -0.0009245300000000, 0.0003155000000000, -0.0015023200000000 ] - [ -0.0022176300000000, 0.0017957800000000, 0.0005156700000000 ] - [ 0.0007625300000000, -0.0001263400000000, 0.0035919700000000 ] - [ -0.2120577100000000, 0.0865607000000000, -0.0099154200000000 ] - [ 0.0001615400000000, -0.0000038100000000, -0.0000373700000000 ] - [ -0.0001637800000000, -0.0003531100000000, 0.0000641700000000 ] - [ -0.0001572400000000, 0.0000800500000000, -0.0000042600000000 ] - [ 0.0002991600000000, 0.0003034500000000, 0.0002247300000000 ] - [ 0.0000137100000000, 0.0000549800000000, 0.0001445900000000 ] - [ -0.0040888500000000, -0.0012104500000000, -0.0002964400000000 ] - [ -0.0001490300000000, 0.0002227700000000, -0.0003235800000000 ] - [ 0.0000484600000000, 0.0001298600000000, 0.0003277400000000 ] - [ 0.0033707000000000, -0.0004367600000000, -0.0007276900000000 ] - [ -0.0005582400000000, -0.0008462700000000, 0.0011679800000000 ] - [ -0.0047417900000000, 0.0046629600000000, -0.0043824700000000 ] - [ 0.0005200600000000, -0.0020412600000000, 0.0021661500000000 ] - [ 0.0019599600000000, -0.0010807200000000, 0.0000217400000000 ] - [ 0.0000703200000000, 0.0000628000000000, 0.0000770200000000 ] - [ -0.0002103800000000, 0.0003460700000000, -0.0000920000000000 ] - [ 0.0016550600000000, -0.0002520100000000, 0.0031041900000000 ] - [ 0.0003683900000000, 0.0001761000000000, 0.0002426200000000 ] - [ -0.0000818000000000, -0.0005067200000000, 0.0001163700000000 ] - [ 0.0001274700000000, -0.0005002000000000, -0.0001547000000000 ] - [ 0.0001251900000000, 0.0005226200000000, -0.0000577700000000 ] - [ 0.0002032900000000, -0.0006592000000000, -0.0008985600000000 ] - [ -0.0000736300000000, 0.0000975800000000, 0.0004019800000000 ] - [ -0.0002410300000000, 0.0004738600000000, -0.0000787800000000 ] - [ 0.0001468800000000, 0.0001696200000000, -0.0002268900000000 ] - [ -0.0003557300000000, 0.0000790100000000, -0.0002683000000000 ] - [ -0.0002514400000000, -0.0000958700000000, 0.0005316000000000 ] - [ -0.0000823400000000, -0.0005420300000000, 0.0001277800000000 ] - [ 0.0000237400000000, 0.0024500500000000, 0.0002089000000000 ] - [ -0.0001994400000000, 0.0001602900000000, 0.0001506400000000 ] - [ 0.0000159600000000, 0.0002771800000000, 0.0002943000000000 ] - [ 0.0004803600000000, 0.0004365400000000, -0.0005707200000000 ] - [ 0.0001860800000000, 0.0001072400000000, -0.0002493500000000 ] - [ -0.0004671900000000, 0.0002526400000000, 0.0004788200000000 ] - [ -0.0001843400000000, 0.0004013400000000, -0.0018066700000000 ] - [ -0.0010917900000000, -0.0021422800000000, -0.0024060400000000 ] - [ -0.0009331300000000, 0.0003697500000000, 0.0004453500000000 ] - [ -0.0026239700000000, -0.0027038500000000, 0.0007038500000000 ] - [ -0.0001676100000000, -0.0002082400000000, 0.0004430900000000 ] - [ -0.0014432400000000, -0.0006930900000000, 0.0011110800000000 ] - [ 0.0001019000000000, 0.0000776600000000, 0.0000126000000000 ] - [ -0.0024570400000000, 0.0122821300000000, -0.0007220700000000 ] - [ -0.0009079300000000, -0.0021709900000000, -0.0002422000000000 ] - [ 0.0001357600000000, 0.0001289700000000, 0.0001392800000000 ] - [ -0.0003127400000000, 0.0004945000000000, -0.0000713000000000 ] - [ 0.3184852500000000, -0.1296955100000000, 0.0141381700000000 ] - [ -0.0003631100000000, -0.0004178300000000, -0.0005596600000000 ] - [ -0.0000358900000000, 0.0000254600000000, 0.0001888400000000 ] - [ -0.0098546900000000, -0.0012382100000000, 0.0014747400000000 ] - [ -0.0001852600000000, -0.0000693500000000, -0.0002798100000000 ] - [ -0.0001552700000000, -0.0001190200000000, -0.0004522300000000 ] - [ -0.0019524700000000, 0.0003141900000000, -0.0012591100000000 ] - [ 0.0004964100000000, 0.0001097800000000, 0.0000326500000000 ] - [ 0.0004471900000000, 0.0001914600000000, 0.0001186100000000 ] - [ 0.0006291800000000, -0.0001316100000000, 0.0008842200000000 ] - [ 0.0064563200000000, 0.0027641000000000, -0.0017053200000000 ] - [ 0.0036609800000000, -0.0000629000000000, 0.0002012100000000 ] - [ -0.0001072000000000, 0.0008112700000000, -0.0001329800000000 ] - [ -0.0005109500000000, 0.0001784600000000, -0.0006437200000000 ] - [ 0.0000753100000000, 0.0006749800000000, -0.0002674100000000 ] - [ -0.0115956800000000, -0.0034544800000000, -0.0004196800000000 ] - [ 0.0001187800000000, -0.0000570900000000, 0.0000803700000000 ] - [ -0.0051016200000000, 0.0353711800000000, -0.0005809100000000 ] - [ -0.0007098900000000, -0.0000474500000000, -0.0000144800000000 ] - [ -0.0021728400000000, 0.0012548300000000, 0.0000290500000000 ] - [ -0.0003962400000000, 0.0000487200000000, -0.0001751900000000 ] - [ -0.0000075400000000, -0.0004100600000000, -0.0003259700000000 ] - [ -0.0003694200000000, 0.0002588200000000, 0.0002023800000000 ] - [ 0.0002176900000000, 0.0006449800000000, 0.0002116900000000 ] - [ 0.0005152300000000, 0.0001499400000000, -0.0001015900000000 ] - [ -0.0001588100000000, -0.0000826200000000, 0.0000357400000000 ] - [ -0.0709243800000000, 0.0029528200000000, -0.0057007200000000 ] - [ -0.0012476200000000, -0.0016478700000000, -0.0002744400000000 ] - [ 0.0003630400000000, -0.0050264600000000, -0.0047588400000000 ] - [ 0.0004891100000000, -0.0014898800000000, -0.0028321900000000 ] - [ -0.0001141000000000, 0.0000194500000000, -0.0002810700000000 ] - [ 0.0004785900000000, -0.0003817000000000, 0.0010278500000000 ] - [ 0.0002333500000000, 0.0004629300000000, -0.0001769800000000 ] - [ -0.0002887600000000, 0.0000371400000000, 0.0001562300000000 ] - [ -0.0001450100000000, 0.0001726500000000, 0.0001766000000000 ] - [ -0.0012085000000000, -0.0010838000000000, 0.0005101700000000 ] - [ 0.0002437300000000, 0.0000043500000000, 0.0001763400000000 ] - [ 0.0001939200000000, -0.0000553700000000, -0.0003347900000000 ] - [ 0.0002777800000000, 0.0001255800000000, -0.0001335500000000 ] - [ 0.0009136500000000, 0.0004620400000000, -0.0002993200000000 ] - [ -0.0046099600000000, 0.0015535800000000, 0.0010997400000000 ] - [ -0.0000805400000000, 0.0003138300000000, -0.0000334500000000 ] - [ 0.0008996800000000, -0.0005394100000000, -0.0014579700000000 ] - [ 0.0013038100000000, -0.0022264700000000, -0.0024038600000000 ] - [ -0.0013888100000000, 0.0008896500000000, 0.0007024700000000 ] - [ -0.0018068200000000, 0.0006869700000000, 0.0047127300000000 ] - [ 0.0000522800000000, -0.0000470000000000, -0.0002975600000000 ] - [ -0.0004215900000000, 0.0025738100000000, -0.0002194800000000 ] - [ 0.0007037900000000, -0.0000578300000000, -0.0000097000000000 ] - [ -0.0004539400000000, 0.0003395000000000, 0.0000394300000000 ] - [ 0.0002101200000000, -0.0000141100000000, -0.0002167600000000 ] - [ -0.0007551200000000, 0.0013623200000000, -0.0001390500000000 ] - [ -0.0025553000000000, 0.0011310300000000, -0.0047691600000000 ] - [ 0.0000173100000000, -0.0001522300000000, 0.0000772600000000 ] - [ -0.0012730800000000, -0.0003847000000000, -0.0021908100000000 ]- atom: 122 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000794900000000, -0.0000329400000000, -0.0001408900000000 ] - [ -0.0001926200000000, 0.0004260600000000, -0.0005127200000000 ] - [ 0.0003747200000000, -0.0006564100000000, -0.0001859100000000 ] - [ -0.0000446900000000, -0.0012605500000000, 0.0006577800000000 ] - [ 0.0002680100000000, -0.0012680100000000, 0.0018174000000000 ] - [ -0.0001662000000000, -0.0004842000000000, -0.0003680900000000 ] - [ -0.0003967000000000, 0.0003051000000000, 0.0003744400000000 ] - [ 0.0004032400000000, -0.0003353800000000, 0.0001235000000000 ] - [ -0.0001310400000000, -0.0009634000000000, -0.0005746500000000 ] - [ -0.0002159000000000, -0.0003827200000000, 0.0005297300000000 ] - [ 0.0004503600000000, -0.0000504200000000, -0.0005050700000000 ] - [ 0.0004765400000000, -0.0005124200000000, 0.0007197600000000 ] - [ 0.0001785000000000, 0.0012125700000000, -0.0000302800000000 ] - [ -0.0003559500000000, -0.0002030900000000, 0.0003263500000000 ] - [ 0.0001945900000000, -0.0010444100000000, -0.0018556300000000 ] - [ -0.0017773500000000, 0.0040833000000000, 0.0024719300000000 ] - [ 0.0000300900000000, -0.0005091000000000, 0.0001987200000000 ] - [ -0.0004850100000000, -0.0008847200000000, 0.0000216400000000 ] - [ -0.0004949000000000, 0.0015361000000000, -0.0001262900000000 ] - [ 0.0002135300000000, -0.0003466100000000, -0.0002516700000000 ] - [ 0.0003332200000000, 0.0010417000000000, 0.0000485100000000 ] - [ 0.0001144800000000, 0.0000500100000000, -0.0004775800000000 ] - [ -0.0002832900000000, -0.0005123500000000, 0.0000546100000000 ] - [ 0.0002426200000000, -0.0004764200000000, 0.0003361300000000 ] - [ 0.0001756500000000, 0.0003176300000000, -0.0005274600000000 ] - [ -0.0000722000000000, 0.0002207000000000, 0.0017458100000000 ] - [ -0.0002697300000000, -0.0019000700000000, 0.0002645600000000 ] - [ -0.0002599700000000, -0.0008668200000000, -0.0007057100000000 ] - [ 0.0116182800000000, 0.0014903300000000, -0.0000388100000000 ] - [ 0.0001032100000000, -0.0009262700000000, -0.0004663700000000 ] - [ -0.0001134600000000, 0.0012750600000000, 0.0005842300000000 ] - [ 0.0000036800000000, 0.0010637000000000, -0.0002184700000000 ] - [ -0.0000589800000000, 0.0049187400000000, 0.0012093500000000 ] - [ -0.0161597400000000, -0.0105690500000000, -0.0007526800000000 ] - [ 0.0029573700000000, 0.0011905700000000, -0.0002154600000000 ] - [ -0.0032244800000000, 0.0051254500000000, -0.0007803300000000 ] - [ 0.0003045200000000, -0.0021168800000000, 0.0001552300000000 ] - [ 0.0001719400000000, 0.0017397300000000, -0.0000734900000000 ] - [ -0.0000859900000000, -0.0009445200000000, 0.0001634500000000 ] - [ 0.0005648000000000, 0.0023679600000000, -0.0001286000000000 ] - [ -0.0000170900000000, -0.0007783200000000, 0.0001227200000000 ] - [ -0.0003193700000000, -0.0028275700000000, 0.0006211000000000 ] - [ -0.0005478300000000, -0.0025585300000000, 0.0003815100000000 ] - [ 0.0024158600000000, 0.0132356700000000, 0.0009149500000000 ] - [ -0.0000350500000000, -0.0015172200000000, 0.0000937300000000 ] - [ 0.0001732600000000, -0.0020030800000000, -0.0007285500000000 ] - [ 0.0002167200000000, -0.0035481600000000, -0.0001279200000000 ] - [ 0.0002177700000000, -0.0038256900000000, 0.0005670200000000 ] - [ -0.0033349900000000, 0.0016737000000000, 0.0001684600000000 ] - [ -0.0001022900000000, 0.0015023900000000, 0.0000618200000000 ] - [ -0.0003183200000000, -0.0005578700000000, 0.0001926700000000 ] - [ 0.0008071500000000, -0.0005466800000000, 0.0007854100000000 ] - [ 0.0001899800000000, -0.0004339100000000, -0.0003250300000000 ] - [ -0.0001532200000000, 0.0015386000000000, -0.0000736500000000 ] - [ -0.0009264300000000, -0.0030763000000000, -0.0001149700000000 ] - [ 0.0005965300000000, -0.0000206800000000, 0.0004562500000000 ] - [ 0.0014494700000000, -0.0014048000000000, -0.0002591800000000 ] - [ -0.0007450100000000, 0.0041414300000000, -0.0014838800000000 ] - [ -0.0000663300000000, -0.0006474200000000, -0.0000789100000000 ] - [ 0.0000671100000000, -0.0009775700000000, 0.0001370500000000 ] - [ 0.0003178100000000, -0.0004432600000000, -0.0009638300000000 ] - [ 0.0008228800000000, 0.0011129600000000, -0.0021969100000000 ] - [ 0.0006724000000000, -0.0038458700000000, -0.0003528400000000 ] - [ -0.0001156600000000, -0.0018702000000000, -0.0004582600000000 ] - [ -0.0022022900000000, -0.0015513700000000, 0.0029792900000000 ] - [ 0.0006395000000000, -0.0010454700000000, 0.0001694800000000 ] - [ 0.0001749800000000, -0.0008687300000000, -0.0005938700000000 ] - [ -0.0003722000000000, -0.0001820900000000, -0.0002060800000000 ] - [ -0.0039704500000000, 0.0016550100000000, -0.0031473300000000 ] - [ 0.0009248200000000, 0.0013938400000000, -0.0008095000000000 ] - [ -0.0008402200000000, -0.0005343900000000, -0.0001800600000000 ] - [ -0.0000121600000000, 0.0006386400000000, -0.0000340700000000 ] - [ -0.0004787800000000, -0.0012182900000000, 0.0009989600000000 ] - [ -0.0018767400000000, 0.0025687200000000, 0.0044905000000000 ] - [ -0.0046499900000000, 0.0017563900000000, -0.0050492700000000 ] - [ 0.0007967100000000, 0.0008025000000000, 0.0020494200000000 ] - [ -0.0824188500000000, 0.1050003600000000, -0.0055202700000000 ] - [ 0.0000695200000000, 0.0000129900000000, -0.0000810800000000 ] - [ -0.0000720200000000, -0.0020710200000000, 0.0000677400000000 ] - [ -0.0003168600000000, -0.0004241900000000, -0.0000843300000000 ] - [ 0.0004510900000000, 0.0003471100000000, -0.0000396900000000 ] - [ -0.0001722700000000, 0.0003560000000000, -0.0001162300000000 ] - [ -0.0010999700000000, -0.0014775300000000, 0.0003594100000000 ] - [ -0.0002278000000000, 0.0003434900000000, -0.0000528000000000 ] - [ 0.0000837400000000, 0.0007088600000000, 0.0004497800000000 ] - [ 0.0027167100000000, 0.0030567400000000, 0.0083423000000000 ] - [ 0.0018276900000000, -0.0024918900000000, -0.0011081400000000 ] - [ -0.0015034900000000, -0.0000856100000000, -0.0012651400000000 ] - [ 0.0020029100000000, 0.0001283300000000, -0.0057289200000000 ] - [ 0.0004865700000000, 0.0031531100000000, 0.0004985600000000 ] - [ 0.0002029600000000, 0.0006754200000000, -0.0002121700000000 ] - [ 0.0000026000000000, 0.0005504100000000, 0.0001964600000000 ] - [ 0.0021385800000000, 0.0001755000000000, -0.0034951600000000 ] - [ 0.0000517600000000, 0.0011615600000000, -0.0001743100000000 ] - [ -0.0000769100000000, 0.0002695400000000, 0.0002171000000000 ] - [ 0.0001202800000000, 0.0000928400000000, -0.0001966800000000 ] - [ 0.0001602700000000, 0.0007927400000000, 0.0001405200000000 ] - [ 0.0000198700000000, -0.0019582600000000, -0.0000928300000000 ] - [ -0.0001237000000000, 0.0004609500000000, 0.0006709200000000 ] - [ -0.0003647400000000, 0.0009646600000000, -0.0000334800000000 ] - [ -0.0000995600000000, 0.0007952900000000, 0.0003330100000000 ] - [ -0.0003572900000000, 0.0005790600000000, 0.0000571200000000 ] - [ -0.0000163500000000, -0.0007386700000000, 0.0006008800000000 ] - [ -0.0000173800000000, -0.0014334800000000, 0.0001595000000000 ] - [ -0.0018046000000000, 0.0025439300000000, 0.0004050600000000 ] - [ -0.0006520100000000, 0.0007679600000000, 0.0003854500000000 ] - [ -0.0001815000000000, 0.0008585200000000, 0.0005838900000000 ] - [ 0.0000340100000000, 0.0011468400000000, -0.0010536200000000 ] - [ -0.0003756500000000, 0.0007832500000000, -0.0002756800000000 ] - [ -0.0001945700000000, 0.0010966400000000, 0.0010646600000000 ] - [ -0.0005008300000000, -0.0004930300000000, -0.0004496000000000 ] - [ 0.0019455500000000, -0.0029083200000000, 0.0005761000000000 ] - [ -0.0005976300000000, -0.0002036800000000, 0.0007392800000000 ] - [ 0.0004581800000000, -0.0021176300000000, 0.0007775000000000 ] - [ -0.0003619600000000, 0.0002262600000000, 0.0007405300000000 ] - [ -0.0008402700000000, -0.0012138300000000, 0.0008123900000000 ] - [ 0.0004800800000000, 0.0008352600000000, -0.0000811400000000 ] - [ -0.0068677800000000, 0.0074289800000000, -0.0015747600000000 ] - [ 0.0029588700000000, 0.0032177900000000, 0.0004103000000000 ] - [ 0.0000740000000000, 0.0006886800000000, 0.0000815700000000 ] - [ -0.0002064300000000, 0.0007682700000000, -0.0000542400000000 ] - [ 0.1276066300000000, -0.1619302300000000, 0.0041624100000000 ] - [ -0.0002229100000000, -0.0006358900000000, -0.0002758800000000 ] - [ -0.0000090400000000, 0.0001188500000000, 0.0000681500000000 ] - [ -0.0010591900000000, -0.0031950200000000, -0.0002915800000000 ] - [ 0.0001533400000000, 0.0009090200000000, 0.0001193500000000 ] - [ -0.0000838900000000, -0.0006613300000000, -0.0002770800000000 ] - [ -0.0003826700000000, -0.0006090600000000, -0.0006992800000000 ] - [ 0.0007048300000000, 0.0006523000000000, 0.0001662900000000 ] - [ 0.0004421400000000, -0.0007588400000000, -0.0002455500000000 ] - [ -0.0003205300000000, -0.0007283900000000, -0.0019662800000000 ] - [ 0.0000022200000000, 0.0020762200000000, -0.0089986600000000 ] - [ -0.0022555600000000, 0.0039980100000000, -0.0003231700000000 ] - [ 0.0000514000000000, 0.0024197600000000, -0.0001113900000000 ] - [ -0.0001626700000000, -0.0007466400000000, 0.0000625400000000 ] - [ 0.0000835300000000, 0.0009647700000000, -0.0003293200000000 ] - [ 0.0056044000000000, -0.0044896700000000, 0.0009905000000000 ] - [ 0.0004285500000000, 0.0006732700000000, -0.0007479200000000 ] - [ -0.0440971000000000, 0.0457643300000000, -0.0013020300000000 ] - [ 0.0000388400000000, 0.0010880700000000, 0.0001569200000000 ] - [ -0.0010772600000000, 0.0008488200000000, 0.0000574300000000 ] - [ -0.0000080500000000, 0.0007575700000000, -0.0000533400000000 ] - [ 0.0005252800000000, 0.0027362000000000, 0.0000451800000000 ] - [ -0.0006444500000000, 0.0010321200000000, 0.0001895300000000 ] - [ 0.0000874200000000, 0.0023033500000000, 0.0001887100000000 ] - [ 0.0007166500000000, 0.0009005400000000, -0.0000473100000000 ] - [ 0.0000924200000000, 0.0004122400000000, 0.0002158000000000 ] - [ 0.0022092500000000, -0.0192285000000000, 0.0011088000000000 ] - [ 0.0049173500000000, 0.0025687800000000, 0.0015340300000000 ] - [ 0.0054379200000000, 0.0001149500000000, 0.0099184500000000 ] - [ 0.0009255700000000, 0.0001744600000000, 0.0019860100000000 ] - [ 0.0003056400000000, 0.0008556600000000, -0.0010649300000000 ] - [ 0.0002194300000000, -0.0006602700000000, 0.0006954900000000 ] - [ -0.0000977300000000, -0.0003909600000000, -0.0002405300000000 ] - [ 0.0002998300000000, 0.0007540000000000, -0.0001524700000000 ] - [ -0.0000826800000000, 0.0008013800000000, 0.0002223700000000 ] - [ 0.0014399000000000, 0.0002359400000000, -0.0001101600000000 ] - [ 0.0003506500000000, 0.0004312800000000, -0.0001600800000000 ] - [ -0.0000604900000000, 0.0004113700000000, -0.0004094700000000 ] - [ 0.0003778500000000, 0.0014336600000000, -0.0000487800000000 ] - [ 0.0009289600000000, 0.0008253900000000, -0.0044178500000000 ] - [ -0.0009456300000000, -0.0034265300000000, 0.0010775200000000 ] - [ -0.0001408500000000, 0.0006346300000000, -0.0000349700000000 ] - [ 0.0008359100000000, 0.0000856900000000, 0.0028899600000000 ] - [ 0.0026776100000000, -0.0023692800000000, 0.0001092000000000 ] - [ -0.0003997600000000, -0.0002321000000000, -0.0004470700000000 ] - [ -0.0014346700000000, -0.0007738800000000, 0.0036307300000000 ] - [ 0.0002993600000000, -0.0010068400000000, -0.0000327700000000 ] - [ -0.0014269800000000, 0.0027626700000000, -0.0003062600000000 ] - [ 0.0003546700000000, 0.0012560300000000, -0.0001185200000000 ] - [ -0.0004855900000000, 0.0009265300000000, 0.0000278100000000 ] - [ 0.0001113000000000, 0.0007783600000000, 0.0000196800000000 ] - [ -0.0007053800000000, 0.0021263000000000, -0.0002704400000000 ] - [ -0.0019285600000000, -0.0015090400000000, -0.0030674500000000 ] - [ -0.0003158100000000, 0.0007888900000000, -0.0000031200000000 ] - [ -0.0004263900000000, -0.0014935100000000, -0.0009421800000000 ]- atom: 122 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002707200000000, -0.0001887200000000, 0.0003282200000000 ] - [ 0.0000628600000000, 0.0000248100000000, 0.0004593200000000 ] - [ 0.0002435700000000, 0.0006490800000000, 0.0000426400000000 ] - [ 0.0001369900000000, 0.0005966800000000, -0.0003861100000000 ] - [ -0.0003599500000000, 0.0006058400000000, -0.0020921600000000 ] - [ -0.0000243000000000, 0.0002694200000000, 0.0001803900000000 ] - [ 0.0002061100000000, -0.0000800000000000, -0.0005631800000000 ] - [ 0.0004685800000000, 0.0006758300000000, 0.0000982900000000 ] - [ 0.0001916600000000, 0.0008571500000000, 0.0004629600000000 ] - [ 0.0001555200000000, 0.0004955200000000, -0.0004121200000000 ] - [ -0.0003621700000000, 0.0007169900000000, 0.0007859500000000 ] - [ -0.0003480100000000, 0.0000658300000000, -0.0006670900000000 ] - [ 0.0006860500000000, -0.0015634700000000, 0.0002650300000000 ] - [ 0.0004193400000000, 0.0003114500000000, -0.0004458500000000 ] - [ -0.0002559600000000, 0.0009408200000000, 0.0019700800000000 ] - [ 0.0011821100000000, -0.0040909800000000, -0.0023575100000000 ] - [ -0.0001611100000000, 0.0000683000000000, -0.0002523200000000 ] - [ -0.0003871200000000, 0.0005477900000000, -0.0002417600000000 ] - [ -0.0003773500000000, -0.0012002800000000, -0.0000903200000000 ] - [ -0.0000831900000000, 0.0007908100000000, 0.0003079700000000 ] - [ 0.0002852500000000, -0.0010339300000000, -0.0001957500000000 ] - [ -0.0002061600000000, 0.0006206700000000, 0.0001998100000000 ] - [ -0.0003347300000000, 0.0005234100000000, 0.0000877600000000 ] - [ -0.0000532300000000, 0.0006952300000000, -0.0001510800000000 ] - [ 0.0003348300000000, -0.0006510700000000, 0.0014402500000000 ] - [ 0.0001559600000000, -0.0007057100000000, -0.0014734100000000 ] - [ -0.0001206600000000, 0.0008789500000000, 0.0004008100000000 ] - [ -0.0002503500000000, 0.0005478700000000, -0.0001997300000000 ] - [ -0.0116874000000000, -0.0009347000000000, -0.0002401400000000 ] - [ 0.0000791600000000, 0.0012470600000000, -0.0003904100000000 ] - [ -0.0000693500000000, -0.0009552900000000, 0.0002728300000000 ] - [ 0.0001092300000000, -0.0006895200000000, 0.0002952600000000 ] - [ -0.0003843000000000, -0.0039282500000000, -0.0006047000000000 ] - [ 0.0156663200000000, 0.0112271500000000, -0.0001673300000000 ] - [ -0.0030932700000000, -0.0015873700000000, 0.0001413700000000 ] - [ 0.0029424000000000, -0.0065365300000000, 0.0000251800000000 ] - [ 0.0000701900000000, 0.0023095800000000, -0.0002549600000000 ] - [ 0.0002155200000000, -0.0027697400000000, -0.0006011200000000 ] - [ 0.0000024900000000, 0.0004724600000000, -0.0004434300000000 ] - [ -0.0001885400000000, -0.0025571500000000, 0.0000341700000000 ] - [ -0.0000953200000000, 0.0011489900000000, -0.0001988800000000 ] - [ 0.0008367800000000, 0.0031684400000000, 0.0002815800000000 ] - [ 0.0006550600000000, 0.0021914900000000, -0.0003042000000000 ] - [ -0.0027277800000000, -0.0131719300000000, -0.0007557200000000 ] - [ -0.0003390600000000, 0.0013351200000000, 0.0000104400000000 ] - [ 0.0002159000000000, 0.0030338000000000, 0.0000585800000000 ] - [ -0.0001375300000000, 0.0040472800000000, 0.0004124900000000 ] - [ -0.0003982600000000, 0.0035096000000000, 0.0002904400000000 ] - [ 0.0030439000000000, -0.0021881900000000, -0.0002181100000000 ] - [ 0.0001674400000000, -0.0011297000000000, 0.0001015100000000 ] - [ 0.0007575200000000, 0.0006388400000000, -0.0008963900000000 ] - [ -0.0005149700000000, 0.0004047700000000, -0.0002398800000000 ] - [ 0.0002238100000000, 0.0011103200000000, 0.0000966000000000 ] - [ -0.0002609200000000, -0.0008695700000000, 0.0003035100000000 ] - [ 0.0012596700000000, 0.0025911400000000, 0.0001619400000000 ] - [ -0.0002938400000000, -0.0007627000000000, -0.0009239000000000 ] - [ -0.0014170000000000, 0.0020140800000000, 0.0000442700000000 ] - [ 0.0011751600000000, -0.0048540400000000, 0.0012621800000000 ] - [ 0.0000017700000000, 0.0010301700000000, -0.0000837700000000 ] - [ -0.0000956500000000, 0.0003734300000000, 0.0000773100000000 ] - [ -0.0006125900000000, 0.0005891300000000, 0.0004267300000000 ] - [ -0.0005291800000000, -0.0009691200000000, 0.0027466500000000 ] - [ -0.0007196600000000, 0.0044586900000000, 0.0005740900000000 ] - [ -0.0002986000000000, 0.0012008900000000, 0.0006889200000000 ] - [ 0.0018827200000000, 0.0013989400000000, -0.0035378900000000 ] - [ -0.0003857900000000, 0.0007861800000000, -0.0003135500000000 ] - [ -0.0004326800000000, 0.0011337600000000, 0.0007327600000000 ] - [ 0.0006652600000000, 0.0009520200000000, -0.0002496700000000 ] - [ 0.0036907700000000, -0.0008828300000000, 0.0036306400000000 ] - [ -0.0006749700000000, -0.0011482700000000, 0.0006701900000000 ] - [ 0.0004058400000000, 0.0004590300000000, 0.0008767900000000 ] - [ 0.0003426300000000, -0.0001561800000000, 0.0000821200000000 ] - [ 0.0001898300000000, 0.0004514400000000, -0.0005406500000000 ] - [ 0.0014401300000000, -0.0024886400000000, -0.0037983400000000 ] - [ 0.0051310100000000, -0.0018603900000000, 0.0043726800000000 ] - [ -0.0010539500000000, -0.0010615900000000, -0.0019219100000000 ] - [ 0.0784665500000000, -0.1046125000000000, 0.0051329100000000 ] - [ -0.0000404100000000, -0.0006120400000000, -0.0001334400000000 ] - [ 0.0001374200000000, 0.0016996300000000, 0.0000952400000000 ] - [ -0.0000141500000000, 0.0009018600000000, 0.0000364000000000 ] - [ 0.0000722700000000, 0.0004359500000000, 0.0001007000000000 ] - [ 0.0000397500000000, -0.0003749900000000, 0.0009686700000000 ] - [ 0.0005481200000000, 0.0012955600000000, 0.0001091600000000 ] - [ -0.0000671500000000, 0.0004052400000000, -0.0001900800000000 ] - [ -0.0000042800000000, -0.0007839700000000, 0.0002133600000000 ] - [ -0.0022650300000000, -0.0029970700000000, -0.0082469300000000 ] - [ -0.0013702500000000, 0.0024066100000000, 0.0008673700000000 ] - [ 0.0009403300000000, 0.0001914700000000, 0.0010400600000000 ] - [ -0.0023874300000000, -0.0002224400000000, 0.0060987600000000 ] - [ 0.0000286600000000, -0.0039319000000000, -0.0004341300000000 ] - [ 0.0000443800000000, -0.0005403800000000, 0.0005036500000000 ] - [ -0.0002537500000000, 0.0005167700000000, 0.0001528500000000 ] - [ -0.0026356000000000, 0.0003507400000000, 0.0043901900000000 ] - [ 0.0005264700000000, -0.0011940700000000, 0.0007697700000000 ] - [ -0.0000738800000000, -0.0014610600000000, 0.0001175600000000 ] - [ 0.0001046200000000, -0.0012019900000000, -0.0001704200000000 ] - [ 0.0001341900000000, -0.0000366300000000, 0.0001026400000000 ] - [ 0.0001316700000000, 0.0007732700000000, -0.0002440400000000 ] - [ -0.0002594900000000, -0.0003853100000000, -0.0002883700000000 ] - [ -0.0000393800000000, -0.0000906000000000, -0.0000168600000000 ] - [ 0.0002337300000000, -0.0007804400000000, -0.0011938300000000 ] - [ -0.0002191400000000, -0.0005525500000000, -0.0006458400000000 ] - [ 0.0005955900000000, 0.0007744100000000, -0.0000068100000000 ] - [ -0.0002079600000000, 0.0003312200000000, 0.0002077500000000 ] - [ 0.0020737400000000, -0.0036300300000000, -0.0007599000000000 ] - [ 0.0003892500000000, -0.0006565900000000, -0.0001834200000000 ] - [ -0.0002854300000000, -0.0007882300000000, -0.0007725400000000 ] - [ 0.0004473200000000, -0.0006447500000000, 0.0002111600000000 ] - [ 0.0006419500000000, -0.0008980200000000, 0.0000698000000000 ] - [ -0.0001331000000000, -0.0005494300000000, -0.0004729000000000 ] - [ 0.0001705000000000, -0.0000629800000000, 0.0010471500000000 ] - [ -0.0014046600000000, 0.0028341400000000, -0.0003765400000000 ] - [ 0.0009293000000000, 0.0007640200000000, -0.0013364000000000 ] - [ -0.0003804600000000, 0.0022333600000000, -0.0001186300000000 ] - [ -0.0001188800000000, -0.0007303600000000, 0.0000971200000000 ] - [ 0.0011050400000000, 0.0013266500000000, -0.0010199500000000 ] - [ 0.0000644300000000, -0.0007548000000000, 0.0002855000000000 ] - [ 0.0073066100000000, -0.0074231500000000, 0.0019380400000000 ] - [ -0.0032225000000000, -0.0039496300000000, -0.0006458100000000 ] - [ 0.0002428800000000, -0.0007879700000000, 0.0002521300000000 ] - [ -0.0003174000000000, 0.0000196600000000, -0.0000063500000000 ] - [ -0.1233331100000000, 0.1611903800000000, -0.0037747000000000 ] - [ -0.0000946200000000, 0.0005334400000000, -0.0000581800000000 ] - [ 0.0002092800000000, 0.0002054500000000, 0.0000525700000000 ] - [ 0.0006537000000000, 0.0023120400000000, 0.0002428100000000 ] - [ -0.0004047600000000, -0.0010487300000000, -0.0004167900000000 ] - [ 0.0000048400000000, 0.0005838600000000, -0.0003843500000000 ] - [ 0.0001269600000000, 0.0007526900000000, 0.0004022100000000 ] - [ 0.0002457300000000, -0.0005014000000000, -0.0000400400000000 ] - [ 0.0004951000000000, 0.0013281200000000, 0.0001191700000000 ] - [ -0.0001461100000000, 0.0006545200000000, 0.0017779300000000 ] - [ -0.0002428000000000, -0.0021510500000000, 0.0092714900000000 ] - [ 0.0020909200000000, -0.0043602400000000, 0.0002038500000000 ] - [ 0.0000999900000000, -0.0012342300000000, -0.0002250700000000 ] - [ -0.0007896300000000, 0.0009038600000000, -0.0001906600000000 ] - [ 0.0001673500000000, 0.0001085900000000, -0.0000198100000000 ] - [ -0.0047131100000000, 0.0043093100000000, -0.0008759500000000 ] - [ -0.0000470700000000, -0.0007528200000000, 0.0003724800000000 ] - [ 0.0435177100000000, -0.0439146000000000, 0.0008999600000000 ] - [ -0.0009910000000000, -0.0012430800000000, -0.0002840900000000 ] - [ 0.0008284100000000, -0.0019281300000000, 0.0002926200000000 ] - [ -0.0005388800000000, -0.0008412400000000, -0.0001542400000000 ] - [ -0.0006043900000000, -0.0026581800000000, -0.0007080800000000 ] - [ 0.0000789100000000, -0.0008367600000000, 0.0002743400000000 ] - [ -0.0003137900000000, -0.0012048100000000, 0.0001785200000000 ] - [ -0.0002607600000000, -0.0008180400000000, -0.0001952000000000 ] - [ -0.0003275500000000, -0.0005622500000000, 0.0002166000000000 ] - [ -0.0026568200000000, 0.0186376200000000, -0.0009286700000000 ] - [ -0.0055132500000000, -0.0033935300000000, -0.0016221200000000 ] - [ -0.0051962600000000, -0.0002661300000000, -0.0095972800000000 ] - [ -0.0006924000000000, -0.0003299000000000, -0.0024311500000000 ] - [ -0.0000719200000000, -0.0007085800000000, 0.0006294900000000 ] - [ 0.0002609100000000, 0.0001554000000000, -0.0015394300000000 ] - [ 0.0005046700000000, 0.0012718000000000, 0.0002931400000000 ] - [ -0.0007601000000000, -0.0008415600000000, 0.0003995200000000 ] - [ -0.0002092700000000, -0.0005822000000000, 0.0001112300000000 ] - [ -0.0011622100000000, -0.0009828900000000, 0.0003557000000000 ] - [ 0.0001166500000000, -0.0005033600000000, 0.0003548800000000 ] - [ 0.0003902900000000, -0.0009608000000000, -0.0001778900000000 ] - [ -0.0000882200000000, -0.0016597700000000, -0.0002854400000000 ] - [ -0.0007925100000000, -0.0008436700000000, 0.0035800600000000 ] - [ 0.0007942700000000, 0.0046436400000000, -0.0007408100000000 ] - [ -0.0000579300000000, -0.0003054600000000, -0.0000855800000000 ] - [ -0.0004605600000000, -0.0000037300000000, -0.0032873100000000 ] - [ -0.0031615500000000, 0.0024836600000000, 0.0001492900000000 ] - [ 0.0001655100000000, 0.0003933500000000, 0.0008896100000000 ] - [ 0.0013032800000000, 0.0007814900000000, -0.0027802900000000 ] - [ -0.0000102500000000, 0.0012325100000000, -0.0003019100000000 ] - [ 0.0016219300000000, -0.0030916500000000, 0.0004257100000000 ] - [ 0.0005814300000000, -0.0018254500000000, -0.0000088200000000 ] - [ -0.0004493700000000, -0.0003638800000000, 0.0001003000000000 ] - [ 0.0004576300000000, -0.0009781500000000, -0.0004799900000000 ] - [ 0.0003884700000000, -0.0020303500000000, -0.0000627000000000 ] - [ 0.0013563600000000, 0.0014664000000000, 0.0024881000000000 ] - [ 0.0007237600000000, -0.0016690600000000, 0.0000545200000000 ] - [ 0.0009965600000000, 0.0016905700000000, 0.0004882800000000 ]- atom: 122 displacement: [ -0.0035230240541542, 0.0000000000000000, 0.0093588621911988 ] forces: - [ 0.0000325700000000, -0.0001891900000000, -0.0001089800000000 ] - [ -0.0000373000000000, 0.0001493000000000, 0.0002938100000000 ] - [ 0.0003237600000000, 0.0000049100000000, -0.0000537500000000 ] - [ 0.0000289600000000, 0.0001155200000000, 0.0001800400000000 ] - [ -0.0007135400000000, -0.0000526200000000, 0.0001749800000000 ] - [ -0.0001093900000000, -0.0002720400000000, -0.0001405700000000 ] - [ 0.0006043400000000, 0.0004847400000000, -0.0000123600000000 ] - [ 0.0004124400000000, 0.0001486300000000, 0.0000711900000000 ] - [ -0.0001510400000000, -0.0004160700000000, 0.0000415600000000 ] - [ -0.0000242200000000, 0.0004588000000000, -0.0001332900000000 ] - [ 0.0001859000000000, -0.0002979100000000, -0.0003547500000000 ] - [ -0.0003354800000000, 0.0002510400000000, -0.0004532200000000 ] - [ 0.0013863300000000, -0.0001168300000000, -0.0002194900000000 ] - [ 0.0002786500000000, 0.0002784600000000, -0.0002595600000000 ] - [ 0.0001866300000000, -0.0006866500000000, -0.0000467900000000 ] - [ -0.0070024900000000, 0.0032691800000000, 0.0098419500000000 ] - [ -0.0000510800000000, -0.0002383800000000, -0.0000621800000000 ] - [ -0.0004353400000000, -0.0001212800000000, -0.0000843000000000 ] - [ -0.0002117600000000, -0.0002145900000000, -0.0011850300000000 ] - [ 0.0001488200000000, 0.0000577400000000, 0.0000808400000000 ] - [ -0.0002843300000000, 0.0001425500000000, -0.0007785500000000 ] - [ 0.0000078800000000, 0.0002250000000000, -0.0002147000000000 ] - [ -0.0003080800000000, 0.0000426100000000, 0.0000355900000000 ] - [ 0.0001419200000000, 0.0001705700000000, 0.0001619100000000 ] - [ 0.0001285800000000, -0.0001306700000000, -0.0010011700000000 ] - [ 0.0004450200000000, -0.0003226400000000, -0.0023256900000000 ] - [ -0.0001902200000000, -0.0004565000000000, 0.0002444600000000 ] - [ -0.0001360900000000, -0.0001135400000000, -0.0007456200000000 ] - [ 0.0025851400000000, -0.0020100100000000, -0.0001830000000000 ] - [ 0.0001697200000000, 0.0001824400000000, -0.0007570600000000 ] - [ 0.0000561100000000, 0.0001592700000000, -0.0013675200000000 ] - [ 0.0000201800000000, 0.0000147400000000, -0.0008652000000000 ] - [ 0.0023412400000000, 0.0019817400000000, 0.0036135400000000 ] - [ -0.0019962100000000, 0.0065198800000000, 0.0082854000000000 ] - [ 0.0013017000000000, -0.0006012800000000, 0.0012199200000000 ] - [ -0.0059044100000000, -0.0012709100000000, 0.0115777800000000 ] - [ 0.0002393400000000, 0.0000737600000000, 0.0000895000000000 ] - [ 0.0018789100000000, -0.0007405800000000, -0.0020315500000000 ] - [ -0.0001415600000000, -0.0002384500000000, -0.0003345100000000 ] - [ -0.0004023100000000, -0.0001756100000000, -0.0011637300000000 ] - [ -0.0001404700000000, 0.0002832500000000, -0.0003381200000000 ] - [ 0.0003262900000000, 0.0004948600000000, 0.0007108600000000 ] - [ 0.0005392200000000, 0.0000144000000000, 0.0002134700000000 ] - [ -0.0037465600000000, 0.0009287300000000, 0.0092555500000000 ] - [ -0.0001374500000000, -0.0000443800000000, -0.0000931400000000 ] - [ 0.0001322600000000, 0.0006545300000000, -0.0001365500000000 ] - [ -0.0001686100000000, 0.0002279200000000, 0.0005194500000000 ] - [ -0.0004302600000000, -0.0002443200000000, 0.0005918900000000 ] - [ 0.0002022100000000, -0.0000434700000000, 0.0000770500000000 ] - [ 0.0000981200000000, 0.0000377300000000, -0.0001777500000000 ] - [ 0.0003123300000000, 0.0001350500000000, -0.0004414600000000 ] - [ 0.0000164100000000, -0.0000078400000000, 0.0002437900000000 ] - [ 0.0002316100000000, 0.0003156400000000, -0.0001471100000000 ] - [ -0.0002358700000000, 0.0006798400000000, -0.0002106800000000 ] - [ -0.0000862600000000, 0.0002376900000000, 0.0001779000000000 ] - [ -0.0008766300000000, 0.0003553600000000, 0.0000329700000000 ] - [ 0.0002814000000000, 0.0000833800000000, -0.0001138300000000 ] - [ 0.0033478400000000, -0.0021224500000000, 0.0000702700000000 ] - [ -0.0000410000000000, 0.0002483500000000, -0.0001009700000000 ] - [ 0.0001112100000000, -0.0002180600000000, 0.0000410000000000 ] - [ -0.0000707700000000, -0.0000182600000000, -0.0003295000000000 ] - [ 0.0002648700000000, 0.0000832400000000, -0.0002206300000000 ] - [ -0.0010562700000000, -0.0010590900000000, 0.0002261200000000 ] - [ -0.0001599400000000, -0.0002598600000000, 0.0001651000000000 ] - [ 0.0049563600000000, 0.0026046100000000, -0.0024027700000000 ] - [ 0.0000572700000000, 0.0000464800000000, 0.0000513900000000 ] - [ -0.0001305900000000, 0.0001248600000000, 0.0000922900000000 ] - [ 0.0001717000000000, 0.0003552600000000, -0.0001672400000000 ] - [ -0.0015115800000000, 0.0006763200000000, -0.0020784300000000 ] - [ 0.0008673600000000, -0.0000831700000000, -0.0006053000000000 ] - [ -0.0002764500000000, -0.0000935000000000, 0.0003741300000000 ] - [ 0.0004790600000000, 0.0003026200000000, -0.0001316000000000 ] - [ -0.0000467100000000, -0.0002297800000000, 0.0000907800000000 ] - [ -0.0003428500000000, 0.0000140100000000, -0.0026838100000000 ] - [ -0.0025896500000000, 0.0006507000000000, -0.0032955600000000 ] - [ 0.0001265900000000, 0.0002059000000000, 0.0008486300000000 ] - [ -0.0661188900000000, 0.0255056800000000, 0.0442547500000000 ] - [ -0.0002132800000000, -0.0003720100000000, -0.0001774600000000 ] - [ -0.0000020300000000, -0.0001379900000000, 0.0000999500000000 ] - [ -0.0001888600000000, 0.0002415900000000, -0.0000482100000000 ] - [ -0.0000001400000000, 0.0003098600000000, 0.0003416100000000 ] - [ 0.0000061200000000, -0.0000602700000000, 0.0004981700000000 ] - [ -0.0022804900000000, -0.0001928600000000, 0.0001854500000000 ] - [ -0.0003731700000000, 0.0003857600000000, 0.0000144600000000 ] - [ 0.0000501100000000, -0.0000643600000000, 0.0003710600000000 ] - [ 0.0038706200000000, 0.0047245400000000, 0.0016691800000000 ] - [ -0.0010924900000000, -0.0005948100000000, 0.0015533800000000 ] - [ 0.0012354300000000, -0.0011865400000000, 0.0010195800000000 ] - [ -0.0011638700000000, -0.0032357300000000, 0.0019509600000000 ] - [ 0.0007947500000000, -0.0009350900000000, -0.0002784100000000 ] - [ 0.0000395700000000, -0.0000216200000000, 0.0002640700000000 ] - [ 0.0000258500000000, 0.0006278100000000, 0.0002620600000000 ] - [ -0.0016157600000000, -0.0012342200000000, -0.0002436600000000 ] - [ 0.0003551800000000, -0.0001025800000000, 0.0001397900000000 ] - [ -0.0000877700000000, -0.0006046400000000, 0.0002254800000000 ] - [ 0.0001148200000000, -0.0006122300000000, -0.0001050600000000 ] - [ 0.0002655700000000, 0.0003960300000000, 0.0003376200000000 ] - [ 0.0001446800000000, -0.0007041700000000, 0.0003080000000000 ] - [ -0.0002189300000000, 0.0001340200000000, 0.0003137000000000 ] - [ -0.0001919000000000, 0.0004400300000000, 0.0000256000000000 ] - [ 0.0000678000000000, 0.0001511100000000, -0.0005003500000000 ] - [ -0.0002888300000000, 0.0000178800000000, -0.0002615000000000 ] - [ -0.0002496100000000, 0.0003887200000000, 0.0013413700000000 ] - [ -0.0003264600000000, -0.0004450600000000, 0.0006152900000000 ] - [ 0.0002439800000000, 0.0000079700000000, -0.0001832100000000 ] - [ -0.0001963200000000, 0.0000862300000000, 0.0001747500000000 ] - [ -0.0001924900000000, 0.0001155300000000, -0.0001714000000000 ] - [ 0.0004059000000000, 0.0001306800000000, -0.0004741700000000 ] - [ 0.0002168300000000, -0.0000742600000000, -0.0001426000000000 ] - [ -0.0002344800000000, 0.0002963400000000, 0.0002018300000000 ] - [ -0.0000660500000000, -0.0002314800000000, 0.0001705300000000 ] - [ 0.0014492100000000, -0.0001131100000000, 0.0007524400000000 ] - [ -0.0006764800000000, 0.0008345500000000, -0.0004194300000000 ] - [ -0.0006240600000000, -0.0004052900000000, -0.0000374200000000 ] - [ -0.0002869900000000, -0.0001165800000000, 0.0005430700000000 ] - [ 0.0000951900000000, 0.0000917300000000, 0.0002605400000000 ] - [ 0.0001812800000000, -0.0000416000000000, 0.0001208100000000 ] - [ -0.0001418700000000, 0.0023190700000000, -0.0029416500000000 ] - [ -0.0007232100000000, -0.0013041400000000, -0.0005452900000000 ] - [ 0.0001301900000000, -0.0001408400000000, 0.0002234000000000 ] - [ -0.0002450500000000, 0.0004193900000000, 0.0001289900000000 ] - [ 0.0963276100000000, -0.0403994900000000, -0.0553900600000000 ] - [ 0.0000567600000000, 0.0000515300000000, 0.0001754300000000 ] - [ 0.0002683300000000, 0.0001463200000000, 0.0002517200000000 ] - [ -0.0025223900000000, -0.0002780200000000, 0.0001263700000000 ] - [ -0.0000728400000000, -0.0000658900000000, -0.0002786900000000 ] - [ -0.0003570600000000, -0.0001835900000000, 0.0002094500000000 ] - [ 0.0002890100000000, -0.0001913400000000, 0.0005001500000000 ] - [ 0.0004334600000000, 0.0000767600000000, 0.0001216500000000 ] - [ 0.0003888200000000, 0.0004522000000000, 0.0005718500000000 ] - [ 0.0003346400000000, -0.0002537800000000, 0.0017117000000000 ] - [ -0.0008799400000000, -0.0086625300000000, 0.0090017200000000 ] - [ 0.0010568700000000, -0.0004570000000000, -0.0005140200000000 ] - [ 0.0000343000000000, 0.0004944400000000, -0.0002112500000000 ] - [ -0.0002540700000000, -0.0001073600000000, 0.0003714400000000 ] - [ 0.0001203300000000, 0.0004080300000000, 0.0001064500000000 ] - [ -0.0041054900000000, -0.0005734100000000, -0.0027759800000000 ] - [ 0.0001334100000000, -0.0001951600000000, -0.0002217000000000 ] - [ 0.0010082400000000, 0.0098217300000000, -0.0158489600000000 ] - [ -0.0005610400000000, -0.0001445900000000, -0.0001354500000000 ] - [ -0.0006557700000000, -0.0002215000000000, -0.0000110000000000 ] - [ -0.0003120200000000, -0.0000130400000000, -0.0001046200000000 ] - [ -0.0000404900000000, -0.0002946100000000, -0.0004237800000000 ] - [ -0.0002183800000000, -0.0000236800000000, 0.0002195700000000 ] - [ -0.0000288100000000, 0.0004898400000000, 0.0000797600000000 ] - [ 0.0003029300000000, 0.0000767500000000, -0.0001847900000000 ] - [ -0.0000693400000000, 0.0000212600000000, 0.0002969000000000 ] - [ -0.0202809800000000, 0.0003836200000000, -0.0169156900000000 ] - [ -0.0009417200000000, -0.0009551300000000, -0.0007107700000000 ] - [ 0.0045712800000000, 0.0050447300000000, 0.0034721500000000 ] - [ 0.0002345200000000, 0.0005656800000000, 0.0015080100000000 ] - [ -0.0000388700000000, -0.0001720300000000, -0.0002055400000000 ] - [ -0.0000144700000000, -0.0000846300000000, 0.0001785000000000 ] - [ -0.0000029000000000, 0.0004997700000000, 0.0006863600000000 ] - [ -0.0003380000000000, -0.0001292200000000, 0.0001789500000000 ] - [ -0.0001439800000000, 0.0000925700000000, 0.0002241700000000 ] - [ -0.0003128300000000, -0.0005599000000000, 0.0000767700000000 ] - [ 0.0001899100000000, -0.0001450300000000, 0.0002553400000000 ] - [ 0.0002408300000000, -0.0005287100000000, -0.0002398200000000 ] - [ 0.0001506000000000, -0.0001524400000000, -0.0002132400000000 ] - [ -0.0015178000000000, -0.0009759400000000, 0.0029629600000000 ] - [ -0.0002335800000000, 0.0012148800000000, -0.0012555700000000 ] - [ -0.0002364700000000, 0.0001184100000000, 0.0002002900000000 ] - [ 0.0005155700000000, 0.0001509100000000, 0.0017330000000000 ] - [ 0.0017614300000000, -0.0007878300000000, -0.0004215800000000 ] - [ -0.0000603700000000, -0.0002334300000000, -0.0003638200000000 ] - [ -0.0003666200000000, 0.0002627100000000, 0.0008954000000000 ] - [ 0.0002261100000000, 0.0001948900000000, 0.0003272300000000 ] - [ -0.0000272300000000, 0.0004436100000000, -0.0000051200000000 ] - [ 0.0005389400000000, -0.0003305200000000, -0.0001112600000000 ] - [ -0.0004571600000000, 0.0002729700000000, 0.0001168000000000 ] - [ 0.0002646500000000, -0.0001000200000000, -0.0002762000000000 ] - [ -0.0003209400000000, 0.0002940800000000, -0.0001944900000000 ] - [ -0.0008412200000000, 0.0002384800000000, -0.0018446700000000 ] - [ 0.0002002300000000, -0.0004369700000000, -0.0000436400000000 ] - [ -0.0002730900000000, -0.0002540900000000, -0.0006344800000000 ]- atom: 122 displacement: [ 0.0035230240541542, 0.0000000000000000, -0.0093588621911988 ] forces: - [ 0.0001561400000000, -0.0000235200000000, 0.0002935400000000 ] - [ -0.0000923800000000, 0.0002879100000000, -0.0003487300000000 ] - [ 0.0002903100000000, -0.0000135800000000, -0.0000925000000000 ] - [ 0.0000637700000000, -0.0007788400000000, 0.0001010300000000 ] - [ 0.0006270900000000, -0.0006134500000000, -0.0004633800000000 ] - [ -0.0000803800000000, 0.0000581800000000, -0.0000431400000000 ] - [ -0.0008006800000000, -0.0002749600000000, -0.0001773900000000 ] - [ 0.0004541600000000, 0.0001880800000000, 0.0001452000000000 ] - [ 0.0002107600000000, 0.0003138300000000, -0.0001570500000000 ] - [ -0.0000342400000000, -0.0003585500000000, 0.0002467100000000 ] - [ -0.0000928900000000, 0.0009693200000000, 0.0006370600000000 ] - [ 0.0004598900000000, -0.0006874600000000, 0.0005107600000000 ] - [ -0.0005238500000000, -0.0002240500000000, 0.0004449500000000 ] - [ -0.0002198100000000, -0.0001746300000000, 0.0001478100000000 ] - [ -0.0002423300000000, 0.0005839000000000, 0.0001691300000000 ] - [ 0.0068472500000000, -0.0034891900000000, -0.0101966400000000 ] - [ -0.0000756700000000, -0.0001998600000000, 0.0000036600000000 ] - [ -0.0004314100000000, -0.0002145200000000, -0.0001335800000000 ] - [ -0.0006541300000000, 0.0005476600000000, 0.0009654700000000 ] - [ -0.0000229700000000, 0.0003820100000000, -0.0000245000000000 ] - [ 0.0009049500000000, -0.0001343800000000, 0.0006368100000000 ] - [ -0.0001008500000000, 0.0004398700000000, -0.0000621000000000 ] - [ -0.0003066500000000, -0.0000322100000000, 0.0001119700000000 ] - [ 0.0000478000000000, 0.0000430500000000, 0.0000235700000000 ] - [ 0.0003972400000000, -0.0001875800000000, 0.0019267700000000 ] - [ -0.0003766200000000, -0.0001472500000000, 0.0026194300000000 ] - [ -0.0001816700000000, -0.0005673100000000, 0.0004216700000000 ] - [ -0.0003889500000000, -0.0002086400000000, -0.0001710300000000 ] - [ -0.0027145800000000, 0.0025081300000000, -0.0001131100000000 ] - [ 0.0000165300000000, 0.0001344700000000, -0.0001137400000000 ] - [ -0.0002431900000000, 0.0001495200000000, 0.0022548000000000 ] - [ 0.0000950900000000, 0.0003568200000000, 0.0009518600000000 ] - [ -0.0027441200000000, -0.0009760900000000, -0.0029997200000000 ] - [ 0.0015324000000000, -0.0061755600000000, -0.0092516600000000 ] - [ -0.0014240700000000, 0.0002304000000000, -0.0013201900000000 ] - [ 0.0060964600000000, 0.0008947700000000, -0.0124859700000000 ] - [ 0.0001570700000000, 0.0001145500000000, -0.0001794600000000 ] - [ -0.0015252500000000, -0.0002883000000000, 0.0013798200000000 ] - [ 0.0000722400000000, -0.0002367800000000, 0.0000472700000000 ] - [ 0.0007967600000000, -0.0000106500000000, 0.0010827700000000 ] - [ 0.0000229700000000, 0.0000945200000000, 0.0002508200000000 ] - [ 0.0001966600000000, -0.0001771300000000, 0.0002101400000000 ] - [ -0.0004266200000000, -0.0003844200000000, -0.0001279600000000 ] - [ 0.0034796600000000, -0.0007728700000000, -0.0090935000000000 ] - [ -0.0002603000000000, -0.0001375600000000, 0.0001789600000000 ] - [ 0.0002401400000000, 0.0003734800000000, -0.0005245600000000 ] - [ 0.0002386300000000, 0.0002451700000000, -0.0002330900000000 ] - [ 0.0002471900000000, -0.0000589600000000, 0.0002774200000000 ] - [ -0.0005232900000000, -0.0004353000000000, -0.0001296700000000 ] - [ -0.0000247800000000, 0.0003569500000000, 0.0003489900000000 ] - [ 0.0001397100000000, -0.0000652200000000, -0.0002502000000000 ] - [ 0.0002779300000000, -0.0001262800000000, 0.0002961500000000 ] - [ 0.0001879700000000, 0.0003467600000000, -0.0000914300000000 ] - [ -0.0001870200000000, -0.0000208700000000, 0.0004505500000000 ] - [ 0.0004070500000000, -0.0007125500000000, -0.0001246800000000 ] - [ 0.0011760000000000, -0.0011348400000000, -0.0004866900000000 ] - [ -0.0002550700000000, 0.0005362400000000, -0.0001017000000000 ] - [ -0.0029442300000000, 0.0014460400000000, -0.0003046400000000 ] - [ -0.0000304100000000, 0.0001471400000000, -0.0000671800000000 ] - [ -0.0001435600000000, -0.0003904700000000, 0.0001754800000000 ] - [ -0.0002243500000000, 0.0001525800000000, -0.0002148100000000 ] - [ 0.0000282500000000, 0.0000448300000000, 0.0007846200000000 ] - [ 0.0010197600000000, 0.0016669000000000, -0.0000105900000000 ] - [ -0.0002604400000000, -0.0004006600000000, 0.0000744700000000 ] - [ -0.0052138900000000, -0.0027256200000000, 0.0018612800000000 ] - [ 0.0001951900000000, -0.0003038200000000, -0.0001908000000000 ] - [ -0.0001234100000000, 0.0001372900000000, 0.0000536400000000 ] - [ 0.0001284000000000, 0.0004268400000000, -0.0002911100000000 ] - [ 0.0012147400000000, 0.0001077000000000, 0.0025332100000000 ] - [ -0.0006280300000000, 0.0003503200000000, 0.0004661300000000 ] - [ -0.0001711200000000, 0.0000249200000000, 0.0003241900000000 ] - [ -0.0001643600000000, 0.0001695300000000, 0.0001869100000000 ] - [ -0.0002545300000000, -0.0005497300000000, 0.0003620100000000 ] - [ -0.0001032400000000, 0.0000455600000000, 0.0033942900000000 ] - [ 0.0030520500000000, -0.0007218800000000, 0.0026071700000000 ] - [ -0.0003853600000000, -0.0004697000000000, -0.0007229400000000 ] - [ 0.0661696900000000, -0.0258288000000000, -0.0452024100000000 ] - [ 0.0002468700000000, -0.0002423100000000, -0.0000384400000000 ] - [ 0.0000736800000000, -0.0002563800000000, 0.0000685300000000 ] - [ -0.0001285600000000, 0.0002366700000000, -0.0000052000000000 ] - [ 0.0004754500000000, 0.0004950900000000, -0.0002786000000000 ] - [ -0.0001382900000000, 0.0000418400000000, 0.0003361000000000 ] - [ 0.0017498400000000, 0.0000234800000000, 0.0002910000000000 ] - [ 0.0001030200000000, 0.0003940600000000, -0.0002574200000000 ] - [ 0.0000176600000000, -0.0000600100000000, 0.0002923200000000 ] - [ -0.0034096700000000, -0.0046885900000000, -0.0014493300000000 ] - [ 0.0015906000000000, 0.0005006700000000, -0.0018182100000000 ] - [ -0.0017980600000000, 0.0012739100000000, -0.0012244800000000 ] - [ 0.0007827200000000, 0.0032063000000000, -0.0015418700000000 ] - [ -0.0003271100000000, 0.0001272000000000, 0.0003435900000000 ] - [ 0.0001899300000000, 0.0001597700000000, 0.0000173100000000 ] - [ -0.0003043100000000, 0.0004603100000000, 0.0000861300000000 ] - [ 0.0011253400000000, 0.0017429600000000, 0.0010578000000000 ] - [ 0.0002147200000000, 0.0000742900000000, 0.0004305100000000 ] - [ -0.0000633900000000, -0.0005765200000000, 0.0001134200000000 ] - [ 0.0001041000000000, -0.0005137200000000, -0.0002632900000000 ] - [ 0.0000030500000000, 0.0003801400000000, -0.0000944200000000 ] - [ 0.0000081700000000, -0.0004711700000000, -0.0006479000000000 ] - [ -0.0001726200000000, -0.0000667000000000, 0.0000961600000000 ] - [ -0.0001959800000000, 0.0004258100000000, -0.0000847800000000 ] - [ 0.0000634200000000, -0.0001334900000000, -0.0003291200000000 ] - [ -0.0002820200000000, 0.0000091700000000, -0.0003133000000000 ] - [ 0.0008266500000000, -0.0003654800000000, -0.0007757500000000 ] - [ 0.0001052700000000, -0.0006833400000000, -0.0002490000000000 ] - [ 0.0000282200000000, -0.0010889300000000, -0.0001626600000000 ] - [ -0.0000413700000000, 0.0000033300000000, 0.0000206500000000 ] - [ -0.0002931600000000, -0.0000467600000000, -0.0000462400000000 ] - [ 0.0000744100000000, 0.0003791800000000, -0.0003575300000000 ] - [ 0.0000193600000000, -0.0000167300000000, -0.0000494500000000 ] - [ -0.0000970100000000, 0.0002438200000000, 0.0003813400000000 ] - [ -0.0002670500000000, -0.0003129400000000, 0.0004232700000000 ] - [ -0.0008808400000000, 0.0000237700000000, -0.0005462300000000 ] - [ 0.0010174800000000, -0.0003039500000000, -0.0001594800000000 ] - [ 0.0006997000000000, 0.0005352900000000, 0.0007057000000000 ] - [ -0.0001932200000000, -0.0003964200000000, 0.0002944700000000 ] - [ 0.0001459000000000, 0.0000011200000000, -0.0004633200000000 ] - [ 0.0003856700000000, 0.0001309800000000, 0.0000871800000000 ] - [ 0.0004529400000000, -0.0021700900000000, 0.0032842200000000 ] - [ 0.0004484500000000, 0.0005243200000000, 0.0003014600000000 ] - [ 0.0001959300000000, -0.0000023000000000, 0.0001088400000000 ] - [ -0.0002289400000000, 0.0003814100000000, -0.0001949600000000 ] - [ -0.0976498100000000, 0.0405862100000000, 0.0570945500000000 ] - [ -0.0003829200000000, -0.0001895100000000, -0.0005094600000000 ] - [ -0.0000494600000000, 0.0001878400000000, -0.0001366400000000 ] - [ 0.0021582100000000, -0.0005789400000000, -0.0001818000000000 ] - [ -0.0001587700000000, -0.0000725100000000, -0.0000021300000000 ] - [ 0.0002901800000000, 0.0000663100000000, -0.0008755200000000 ] - [ -0.0005197900000000, 0.0003296500000000, -0.0007864000000000 ] - [ 0.0005099400000000, 0.0000660300000000, 0.0000013200000000 ] - [ 0.0005749800000000, 0.0001351400000000, -0.0007073100000000 ] - [ -0.0008255500000000, 0.0001867600000000, -0.0019388700000000 ] - [ 0.0006551800000000, 0.0084523600000000, -0.0086872000000000 ] - [ -0.0012788200000000, 0.0001322400000000, 0.0003976900000000 ] - [ 0.0001177000000000, 0.0006801400000000, -0.0001273300000000 ] - [ -0.0006864100000000, 0.0002494000000000, -0.0004961000000000 ] - [ 0.0001588600000000, 0.0006750000000000, -0.0004550800000000 ] - [ 0.0050501500000000, 0.0004401100000000, 0.0029118100000000 ] - [ 0.0002591000000000, 0.0001285300000000, -0.0001964500000000 ] - [ -0.0006128700000000, -0.0088613800000000, 0.0154021900000000 ] - [ -0.0003777200000000, 0.0000037200000000, 0.0000128700000000 ] - [ 0.0003885500000000, -0.0008759600000000, 0.0003615400000000 ] - [ -0.0002527900000000, -0.0000770500000000, -0.0001015500000000 ] - [ -0.0000290400000000, 0.0004141500000000, -0.0002400800000000 ] - [ -0.0003347300000000, 0.0001943600000000, 0.0002529100000000 ] - [ -0.0001906500000000, 0.0006339600000000, 0.0002883600000000 ] - [ 0.0001831500000000, 0.0000273200000000, -0.0000680900000000 ] - [ -0.0001635800000000, -0.0001580000000000, 0.0001305800000000 ] - [ 0.0194138700000000, -0.0009866600000000, 0.0168840600000000 ] - [ 0.0004760000000000, 0.0001595300000000, 0.0006510900000000 ] - [ -0.0043076300000000, -0.0051229700000000, -0.0031720700000000 ] - [ -0.0000048900000000, -0.0006968100000000, -0.0019305000000000 ] - [ 0.0002721100000000, 0.0003047100000000, -0.0002152000000000 ] - [ 0.0004947400000000, -0.0004241200000000, -0.0010239300000000 ] - [ 0.0003945100000000, 0.0003672300000000, -0.0006294100000000 ] - [ -0.0001503400000000, 0.0000222600000000, 0.0000728400000000 ] - [ -0.0001330100000000, 0.0001452500000000, 0.0001071000000000 ] - [ 0.0005870100000000, -0.0002158100000000, 0.0001658900000000 ] - [ 0.0002981200000000, 0.0000740900000000, -0.0000394400000000 ] - [ 0.0000912100000000, -0.0000145600000000, -0.0003465300000000 ] - [ 0.0001263300000000, -0.0000884000000000, -0.0001179300000000 ] - [ 0.0016386200000000, 0.0009552900000000, -0.0037893400000000 ] - [ 0.0000910400000000, -0.0000306900000000, 0.0015921000000000 ] - [ 0.0000184400000000, 0.0002100000000000, -0.0003178600000000 ] - [ -0.0001255000000000, -0.0000852900000000, -0.0021523900000000 ] - [ -0.0022609000000000, 0.0008971700000000, 0.0006819000000000 ] - [ -0.0001717200000000, 0.0003679400000000, 0.0007889700000000 ] - [ 0.0002427400000000, -0.0002442200000000, -0.0000904500000000 ] - [ 0.0000473500000000, 0.0000451400000000, -0.0006626800000000 ] - [ 0.0002511300000000, -0.0007931700000000, 0.0001262000000000 ] - [ 0.0004233800000000, -0.0002574900000000, -0.0000205800000000 ] - [ -0.0005057100000000, 0.0003120800000000, 0.0000149700000000 ] - [ 0.0002881000000000, -0.0000732700000000, -0.0001980400000000 ] - [ -0.0000009500000000, -0.0001653000000000, -0.0001375000000000 ] - [ 0.0002756000000000, -0.0002627000000000, 0.0012964300000000 ] - [ 0.0001874800000000, -0.0004301200000000, 0.0001029300000000 ] - [ 0.0008356800000000, 0.0004347200000000, 0.0001699200000000 ]- atom: 124 displacement: [ 0.0099999639143206, 0.0000000000000000, -0.0000268647033593 ] forces: - [ 0.0000271400000000, -0.0001847900000000, 0.0001581700000000 ] - [ 0.0007925500000000, 0.0001956300000000, -0.0003056700000000 ] - [ 0.0004919600000000, -0.0002763000000000, 0.0000108000000000 ] - [ 0.0000138100000000, -0.0002899200000000, 0.0001471900000000 ] - [ 0.0009512600000000, -0.0005232100000000, 0.0002454700000000 ] - [ -0.0022642500000000, 0.0015944000000000, -0.0019551300000000 ] - [ -0.0005157900000000, 0.0000815300000000, -0.0002305200000000 ] - [ 0.0005692400000000, 0.0004759400000000, 0.0002381200000000 ] - [ 0.0000638100000000, -0.0000141900000000, -0.0000378300000000 ] - [ -0.0002180800000000, -0.0012059300000000, -0.0022710100000000 ] - [ 0.0000941400000000, 0.0004477600000000, 0.0000711700000000 ] - [ -0.0000566400000000, -0.0003396900000000, -0.0000112300000000 ] - [ 0.0005662200000000, 0.0001965000000000, 0.0003546900000000 ] - [ 0.0001031500000000, 0.0001568200000000, 0.0000010800000000 ] - [ -0.0012713500000000, -0.0001052200000000, 0.0004828200000000 ] - [ -0.0002897400000000, 0.0002461900000000, -0.0001769300000000 ] - [ -0.0014808300000000, 0.0012298400000000, 0.0019585500000000 ] - [ -0.0003799200000000, -0.0002571100000000, -0.0001793600000000 ] - [ -0.0017755300000000, 0.0004426900000000, -0.0000254500000000 ] - [ 0.0000378600000000, 0.0002609500000000, 0.0000201100000000 ] - [ 0.0012135300000000, -0.0008721200000000, 0.0009561700000000 ] - [ 0.0020650500000000, -0.0002344500000000, -0.0010883300000000 ] - [ -0.0005334400000000, -0.0000611100000000, 0.0000645500000000 ] - [ 0.0001085900000000, 0.0001285500000000, 0.0000582400000000 ] - [ 0.0015196500000000, 0.0001633400000000, 0.0006308500000000 ] - [ -0.0011091400000000, 0.0007317500000000, 0.0001664900000000 ] - [ 0.0005387800000000, 0.0005386400000000, -0.0002724100000000 ] - [ -0.0057798200000000, -0.0031608100000000, -0.0007682900000000 ] - [ -0.0001275300000000, 0.0002990900000000, 0.0020753100000000 ] - [ 0.0003770100000000, 0.0000734200000000, -0.0004263300000000 ] - [ 0.0138019700000000, -0.0004600500000000, 0.0004622300000000 ] - [ -0.0142932000000000, -0.0081509500000000, 0.0014245700000000 ] - [ -0.0004057200000000, 0.0001584100000000, 0.0008985700000000 ] - [ -0.0003415400000000, 0.0002508900000000, -0.0019118700000000 ] - [ -0.0000545600000000, -0.0001088700000000, -0.0002473000000000 ] - [ 0.0000308600000000, -0.0000169700000000, -0.0003543000000000 ] - [ -0.0000222500000000, 0.0002000500000000, 0.0003158700000000 ] - [ -0.0026401500000000, -0.0000995000000000, -0.0007844900000000 ] - [ 0.0232194200000000, -0.0034044500000000, -0.0019334800000000 ] - [ 0.0039384900000000, -0.0061680600000000, -0.0044889900000000 ] - [ -0.0002370800000000, 0.0006265100000000, -0.0000818100000000 ] - [ 0.0002741500000000, 0.0002041000000000, 0.0005142300000000 ] - [ 0.0001251100000000, -0.0004308600000000, -0.0001122500000000 ] - [ -0.0005320800000000, -0.0003824500000000, -0.0007569900000000 ] - [ -0.0010858900000000, -0.0001686000000000, 0.0000723300000000 ] - [ -0.0000609900000000, 0.0005242900000000, -0.0006325400000000 ] - [ 0.0000209100000000, 0.0002800500000000, 0.0000669200000000 ] - [ -0.0002682700000000, -0.0004211300000000, 0.0012806500000000 ] - [ -0.0001480900000000, -0.0001810000000000, -0.0000251400000000 ] - [ 0.0014132700000000, 0.0022608500000000, 0.0001031000000000 ] - [ 0.0004425100000000, 0.0001312300000000, -0.0003142200000000 ] - [ 0.0003829700000000, 0.0001247700000000, 0.0020738700000000 ] - [ -0.0016924900000000, 0.0014760000000000, 0.0005988500000000 ] - [ -0.0010642800000000, -0.0023605800000000, 0.0014687300000000 ] - [ 0.0000564300000000, -0.0004147900000000, -0.0001026800000000 ] - [ 0.0006274700000000, -0.0007061400000000, -0.0003337000000000 ] - [ -0.0000047800000000, 0.0000865500000000, 0.0001089300000000 ] - [ 0.0003488600000000, -0.0001837000000000, -0.0002403600000000 ] - [ 0.0014959600000000, -0.0031347200000000, 0.0001620300000000 ] - [ -0.0001329900000000, -0.0001784700000000, 0.0001230400000000 ] - [ -0.0000542600000000, 0.0000340800000000, -0.0002748900000000 ] - [ 0.0041094100000000, 0.0022233400000000, 0.0045787600000000 ] - [ -0.0000515600000000, 0.0003130200000000, 0.0001050300000000 ] - [ -0.0001964200000000, -0.0003569000000000, 0.0000754100000000 ] - [ -0.0003318300000000, -0.0001221000000000, -0.0000431400000000 ] - [ -0.0000401400000000, 0.0000503700000000, -0.0001715100000000 ] - [ 0.0000302600000000, -0.0002573100000000, -0.0012608300000000 ] - [ 0.0001404100000000, 0.0004065300000000, -0.0001538200000000 ] - [ -0.0002814200000000, -0.0012239200000000, -0.0024332500000000 ] - [ 0.0000196100000000, 0.0001519700000000, -0.0004066100000000 ] - [ -0.0013983400000000, -0.0007961200000000, 0.0008212000000000 ] - [ -0.0078271700000000, 0.0014268300000000, 0.0009815400000000 ] - [ -0.0011129800000000, -0.0007343800000000, -0.0000549300000000 ] - [ -0.0027228200000000, 0.0001672700000000, -0.0027386900000000 ] - [ 0.0005117000000000, -0.0001904800000000, -0.0003087800000000 ] - [ -0.0007460300000000, -0.0025933400000000, 0.0023820900000000 ] - [ -0.0001186700000000, 0.0000103200000000, -0.0000548800000000 ] - [ 0.2318428200000000, 0.0623476600000000, -0.0158570600000000 ] - [ 0.0000221900000000, -0.0002158600000000, 0.0001102700000000 ] - [ 0.0000399300000000, 0.0004529600000000, -0.0000189000000000 ] - [ 0.0138107100000000, -0.0002132000000000, 0.0029556200000000 ] - [ -0.0013060000000000, -0.0005913800000000, -0.0022642900000000 ] - [ 0.0001115000000000, -0.0000638100000000, 0.0003780700000000 ] - [ 0.0068806800000000, 0.0008007700000000, -0.0011099700000000 ] - [ -0.0000693100000000, -0.0003486600000000, 0.0003030300000000 ] - [ 0.0000793700000000, 0.0000017300000000, 0.0000433800000000 ] - [ 0.0019437300000000, -0.0008130500000000, 0.0002852200000000 ] - [ -0.0002824900000000, 0.0006953200000000, 0.0003843200000000 ] - [ -0.0000481900000000, 0.0003336300000000, 0.0024405800000000 ] - [ 0.0003669000000000, -0.0002672300000000, 0.0000177700000000 ] - [ 0.0008857000000000, 0.0006891400000000, 0.0007026500000000 ] - [ 0.0684035000000000, -0.0094096600000000, -0.0084261500000000 ] - [ -0.0001317200000000, 0.0001848900000000, 0.0003312200000000 ] - [ 0.0003672800000000, -0.0000636000000000, 0.0004255000000000 ] - [ 0.0004889100000000, -0.0013733500000000, -0.0001808300000000 ] - [ -0.0008512500000000, 0.0081711400000000, 0.0010578600000000 ] - [ -0.0000271100000000, 0.0002898300000000, 0.0000960100000000 ] - [ 0.0015818400000000, 0.0036453300000000, 0.0004167800000000 ] - [ 0.0013269600000000, 0.0006862300000000, -0.0003898900000000 ] - [ 0.0008795900000000, -0.0019643500000000, 0.0001274000000000 ] - [ 0.0000362600000000, 0.0000034600000000, -0.0003810800000000 ] - [ -0.0020639800000000, -0.0007733500000000, 0.0017253300000000 ] - [ 0.0006010500000000, -0.0002257900000000, 0.0006198800000000 ] - [ -0.0005691600000000, -0.0018251100000000, 0.0001352600000000 ] - [ 0.0001471000000000, -0.0005688700000000, -0.0001453300000000 ] - [ -0.0000977500000000, 0.0001181400000000, 0.0001670900000000 ] - [ 0.0005513600000000, 0.0006932000000000, -0.0007911000000000 ] - [ -0.0003355800000000, 0.0005748900000000, -0.0011491700000000 ] - [ 0.0002120900000000, -0.0002918800000000, -0.0007642900000000 ] - [ -0.0010676300000000, 0.0007710800000000, 0.0006365400000000 ] - [ 0.0012241200000000, 0.0016031700000000, -0.0036511700000000 ] - [ 0.0001173400000000, 0.0008207200000000, 0.0015138300000000 ] - [ 0.0001835000000000, 0.0001817400000000, -0.0000953400000000 ] - [ 0.0000442800000000, 0.0000444000000000, 0.0002407600000000 ] - [ -0.0003528700000000, -0.0003123500000000, 0.0004293900000000 ] - [ -0.0041963800000000, -0.0022647300000000, -0.0006345100000000 ] - [ 0.0011588600000000, -0.0000230100000000, -0.0000448300000000 ] - [ 0.0001981700000000, 0.0001043400000000, 0.0002926700000000 ] - [ -0.0000952300000000, -0.0002721700000000, 0.0001076300000000 ] - [ 0.0003629200000000, -0.0001570800000000, 0.0001757300000000 ] - [ -0.0004289900000000, 0.0002899000000000, -0.0000659200000000 ] - [ -0.0000112700000000, -0.0002201500000000, 0.0003818900000000 ] - [ 0.0128444400000000, 0.0371408200000000, -0.0015516600000000 ] - [ -0.3508465600000000, -0.0706007900000000, 0.0270144300000000 ] - [ -0.0002886600000000, -0.0006012700000000, -0.0002861100000000 ] - [ -0.0001083100000000, -0.0001144500000000, -0.0002221000000000 ] - [ 0.0046379600000000, -0.0011404800000000, -0.0009569100000000 ] - [ -0.0007902600000000, 0.0004951800000000, -0.0002600600000000 ] - [ 0.0023843900000000, 0.0000417900000000, -0.0000709700000000 ] - [ 0.0023450600000000, -0.0036067000000000, 0.0006136000000000 ] - [ -0.0011597300000000, -0.0022299900000000, 0.0062914100000000 ] - [ 0.0002047600000000, 0.0000365100000000, 0.0000169100000000 ] - [ -0.0000683700000000, -0.0002106200000000, -0.0000621200000000 ] - [ 0.0001045200000000, 0.0006945200000000, -0.0001905100000000 ] - [ -0.0011438500000000, 0.0012886400000000, -0.0004173400000000 ] - [ 0.0004114300000000, 0.0003677100000000, -0.0001633500000000 ] - [ 0.0004790100000000, -0.0001676400000000, 0.0004101400000000 ] - [ 0.0001399400000000, -0.0000731700000000, -0.0001892000000000 ] - [ 0.0002025200000000, 0.0004262200000000, -0.0002853300000000 ] - [ -0.0004674000000000, -0.0000660200000000, -0.0000838700000000 ] - [ -0.0001755900000000, -0.0003498000000000, -0.0000207300000000 ] - [ -0.0002121700000000, -0.0000739100000000, -0.0001408500000000 ] - [ -0.0000112300000000, 0.0002313100000000, -0.0002193400000000 ] - [ -0.0001209300000000, -0.0001349200000000, 0.0004591700000000 ] - [ -0.0001070600000000, 0.0005677500000000, 0.0001853300000000 ] - [ 0.0013933400000000, 0.0002498700000000, -0.0000809900000000 ] - [ -0.0000908100000000, -0.0001285800000000, 0.0001509700000000 ] - [ -0.0004861000000000, -0.0004117100000000, -0.0002198600000000 ] - [ -0.0002545300000000, -0.0004478500000000, -0.0000628800000000 ] - [ 0.0008521100000000, 0.0002511800000000, 0.0017913700000000 ] - [ 0.0020316700000000, 0.0015817200000000, 0.0028692100000000 ] - [ 0.0005345800000000, 0.0002970100000000, -0.0000317000000000 ] - [ 0.0023122400000000, -0.0042475900000000, -0.0063003300000000 ] - [ 0.0017479600000000, 0.0011831500000000, -0.0005716900000000 ] - [ -0.0006080200000000, -0.0002445600000000, 0.0002738100000000 ] - [ 0.0003718000000000, 0.0016298600000000, 0.0002105800000000 ] - [ 0.0001320700000000, -0.0004309000000000, 0.0001430200000000 ] - [ 0.0001445700000000, -0.0000317300000000, 0.0000077200000000 ] - [ 0.0002545300000000, -0.0003439100000000, -0.0002865100000000 ] - [ 0.0001281600000000, -0.0000705200000000, -0.0003066000000000 ] - [ 0.0002845500000000, -0.0001503300000000, -0.0006734100000000 ] - [ -0.0002179800000000, 0.0004806600000000, 0.0003024000000000 ] - [ -0.0000528900000000, -0.0000640500000000, -0.0000457500000000 ] - [ -0.0000190900000000, 0.0000576100000000, -0.0001592800000000 ] - [ -0.0003313800000000, 0.0003044400000000, -0.0000476300000000 ] - [ -0.0002987700000000, 0.0001858700000000, 0.0004303400000000 ] - [ -0.0006722600000000, -0.0000609900000000, -0.0026257500000000 ] - [ -0.0036289900000000, -0.0020752100000000, -0.0003309700000000 ] - [ 0.0001271200000000, 0.0000036900000000, -0.0002537600000000 ] - [ 0.0005132600000000, -0.0002616200000000, -0.0000607100000000 ] - [ -0.0025898000000000, 0.0003431300000000, 0.0000801900000000 ] - [ 0.0003266800000000, -0.0000320800000000, 0.0001427600000000 ] - [ -0.0001692400000000, 0.0002726400000000, -0.0003286600000000 ] - [ -0.0004808300000000, 0.0004834300000000, -0.0021572200000000 ] - [ 0.0002006300000000, -0.0004407000000000, 0.0000788100000000 ] - [ 0.0015023200000000, 0.0013524700000000, -0.0006276700000000 ]- atom: 124 displacement: [ -0.0099999639143206, 0.0000000000000000, 0.0000268647033593 ] forces: - [ 0.0001627800000000, -0.0000269000000000, 0.0000254000000000 ] - [ -0.0009248200000000, 0.0002364400000000, 0.0002441300000000 ] - [ 0.0001297600000000, 0.0002679000000000, -0.0001583800000000 ] - [ 0.0000781100000000, -0.0003730400000000, 0.0001326900000000 ] - [ -0.0010503900000000, -0.0001479100000000, -0.0005189200000000 ] - [ 0.0020772600000000, -0.0018256500000000, 0.0017831100000000 ] - [ 0.0003268500000000, 0.0001303600000000, 0.0000429100000000 ] - [ 0.0002962900000000, -0.0001349300000000, -0.0000189500000000 ] - [ -0.0000052100000000, -0.0000870800000000, -0.0000762200000000 ] - [ 0.0001804000000000, 0.0013075000000000, 0.0023979600000000 ] - [ -0.0000026100000000, 0.0002200400000000, 0.0002081300000000 ] - [ 0.0001845900000000, -0.0000974300000000, 0.0000672400000000 ] - [ 0.0003009500000000, -0.0005313700000000, -0.0001356400000000 ] - [ -0.0000448000000000, -0.0000500000000000, -0.0001146300000000 ] - [ 0.0012139300000000, -0.0000033300000000, -0.0003645800000000 ] - [ -0.0003296300000000, -0.0002559800000000, 0.0003204800000000 ] - [ 0.0013512800000000, -0.0016869800000000, -0.0020288800000000 ] - [ -0.0004860700000000, -0.0000778600000000, -0.0000376500000000 ] - [ 0.0009071700000000, -0.0001026900000000, -0.0001896900000000 ] - [ 0.0000897400000000, 0.0001811600000000, 0.0000357600000000 ] - [ -0.0005950300000000, 0.0008804100000000, -0.0011036000000000 ] - [ -0.0021007300000000, 0.0009307200000000, 0.0007010100000000 ] - [ -0.0000851600000000, 0.0000708300000000, 0.0000789400000000 ] - [ 0.0000809900000000, 0.0000884800000000, 0.0001253900000000 ] - [ -0.0009943100000000, -0.0004689600000000, 0.0002876600000000 ] - [ 0.0011762900000000, -0.0011945600000000, 0.0001221900000000 ] - [ -0.0009196000000000, -0.0015380700000000, 0.0009355000000000 ] - [ 0.0052809900000000, 0.0028006200000000, -0.0001492200000000 ] - [ 0.0000587700000000, 0.0001671700000000, -0.0023641800000000 ] - [ -0.0001877700000000, 0.0002534800000000, -0.0004449400000000 ] - [ -0.0138062900000000, 0.0002886000000000, 0.0004551200000000 ] - [ 0.0144523400000000, 0.0086126900000000, -0.0013347700000000 ] - [ 0.0000326000000000, 0.0008707600000000, -0.0002392900000000 ] - [ -0.0001841400000000, 0.0000621500000000, 0.0009990400000000 ] - [ -0.0000626100000000, -0.0002607000000000, 0.0001604900000000 ] - [ 0.0001547400000000, -0.0002929000000000, -0.0005164900000000 ] - [ 0.0004137500000000, -0.0000142600000000, -0.0004017500000000 ] - [ 0.0030146100000000, -0.0009164300000000, 0.0001085700000000 ] - [ -0.0234438500000000, 0.0031917500000000, 0.0017152000000000 ] - [ -0.0035400600000000, 0.0059886200000000, 0.0044141000000000 ] - [ 0.0001178400000000, -0.0002455000000000, -0.0000050700000000 ] - [ 0.0002487100000000, 0.0001212400000000, 0.0004043400000000 ] - [ -0.0000099700000000, 0.0000532000000000, 0.0001880500000000 ] - [ 0.0001340500000000, 0.0005695100000000, 0.0008477300000000 ] - [ 0.0006922700000000, -0.0000154200000000, 0.0000164200000000 ] - [ 0.0004245500000000, 0.0005004200000000, -0.0000325100000000 ] - [ 0.0000481700000000, 0.0001984200000000, 0.0002223600000000 ] - [ 0.0000800700000000, 0.0001037400000000, -0.0004013300000000 ] - [ -0.0001695400000000, -0.0002916000000000, -0.0000291700000000 ] - [ -0.0013524100000000, -0.0018482900000000, 0.0000643000000000 ] - [ 0.0000145800000000, -0.0000569100000000, -0.0003816900000000 ] - [ -0.0000933700000000, -0.0002488900000000, -0.0014957300000000 ] - [ 0.0020903500000000, -0.0008150200000000, -0.0008274000000000 ] - [ 0.0006472700000000, 0.0030317400000000, -0.0012341600000000 ] - [ 0.0002586200000000, -0.0000665900000000, 0.0001574300000000 ] - [ -0.0003286600000000, -0.0000706100000000, -0.0001178100000000 ] - [ 0.0000374000000000, 0.0005200000000000, -0.0003264400000000 ] - [ 0.0000716000000000, -0.0004798600000000, 0.0000015900000000 ] - [ -0.0015579200000000, 0.0035621600000000, -0.0003284500000000 ] - [ 0.0001019800000000, -0.0004283500000000, 0.0000932600000000 ] - [ -0.0002399600000000, 0.0001000600000000, -0.0002665500000000 ] - [ -0.0037879000000000, -0.0020911600000000, -0.0040168800000000 ] - [ 0.0000187600000000, 0.0003030700000000, 0.0001114600000000 ] - [ -0.0002234600000000, -0.0003041300000000, 0.0001623400000000 ] - [ 0.0000409100000000, -0.0000082400000000, -0.0005000800000000 ] - [ 0.0002900300000000, -0.0003036400000000, 0.0000301500000000 ] - [ -0.0003011700000000, 0.0005196100000000, 0.0013645300000000 ] - [ 0.0001599300000000, 0.0003764100000000, -0.0003039000000000 ] - [ -0.0000241500000000, 0.0020150500000000, 0.0029034100000000 ] - [ 0.0002345100000000, 0.0001106800000000, 0.0002619600000000 ] - [ 0.0009508000000000, 0.0007258700000000, -0.0001218000000000 ] - [ 0.0081452700000000, -0.0009421600000000, -0.0009197600000000 ] - [ 0.0008144500000000, -0.0000472900000000, 0.0005100600000000 ] - [ 0.0022838000000000, -0.0000990300000000, 0.0034362000000000 ] - [ -0.0000625300000000, 0.0001215800000000, -0.0003882300000000 ] - [ 0.0004927300000000, 0.0023403900000000, -0.0022526500000000 ] - [ 0.0000473300000000, -0.0004076900000000, -0.0001135900000000 ] - [ -0.2476636000000000, -0.0703538700000000, 0.0171207500000000 ] - [ 0.0000491500000000, -0.0001773200000000, 0.0000584700000000 ] - [ -0.0003569100000000, 0.0000324600000000, -0.0000348000000000 ] - [ -0.0132037100000000, 0.0010111400000000, -0.0028324900000000 ] - [ 0.0011941900000000, 0.0005563400000000, 0.0030423000000000 ] - [ -0.0006664300000000, -0.0001118300000000, 0.0000970000000000 ] - [ -0.0071621700000000, -0.0000120700000000, 0.0008657600000000 ] - [ 0.0001385200000000, 0.0002165700000000, 0.0003569700000000 ] - [ 0.0004074100000000, 0.0000686300000000, 0.0001719100000000 ] - [ -0.0014699500000000, 0.0007095700000000, -0.0005339600000000 ] - [ -0.0002764400000000, -0.0006148700000000, -0.0005952000000000 ] - [ -0.0003464400000000, -0.0004001700000000, -0.0020295800000000 ] - [ 0.0001077600000000, -0.0005297600000000, 0.0000454200000000 ] - [ -0.0006617800000000, -0.0005477800000000, -0.0004208500000000 ] - [ -0.0702004700000000, 0.0107722200000000, 0.0090018700000000 ] - [ -0.0003497900000000, 0.0003250300000000, 0.0005024600000000 ] - [ 0.0002026400000000, 0.0000341000000000, 0.0001483100000000 ] - [ -0.0006348700000000, 0.0001871800000000, 0.0005153400000000 ] - [ 0.0010456900000000, -0.0092755800000000, -0.0014190700000000 ] - [ 0.0002962000000000, 0.0004801000000000, 0.0001462800000000 ] - [ -0.0014229800000000, -0.0048434000000000, -0.0007592200000000 ] - [ -0.0017264500000000, -0.0006114800000000, 0.0007971200000000 ] - [ -0.0012134500000000, 0.0028147000000000, -0.0001841800000000 ] - [ 0.0000941200000000, 0.0000123800000000, -0.0004534500000000 ] - [ 0.0015136500000000, 0.0007501800000000, -0.0022514600000000 ] - [ -0.0000319800000000, 0.0002492300000000, -0.0000449000000000 ] - [ 0.0003525100000000, 0.0006896800000000, 0.0002333800000000 ] - [ 0.0001263100000000, -0.0005185300000000, -0.0002018700000000 ] - [ -0.0001432000000000, -0.0000287800000000, 0.0000265000000000 ] - [ -0.0010397800000000, -0.0006204500000000, 0.0005747700000000 ] - [ 0.0008123000000000, -0.0000638700000000, 0.0002979600000000 ] - [ 0.0000377600000000, 0.0001965200000000, 0.0005580500000000 ] - [ 0.0007368100000000, -0.0002241200000000, -0.0000285000000000 ] - [ -0.0015556500000000, -0.0021566600000000, 0.0042615400000000 ] - [ 0.0004495400000000, -0.0009102200000000, -0.0013124000000000 ] - [ 0.0001478400000000, 0.0003563600000000, -0.0004880600000000 ] - [ 0.0000245000000000, 0.0000751100000000, 0.0004230000000000 ] - [ -0.0001266400000000, -0.0002031500000000, 0.0004065200000000 ] - [ 0.0044227600000000, 0.0023632200000000, 0.0004328400000000 ] - [ -0.0005979900000000, 0.0001139000000000, 0.0002532000000000 ] - [ 0.0001257600000000, 0.0000271000000000, 0.0000390400000000 ] - [ -0.0001756800000000, -0.0004991500000000, -0.0003495900000000 ] - [ -0.0000382100000000, 0.0000140900000000, 0.0001563100000000 ] - [ -0.0000451200000000, 0.0005053500000000, -0.0000001900000000 ] - [ -0.0002663400000000, -0.0000189600000000, -0.0000524200000000 ] - [ -0.0131048400000000, -0.0375239200000000, 0.0012479300000000 ] - [ 0.3680816900000000, 0.0785235300000000, -0.0286707200000000 ] - [ -0.0000997700000000, -0.0002648400000000, 0.0002279700000000 ] - [ -0.0001233100000000, -0.0000247300000000, -0.0000624500000000 ] - [ -0.0047089000000000, 0.0010089600000000, 0.0002962600000000 ] - [ 0.0005595600000000, -0.0003634500000000, -0.0000269100000000 ] - [ -0.0014312000000000, 0.0001138500000000, 0.0001923900000000 ] - [ -0.0013708100000000, 0.0041838100000000, -0.0007436500000000 ] - [ 0.0006469300000000, 0.0021851500000000, -0.0065085100000000 ] - [ -0.0004440600000000, -0.0001285000000000, 0.0001751000000000 ] - [ -0.0001465600000000, -0.0001235000000000, -0.0000547800000000 ] - [ 0.0000471100000000, 0.0004842400000000, -0.0001459400000000 ] - [ 0.0002024600000000, -0.0011527100000000, 0.0002963200000000 ] - [ -0.0001332300000000, 0.0007125300000000, -0.0001839700000000 ] - [ 0.0004659900000000, 0.0000238900000000, -0.0002881500000000 ] - [ 0.0002520800000000, 0.0000022600000000, -0.0002226400000000 ] - [ 0.0000169500000000, 0.0007029600000000, -0.0000842900000000 ] - [ -0.0004738300000000, -0.0000776900000000, -0.0000383400000000 ] - [ -0.0001018500000000, -0.0007306600000000, 0.0003696700000000 ] - [ -0.0003500300000000, -0.0000137600000000, -0.0000673300000000 ] - [ -0.0000558800000000, -0.0001045100000000, -0.0004426100000000 ] - [ -0.0004274300000000, 0.0003043800000000, 0.0000154800000000 ] - [ -0.0001122100000000, 0.0005531400000000, 0.0001831200000000 ] - [ -0.0009083300000000, -0.0001399400000000, -0.0001753500000000 ] - [ -0.0001428200000000, -0.0000102100000000, 0.0002772600000000 ] - [ -0.0004778500000000, -0.0001754000000000, 0.0003524400000000 ] - [ -0.0002189100000000, -0.0003573700000000, -0.0000031100000000 ] - [ -0.0006251200000000, -0.0003904500000000, -0.0015208200000000 ] - [ -0.0018029100000000, -0.0017244400000000, -0.0033182600000000 ] - [ -0.0003040400000000, -0.0001608900000000, -0.0003925200000000 ] - [ -0.0018147200000000, 0.0037123000000000, 0.0054163600000000 ] - [ -0.0013619200000000, -0.0003206800000000, 0.0006313400000000 ] - [ 0.0001158900000000, 0.0001306400000000, -0.0000171300000000 ] - [ -0.0006634900000000, -0.0014009200000000, 0.0001179600000000 ] - [ 0.0001388200000000, -0.0003504200000000, 0.0000993900000000 ] - [ 0.0003423700000000, -0.0000422900000000, 0.0002091200000000 ] - [ 0.0000784000000000, -0.0002019700000000, -0.0003004000000000 ] - [ 0.0001493800000000, -0.0001700200000000, -0.0000245500000000 ] - [ -0.0001539300000000, 0.0001299100000000, -0.0001616400000000 ] - [ 0.0000668600000000, 0.0006990100000000, 0.0000331400000000 ] - [ -0.0001648900000000, 0.0003885900000000, -0.0000707000000000 ] - [ 0.0004122000000000, 0.0000069700000000, -0.0002530000000000 ] - [ -0.0001532400000000, -0.0002012200000000, 0.0003009200000000 ] - [ 0.0000651000000000, -0.0000530700000000, -0.0000048300000000 ] - [ 0.0005359600000000, 0.0000848600000000, 0.0034435900000000 ] - [ 0.0038899500000000, 0.0022850900000000, 0.0000016200000000 ] - [ 0.0000914500000000, -0.0003303200000000, 0.0003690700000000 ] - [ 0.0004500300000000, -0.0003264600000000, -0.0000720500000000 ] - [ 0.0016223500000000, 0.0002298600000000, 0.0000509500000000 ] - [ 0.0002423800000000, -0.0001526800000000, -0.0006002100000000 ] - [ -0.0001554200000000, -0.0001327000000000, -0.0000030600000000 ] - [ -0.0000875300000000, -0.0005111300000000, 0.0015920700000000 ] - [ 0.0001878100000000, -0.0004285200000000, -0.0000191100000000 ] - [ -0.0009480700000000, -0.0011810800000000, 0.0001609700000000 ]- atom: 124 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000406500000000, -0.0008825600000000, 0.0002247200000000 ] - [ -0.0001320600000000, 0.0017420300000000, -0.0005908600000000 ] - [ 0.0000115500000000, -0.0003418200000000, 0.0005251300000000 ] - [ 0.0000579500000000, -0.0009725900000000, 0.0001745700000000 ] - [ -0.0001366300000000, 0.0012673200000000, -0.0000902300000000 ] - [ 0.0008344200000000, 0.0008470000000000, 0.0004919200000000 ] - [ 0.0000264300000000, 0.0008994500000000, 0.0001177200000000 ] - [ 0.0006360800000000, -0.0010000800000000, -0.0004521000000000 ] - [ 0.0000042200000000, -0.0007366800000000, -0.0000962500000000 ] - [ -0.0011429100000000, 0.0017878000000000, -0.0013939200000000 ] - [ 0.0000327800000000, -0.0004333000000000, 0.0002771300000000 ] - [ -0.0000554500000000, -0.0010855600000000, -0.0000033500000000 ] - [ 0.0005556100000000, -0.0006268600000000, -0.0004797400000000 ] - [ 0.0001256800000000, -0.0008502200000000, -0.0001891800000000 ] - [ -0.0000231300000000, 0.0011867800000000, -0.0001491100000000 ] - [ -0.0003134200000000, -0.0002731900000000, 0.0004149900000000 ] - [ 0.0008497400000000, 0.0007849600000000, -0.0005514700000000 ] - [ -0.0006249200000000, -0.0003388600000000, -0.0003942300000000 ] - [ 0.0000533400000000, 0.0000877800000000, -0.0005568100000000 ] - [ 0.0000889200000000, -0.0003938000000000, -0.0000701400000000 ] - [ -0.0003653800000000, -0.0011668100000000, 0.0017725700000000 ] - [ -0.0005552500000000, 0.0035697500000000, -0.0006292100000000 ] - [ -0.0004281600000000, -0.0004302200000000, 0.0003403000000000 ] - [ 0.0001534900000000, -0.0006352000000000, 0.0002280200000000 ] - [ -0.0004989200000000, -0.0039129700000000, 0.0008086400000000 ] - [ 0.0011485900000000, -0.0037369700000000, 0.0002010300000000 ] - [ 0.0007872200000000, -0.0053591200000000, 0.0019195300000000 ] - [ -0.0042974100000000, 0.0036029300000000, -0.0010783700000000 ] - [ -0.0000200500000000, 0.0020301300000000, -0.0012057800000000 ] - [ -0.0004282600000000, -0.0035863100000000, -0.0007202000000000 ] - [ -0.0070796800000000, 0.0307201100000000, -0.0025843700000000 ] - [ -0.0059691300000000, 0.0084029900000000, 0.0014356300000000 ] - [ -0.0002143700000000, 0.0001991400000000, 0.0009566100000000 ] - [ -0.0001926700000000, 0.0019159800000000, -0.0000039300000000 ] - [ -0.0000705900000000, -0.0013969900000000, -0.0003318500000000 ] - [ 0.0000986000000000, -0.0011668000000000, -0.0005420700000000 ] - [ 0.0008245000000000, -0.0005940400000000, -0.0006877200000000 ] - [ 0.0017804500000000, -0.0005271900000000, 0.0012387800000000 ] - [ -0.0009519000000000, 0.0150020700000000, 0.0010669400000000 ] - [ -0.0016659300000000, -0.0081838100000000, -0.0057106200000000 ] - [ 0.0001530100000000, -0.0023477900000000, 0.0000597300000000 ] - [ 0.0003256900000000, -0.0013521000000000, 0.0006158500000000 ] - [ 0.0002676000000000, 0.0010682300000000, 0.0010902500000000 ] - [ -0.0006802400000000, -0.0003800800000000, -0.0010986500000000 ] - [ -0.0004795800000000, -0.0013881000000000, -0.0011225700000000 ] - [ 0.0010225800000000, 0.0000346200000000, 0.0006803500000000 ] - [ -0.0000267000000000, -0.0012604500000000, 0.0001660600000000 ] - [ 0.0000382200000000, 0.0008351600000000, -0.0003933700000000 ] - [ -0.0000642300000000, -0.0012940100000000, 0.0000328100000000 ] - [ 0.0003011700000000, -0.0034641900000000, 0.0001344700000000 ] - [ -0.0008013900000000, -0.0009633900000000, 0.0003495600000000 ] - [ 0.0004454300000000, -0.0013183000000000, -0.0051937800000000 ] - [ 0.0038910000000000, -0.0015202600000000, -0.0021655900000000 ] - [ -0.0006689300000000, -0.0016067700000000, 0.0010249700000000 ] - [ 0.0002234600000000, 0.0011128000000000, 0.0000909000000000 ] - [ 0.0003339700000000, -0.0015287500000000, -0.0015610600000000 ] - [ 0.0000481800000000, 0.0017342100000000, -0.0000594400000000 ] - [ 0.0001779600000000, -0.0001826000000000, -0.0002276000000000 ] - [ -0.0016117500000000, -0.0048641000000000, -0.0000438500000000 ] - [ -0.0000491000000000, -0.0020770300000000, 0.0001146500000000 ] - [ 0.0001853300000000, -0.0004141600000000, -0.0009452100000000 ] - [ 0.0014391500000000, 0.0017231200000000, -0.0043459400000000 ] - [ -0.0000594300000000, -0.0008039100000000, 0.0000966300000000 ] - [ -0.0002722100000000, -0.0007720400000000, 0.0001837900000000 ] - [ -0.0004195700000000, -0.0003262700000000, -0.0007052700000000 ] - [ 0.0008337400000000, -0.0015115600000000, 0.0000135200000000 ] - [ 0.0017212500000000, 0.0004842900000000, 0.0059481700000000 ] - [ -0.0002089900000000, -0.0002779500000000, -0.0000338500000000 ] - [ -0.0016236800000000, 0.0015159200000000, -0.0001116100000000 ] - [ 0.0000151700000000, -0.0005444300000000, 0.0007781100000000 ] - [ -0.0003355400000000, -0.0001156000000000, 0.0009204500000000 ] - [ 0.0007843900000000, 0.0025722700000000, -0.0000240800000000 ] - [ -0.0002150800000000, 0.0002734600000000, -0.0007598400000000 ] - [ 0.0020853100000000, 0.0006126300000000, 0.0044175600000000 ] - [ 0.0005957700000000, -0.0003649800000000, 0.0001377000000000 ] - [ 0.0000707700000000, 0.0003098500000000, 0.0007401700000000 ] - [ -0.0000126000000000, 0.0001312900000000, -0.0000856300000000 ] - [ 0.0672727600000000, 0.0928120000000000, -0.0053088100000000 ] - [ -0.0000355600000000, -0.0009791200000000, 0.0000412400000000 ] - [ -0.0004225500000000, -0.0020284200000000, -0.0001691900000000 ] - [ -0.0006524500000000, -0.0047776300000000, -0.0001739000000000 ] - [ -0.0015306600000000, 0.0009536500000000, 0.0097324700000000 ] - [ -0.0003315400000000, 0.0003661800000000, -0.0001892000000000 ] - [ -0.0002475300000000, -0.0030349200000000, 0.0000658300000000 ] - [ -0.0000310000000000, 0.0023926300000000, 0.0007826900000000 ] - [ 0.0000944000000000, 0.0004436100000000, -0.0002939800000000 ] - [ -0.0010835100000000, 0.0000959300000000, -0.0011624600000000 ] - [ 0.0001438600000000, 0.0011051700000000, 0.0009654300000000 ] - [ -0.0003999000000000, -0.0013049200000000, -0.0024130600000000 ] - [ 0.0003373100000000, -0.0016361400000000, 0.0001679100000000 ] - [ 0.0006853800000000, -0.0003378100000000, 0.0010828400000000 ] - [ -0.0233596300000000, -0.0187783300000000, 0.0018771800000000 ] - [ -0.0001587600000000, 0.0007733200000000, 0.0007701000000000 ] - [ 0.0000343000000000, 0.0007163300000000, -0.0001220000000000 ] - [ -0.0010633800000000, 0.0016005800000000, 0.0008490600000000 ] - [ 0.0079421300000000, 0.0078421600000000, 0.0007818900000000 ] - [ 0.0003407000000000, 0.0024607700000000, 0.0002190300000000 ] - [ 0.0029434600000000, 0.0013288400000000, -0.0001358200000000 ] - [ 0.0005500400000000, -0.0004872700000000, -0.0004219100000000 ] - [ -0.0077294200000000, 0.0045654300000000, -0.0005490700000000 ] - [ -0.0000069500000000, 0.0005432900000000, 0.0001289200000000 ] - [ -0.0021504100000000, 0.0050796900000000, -0.0079727800000000 ] - [ 0.0000856400000000, 0.0008033900000000, -0.0005477100000000 ] - [ -0.0002160700000000, 0.0024812900000000, 0.0001603400000000 ] - [ 0.0002244300000000, 0.0005073900000000, -0.0001267300000000 ] - [ -0.0004239500000000, 0.0008142100000000, 0.0005975600000000 ] - [ 0.0000937200000000, -0.0001736200000000, -0.0007125600000000 ] - [ 0.0009936700000000, -0.0001860600000000, 0.0021752300000000 ] - [ -0.0012072400000000, 0.0008481400000000, 0.0018750900000000 ] - [ -0.0004935200000000, -0.0012973400000000, -0.0026371100000000 ] - [ 0.0004328500000000, -0.0019721100000000, -0.0006289000000000 ] - [ 0.0018899600000000, -0.0005882100000000, 0.0017629200000000 ] - [ 0.0002563600000000, 0.0010793600000000, -0.0007882800000000 ] - [ -0.0000798500000000, 0.0009820600000000, 0.0002330600000000 ] - [ -0.0001943500000000, 0.0006034400000000, 0.0007671900000000 ] - [ -0.0011047600000000, 0.0014020700000000, 0.0039234000000000 ] - [ 0.0002379900000000, 0.0000187200000000, 0.0005781200000000 ] - [ 0.0002742100000000, 0.0010518300000000, 0.0003174200000000 ] - [ -0.0003592700000000, -0.0018338100000000, -0.0002563500000000 ] - [ 0.0001079700000000, 0.0016676500000000, 0.0001338300000000 ] - [ -0.0002511400000000, 0.0021580900000000, -0.0000244600000000 ] - [ -0.0000003100000000, -0.0001607300000000, 0.0001950200000000 ] - [ 0.0464444300000000, 0.0325486900000000, -0.0025387700000000 ] - [ -0.0734344900000000, -0.1753990400000000, 0.0111446800000000 ] - [ -0.0002157000000000, -0.0006817800000000, 0.0000360700000000 ] - [ -0.0000339800000000, 0.0005463300000000, 0.0000121400000000 ] - [ 0.0001506200000000, -0.0018747700000000, -0.0005605700000000 ] - [ -0.0001072800000000, 0.0018943900000000, 0.0005244700000000 ] - [ -0.0011123000000000, -0.0001911700000000, 0.0005895700000000 ] - [ -0.0027578500000000, 0.0056094400000000, -0.0009133700000000 ] - [ -0.0014167100000000, -0.0007274100000000, -0.0078141000000000 ] - [ 0.0000958300000000, 0.0003231700000000, 0.0003985600000000 ] - [ -0.0001518900000000, 0.0008094100000000, -0.0000524200000000 ] - [ 0.0000499700000000, 0.0007176400000000, -0.0001216100000000 ] - [ -0.0004092300000000, 0.0016169300000000, -0.0003507400000000 ] - [ -0.0000549600000000, 0.0023189600000000, -0.0002855100000000 ] - [ 0.0005335700000000, -0.0004023600000000, 0.0001398200000000 ] - [ 0.0004752100000000, 0.0007596500000000, -0.0009416400000000 ] - [ 0.0000647500000000, 0.0001215600000000, -0.0001192300000000 ] - [ -0.0003258100000000, 0.0004477000000000, -0.0000599100000000 ] - [ -0.0000169600000000, -0.0020094400000000, 0.0001579600000000 ] - [ 0.0000107300000000, 0.0006421500000000, 0.0001819700000000 ] - [ -0.0002840300000000, -0.0009696700000000, -0.0006381300000000 ] - [ -0.0013412100000000, 0.0013579200000000, -0.0003434400000000 ] - [ -0.0001003600000000, 0.0012337800000000, 0.0001691600000000 ] - [ 0.0002818500000000, 0.0001585300000000, -0.0004366000000000 ] - [ -0.0000776200000000, 0.0008344000000000, 0.0001251100000000 ] - [ -0.0006172100000000, -0.0003604900000000, 0.0001080000000000 ] - [ -0.0002055100000000, 0.0004569200000000, -0.0000448700000000 ] - [ 0.0006436000000000, -0.0006017900000000, 0.0008198900000000 ] - [ 0.0006394100000000, -0.0018239600000000, 0.0000621500000000 ] - [ 0.0001774800000000, -0.0008002800000000, 0.0002697600000000 ] - [ -0.0022857800000000, -0.0016179600000000, 0.0041212700000000 ] - [ 0.0008408400000000, 0.0015223000000000, -0.0005542800000000 ] - [ 0.0008567900000000, 0.0014488500000000, -0.0007531100000000 ] - [ 0.0026079100000000, 0.0030526500000000, 0.0005352500000000 ] - [ -0.0000030000000000, 0.0006672400000000, 0.0001004900000000 ] - [ 0.0005266100000000, 0.0008470900000000, -0.0000722900000000 ] - [ -0.0000327900000000, 0.0008285800000000, -0.0000865100000000 ] - [ 0.0002901800000000, 0.0003516200000000, -0.0000586300000000 ] - [ -0.0000665100000000, 0.0006503800000000, 0.0000905100000000 ] - [ -0.0000584700000000, 0.0008427200000000, 0.0005334900000000 ] - [ 0.0001179200000000, 0.0020799700000000, -0.0000926300000000 ] - [ 0.0002752400000000, 0.0007992500000000, -0.0007555100000000 ] - [ -0.0002074700000000, 0.0005774100000000, -0.0002760200000000 ] - [ -0.0002794100000000, 0.0011426700000000, 0.0011900000000000 ] - [ -0.0002898500000000, -0.0016334400000000, 0.0039231000000000 ] - [ 0.0000329000000000, 0.0042941000000000, -0.0005168300000000 ] - [ -0.0000576500000000, -0.0015447100000000, 0.0001564700000000 ] - [ 0.0003724100000000, 0.0001292600000000, -0.0001224500000000 ] - [ 0.0006228500000000, 0.0044125500000000, -0.0002822100000000 ] - [ -0.0014125000000000, 0.0011910400000000, -0.0024953000000000 ] - [ -0.0001548900000000, -0.0009386000000000, -0.0001867100000000 ] - [ -0.0004455900000000, -0.0004403300000000, -0.0008451700000000 ] - [ 0.0000806800000000, 0.0000786000000000, -0.0001858200000000 ] - [ -0.0000163100000000, -0.0003607300000000, -0.0008360600000000 ]- atom: 124 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001482300000000, 0.0006645500000000, -0.0000397500000000 ] - [ 0.0000019900000000, -0.0013019100000000, 0.0005214000000000 ] - [ 0.0006046200000000, 0.0003331400000000, -0.0006678200000000 ] - [ 0.0000339100000000, 0.0003055900000000, 0.0001062300000000 ] - [ 0.0000459000000000, -0.0019260400000000, -0.0001793500000000 ] - [ -0.0010371500000000, -0.0010374200000000, -0.0006895300000000 ] - [ -0.0002170000000000, -0.0006840500000000, -0.0003026600000000 ] - [ 0.0002341100000000, 0.0013266000000000, 0.0006637700000000 ] - [ 0.0000543800000000, 0.0006303100000000, -0.0000184800000000 ] - [ 0.0010864900000000, -0.0016687600000000, 0.0015115200000000 ] - [ 0.0000589900000000, 0.0010959500000000, 0.0000012400000000 ] - [ 0.0001834700000000, 0.0006404600000000, 0.0000587200000000 ] - [ 0.0003124600000000, 0.0002885600000000, 0.0006974600000000 ] - [ -0.0000668800000000, 0.0009511300000000, 0.0000769700000000 ] - [ -0.0000371000000000, -0.0012880100000000, 0.0002602700000000 ] - [ -0.0003046500000000, 0.0002609200000000, -0.0002699300000000 ] - [ -0.0009830600000000, -0.0012047800000000, 0.0005124800000000 ] - [ -0.0002445600000000, 0.0000037100000000, 0.0001742000000000 ] - [ -0.0009263300000000, 0.0002437800000000, 0.0003416800000000 ] - [ 0.0000397100000000, 0.0008329600000000, 0.0001235400000000 ] - [ 0.0009839300000000, 0.0011653000000000, -0.0019135300000000 ] - [ 0.0005002400000000, -0.0028787700000000, 0.0002947200000000 ] - [ -0.0001916100000000, 0.0004406100000000, -0.0001922200000000 ] - [ 0.0000363600000000, 0.0008469000000000, -0.0000411200000000 ] - [ 0.0010290500000000, 0.0035850200000000, 0.0001117900000000 ] - [ -0.0010882500000000, 0.0032636700000000, 0.0000889200000000 ] - [ -0.0011504600000000, 0.0043053700000000, -0.0012337300000000 ] - [ 0.0037427900000000, -0.0038940700000000, 0.0001622000000000 ] - [ -0.0000481200000000, -0.0015529700000000, 0.0009152500000000 ] - [ 0.0006102000000000, 0.0038821500000000, -0.0001539300000000 ] - [ 0.0080242600000000, -0.0319913100000000, 0.0037518200000000 ] - [ 0.0059983800000000, -0.0081248000000000, -0.0013408400000000 ] - [ -0.0001593600000000, 0.0008181400000000, -0.0002909100000000 ] - [ -0.0003319900000000, -0.0015921500000000, -0.0009183200000000 ] - [ -0.0000468700000000, 0.0010169300000000, 0.0002429900000000 ] - [ 0.0000870000000000, 0.0008466900000000, -0.0003292700000000 ] - [ -0.0004222700000000, 0.0007792600000000, 0.0005990100000000 ] - [ -0.0014230700000000, -0.0005089400000000, -0.0019111200000000 ] - [ 0.0003262500000000, -0.0138371300000000, -0.0009756700000000 ] - [ 0.0020653100000000, 0.0079636200000000, 0.0056210000000000 ] - [ -0.0002694300000000, 0.0027120300000000, -0.0001464100000000 ] - [ 0.0001978500000000, 0.0016672600000000, 0.0003053800000000 ] - [ -0.0001502100000000, -0.0014328300000000, -0.0010037900000000 ] - [ 0.0002793500000000, 0.0005525400000000, 0.0011793600000000 ] - [ 0.0000782400000000, 0.0012056800000000, 0.0012002200000000 ] - [ -0.0006445200000000, 0.0009961000000000, -0.0013402100000000 ] - [ 0.0000952200000000, 0.0017293400000000, 0.0001223700000000 ] - [ -0.0002231100000000, -0.0011411700000000, 0.0012555900000000 ] - [ -0.0002520800000000, 0.0008122500000000, -0.0000865200000000 ] - [ -0.0002123500000000, 0.0038677700000000, 0.0000351700000000 ] - [ 0.0012492200000000, 0.0010289200000000, -0.0010375200000000 ] - [ -0.0001493400000000, 0.0011730800000000, 0.0057025800000000 ] - [ -0.0034425500000000, 0.0021795800000000, 0.0019126700000000 ] - [ 0.0002450900000000, 0.0022552000000000, -0.0007804300000000 ] - [ 0.0000923800000000, -0.0015826100000000, -0.0000373600000000 ] - [ -0.0000295400000000, 0.0007432100000000, 0.0011044100000000 ] - [ -0.0000148500000000, -0.0011143100000000, -0.0001569100000000 ] - [ 0.0002421200000000, -0.0004835800000000, -0.0000108600000000 ] - [ 0.0015264100000000, 0.0052486100000000, -0.0001236400000000 ] - [ 0.0000162100000000, 0.0014594900000000, 0.0001020200000000 ] - [ -0.0004792500000000, 0.0005453800000000, 0.0003962500000000 ] - [ -0.0011349800000000, -0.0015967700000000, 0.0048838500000000 ] - [ 0.0000261200000000, 0.0014115000000000, 0.0001200000000000 ] - [ -0.0001479500000000, 0.0001098500000000, 0.0000558600000000 ] - [ 0.0001244700000000, 0.0001913200000000, 0.0001644700000000 ] - [ -0.0005780200000000, 0.0012485200000000, -0.0001519100000000 ] - [ -0.0019647100000000, -0.0002087200000000, -0.0057691300000000 ] - [ 0.0005088100000000, 0.0010578500000000, -0.0004235800000000 ] - [ 0.0013229500000000, -0.0007475300000000, 0.0005498200000000 ] - [ 0.0002355400000000, 0.0007995400000000, -0.0009223100000000 ] - [ -0.0001146200000000, 0.0000474900000000, -0.0002264000000000 ] - [ -0.0004753100000000, -0.0021059100000000, 0.0000799300000000 ] - [ -0.0000874600000000, -0.0010499400000000, 0.0012092400000000 ] - [ -0.0025240100000000, -0.0005439100000000, -0.0037142200000000 ] - [ -0.0001409800000000, 0.0002910300000000, -0.0008346600000000 ] - [ -0.0003290400000000, -0.0005872500000000, -0.0005850100000000 ] - [ -0.0000577700000000, -0.0005298400000000, -0.0000830800000000 ] - [ -0.0692573500000000, -0.0931287200000000, 0.0052687000000000 ] - [ 0.0001057900000000, 0.0005819900000000, 0.0001268800000000 ] - [ 0.0001044700000000, 0.0024962600000000, 0.0001146000000000 ] - [ 0.0011344900000000, 0.0055870500000000, 0.0002453600000000 ] - [ 0.0013830500000000, -0.0009901000000000, -0.0088113900000000 ] - [ -0.0002188100000000, -0.0005344900000000, 0.0006637700000000 ] - [ 0.0000004300000000, 0.0038086900000000, -0.0003115300000000 ] - [ 0.0000980900000000, -0.0025050700000000, -0.0001186700000000 ] - [ 0.0003920000000000, -0.0003699400000000, 0.0005094500000000 ] - [ 0.0015627500000000, -0.0001989300000000, 0.0009113200000000 ] - [ -0.0007035000000000, -0.0010140300000000, -0.0011714300000000 ] - [ 0.0000051500000000, 0.0012336100000000, 0.0028235500000000 ] - [ 0.0001380100000000, 0.0008287600000000, -0.0001002300000000 ] - [ -0.0004538200000000, 0.0004701000000000, -0.0007963600000000 ] - [ 0.0235420100000000, 0.0196437700000000, -0.0015857500000000 ] - [ -0.0003232400000000, -0.0002597700000000, 0.0000631900000000 ] - [ 0.0005331400000000, -0.0007420400000000, 0.0006909900000000 ] - [ 0.0009039200000000, -0.0027749900000000, -0.0005078800000000 ] - [ -0.0076288700000000, -0.0088680800000000, -0.0011361500000000 ] - [ -0.0000727800000000, -0.0016755000000000, 0.0000241400000000 ] - [ -0.0027975600000000, -0.0024936600000000, -0.0002030500000000 ] - [ -0.0009392400000000, 0.0005487100000000, 0.0008302400000000 ] - [ 0.0072466000000000, -0.0036708500000000, 0.0004745000000000 ] - [ 0.0001369400000000, -0.0005237000000000, -0.0009557800000000 ] - [ 0.0015615900000000, -0.0050195400000000, 0.0073178900000000 ] - [ 0.0004859100000000, -0.0007743300000000, 0.0011242600000000 ] - [ -0.0000085700000000, -0.0036142100000000, 0.0002080900000000 ] - [ 0.0000497400000000, -0.0015875100000000, -0.0002198700000000 ] - [ 0.0001847500000000, -0.0007220300000000, -0.0003993200000000 ] - [ -0.0005807900000000, 0.0002420300000000, 0.0005004400000000 ] - [ -0.0005051900000000, 0.0006946800000000, -0.0029913300000000 ] - [ 0.0014354800000000, -0.0009342500000000, -0.0020570200000000 ] - [ 0.0001608600000000, 0.0018173900000000, 0.0032117700000000 ] - [ -0.0007537400000000, 0.0014446800000000, 0.0011902200000000 ] - [ -0.0013255300000000, 0.0005118700000000, -0.0015493400000000 ] - [ 0.0000759700000000, -0.0005373900000000, 0.0002050800000000 ] - [ 0.0001483100000000, -0.0008542800000000, 0.0004289100000000 ] - [ -0.0002853800000000, -0.0011119400000000, 0.0000728900000000 ] - [ 0.0013232600000000, -0.0013073800000000, -0.0041241500000000 ] - [ 0.0003267700000000, 0.0000630800000000, -0.0003700400000000 ] - [ 0.0000503800000000, -0.0009101100000000, 0.0000164800000000 ] - [ 0.0000875900000000, 0.0010503700000000, 0.0000155400000000 ] - [ 0.0002174200000000, -0.0018034600000000, 0.0001985500000000 ] - [ -0.0002233400000000, -0.0013507800000000, -0.0000414400000000 ] - [ -0.0002760100000000, -0.0000763600000000, 0.0001361100000000 ] - [ -0.0475031000000000, -0.0330387700000000, 0.0022610600000000 ] - [ 0.0754377400000000, 0.1758727000000000, -0.0118303000000000 ] - [ -0.0001719500000000, -0.0001841300000000, -0.0000944700000000 ] - [ -0.0001969600000000, -0.0006823000000000, -0.0002938600000000 ] - [ -0.0002058000000000, 0.0017602500000000, -0.0001040400000000 ] - [ -0.0001255500000000, -0.0017519900000000, -0.0008097500000000 ] - [ 0.0020460200000000, 0.0003243300000000, -0.0004640900000000 ] - [ 0.0037436100000000, -0.0050723200000000, 0.0007856100000000 ] - [ 0.0009009900000000, 0.0006837500000000, 0.0076041900000000 ] - [ -0.0003300700000000, -0.0004085500000000, -0.0002064000000000 ] - [ -0.0000646000000000, -0.0011367200000000, -0.0000640700000000 ] - [ 0.0001015600000000, 0.0004592100000000, -0.0002154800000000 ] - [ -0.0005381800000000, -0.0014646200000000, 0.0002260500000000 ] - [ 0.0003345700000000, -0.0012289800000000, -0.0000621300000000 ] - [ 0.0004115600000000, 0.0002585900000000, -0.0000152900000000 ] - [ -0.0000800100000000, -0.0008242600000000, 0.0005204600000000 ] - [ 0.0001539100000000, 0.0010070900000000, -0.0002488300000000 ] - [ -0.0006156600000000, -0.0005895100000000, -0.0000625000000000 ] - [ -0.0002604200000000, 0.0009165300000000, 0.0001903600000000 ] - [ -0.0005717400000000, -0.0007274400000000, -0.0003875600000000 ] - [ 0.0002142000000000, 0.0010861800000000, -0.0000247100000000 ] - [ 0.0007812800000000, -0.0011806500000000, 0.0008115300000000 ] - [ -0.0001187800000000, -0.0001090600000000, 0.0001994300000000 ] - [ 0.0002053400000000, -0.0000582100000000, 0.0001862900000000 ] - [ -0.0001562100000000, -0.0009668600000000, 0.0003043300000000 ] - [ -0.0003485200000000, -0.0002251500000000, 0.0000241900000000 ] - [ -0.0002679800000000, -0.0012559400000000, -0.0000208000000000 ] - [ -0.0004128900000000, 0.0004675800000000, -0.0005268300000000 ] - [ -0.0003948800000000, 0.0017069500000000, -0.0004694700000000 ] - [ 0.0000551200000000, 0.0009268300000000, -0.0006921600000000 ] - [ 0.0027627900000000, 0.0011316900000000, -0.0049783800000000 ] - [ -0.0004439100000000, -0.0006487100000000, 0.0006117800000000 ] - [ -0.0013399600000000, -0.0015508400000000, 0.0010005500000000 ] - [ -0.0028635200000000, -0.0027984100000000, -0.0002030100000000 ] - [ 0.0002726200000000, -0.0014413900000000, 0.0001417200000000 ] - [ -0.0000350800000000, -0.0009150400000000, 0.0002870100000000 ] - [ 0.0003639800000000, -0.0013661200000000, -0.0004993800000000 ] - [ -0.0000122000000000, -0.0005908900000000, -0.0002705700000000 ] - [ 0.0001984000000000, -0.0006665200000000, -0.0009273900000000 ] - [ -0.0000930500000000, 0.0003423000000000, -0.0001957100000000 ] - [ -0.0003344200000000, -0.0017438800000000, -0.0000229200000000 ] - [ 0.0001167900000000, -0.0007295400000000, 0.0003427700000000 ] - [ -0.0002819300000000, -0.0004661900000000, 0.0005292500000000 ] - [ 0.0000442300000000, -0.0010038000000000, -0.0007599100000000 ] - [ 0.0001562200000000, 0.0016519800000000, -0.0030891600000000 ] - [ 0.0002274600000000, -0.0040620500000000, 0.0001855900000000 ] - [ 0.0002752500000000, 0.0012061800000000, -0.0000400900000000 ] - [ 0.0005912200000000, -0.0007171100000000, -0.0000090000000000 ] - [ -0.0015641200000000, -0.0037995000000000, 0.0004094700000000 ] - [ 0.0019573100000000, -0.0013638900000000, 0.0020078500000000 ] - [ -0.0001698200000000, 0.0010692400000000, -0.0001444600000000 ] - [ -0.0001251900000000, 0.0004175800000000, 0.0002607200000000 ] - [ 0.0003078200000000, -0.0009459100000000, 0.0002439600000000 ] - [ 0.0005780700000000, 0.0005472500000000, 0.0003621300000000 ]- atom: 124 displacement: [ -0.0035230240541542, 0.0000000000000000, 0.0093588621911988 ] forces: - [ 0.0001051400000000, -0.0000671400000000, 0.0000821900000000 ] - [ -0.0011526200000000, -0.0003035500000000, -0.0013365700000000 ] - [ 0.0003293500000000, 0.0005125900000000, -0.0003685700000000 ] - [ 0.0000596900000000, -0.0003496300000000, 0.0001426200000000 ] - [ 0.0002388200000000, -0.0001447300000000, -0.0014578400000000 ] - [ 0.0004956800000000, -0.0007713600000000, 0.0009575800000000 ] - [ -0.0001914500000000, 0.0000835100000000, -0.0003770300000000 ] - [ 0.0004200200000000, -0.0002339100000000, 0.0000884300000000 ] - [ 0.0000247800000000, -0.0000875100000000, -0.0001102000000000 ] - [ -0.0015620600000000, -0.0005654500000000, -0.0010090200000000 ] - [ 0.0000399000000000, 0.0003210800000000, 0.0001537200000000 ] - [ 0.0000983800000000, -0.0001991800000000, 0.0000944300000000 ] - [ 0.0003979200000000, -0.0006418100000000, -0.0002234700000000 ] - [ 0.0000173600000000, -0.0000191000000000, -0.0000257100000000 ] - [ 0.0011011500000000, -0.0001167100000000, -0.0003926600000000 ] - [ -0.0003326100000000, 0.0001362400000000, -0.0000947100000000 ] - [ 0.0008181900000000, -0.0007577900000000, -0.0008480300000000 ] - [ -0.0005615300000000, -0.0002868100000000, -0.0003011200000000 ] - [ 0.0003082300000000, -0.0001061500000000, 0.0001055900000000 ] - [ 0.0000722300000000, 0.0002115600000000, -0.0000321400000000 ] - [ 0.0004390600000000, 0.0007866000000000, -0.0003891400000000 ] - [ -0.0011755700000000, 0.0002339100000000, 0.0033721900000000 ] - [ -0.0002285000000000, 0.0001042400000000, 0.0002342900000000 ] - [ 0.0000834800000000, 0.0001489100000000, 0.0000834900000000 ] - [ -0.0001241700000000, -0.0002345700000000, 0.0006369200000000 ] - [ 0.0003988700000000, -0.0004732300000000, 0.0004249300000000 ] - [ -0.0007619000000000, -0.0000418000000000, 0.0017941200000000 ] - [ 0.0014365700000000, 0.0006351100000000, 0.0013823200000000 ] - [ 0.0003746400000000, 0.0000870000000000, -0.0027156800000000 ] - [ -0.0000361600000000, -0.0000607500000000, -0.0002073700000000 ] - [ -0.0033717800000000, -0.0033477800000000, 0.0121706500000000 ] - [ 0.0054079000000000, 0.0041505900000000, -0.0002973900000000 ] - [ -0.0001579300000000, 0.0006599100000000, -0.0003270500000000 ] - [ -0.0002599500000000, 0.0000998600000000, -0.0013395700000000 ] - [ -0.0001017200000000, -0.0002859200000000, -0.0002101900000000 ] - [ 0.0001935500000000, -0.0002566400000000, -0.0006966900000000 ] - [ 0.0005732900000000, -0.0000840200000000, -0.0007722900000000 ] - [ 0.0004683700000000, 0.0000137900000000, 0.0002180800000000 ] - [ -0.0094740800000000, 0.0029176600000000, 0.0125844900000000 ] - [ -0.0028093000000000, 0.0012768000000000, 0.0026035700000000 ] - [ -0.0000530900000000, -0.0001178400000000, 0.0002039000000000 ] - [ 0.0002793700000000, 0.0001803200000000, 0.0002306400000000 ] - [ -0.0003623300000000, 0.0000859400000000, -0.0014585300000000 ] - [ -0.0001633100000000, 0.0000929200000000, 0.0000911100000000 ] - [ 0.0000943600000000, -0.0003539700000000, 0.0000182400000000 ] - [ -0.0000606200000000, 0.0008404300000000, -0.0005605800000000 ] - [ 0.0000243200000000, 0.0002734300000000, -0.0000435900000000 ] - [ 0.0003789100000000, 0.0000554700000000, -0.0013598200000000 ] - [ -0.0001580600000000, -0.0002892900000000, -0.0000366300000000 ] - [ -0.0003068000000000, -0.0003338500000000, 0.0002417200000000 ] - [ 0.0003643700000000, 0.0001445800000000, -0.0002960100000000 ] - [ 0.0003497300000000, -0.0005670300000000, -0.0024790200000000 ] - [ 0.0013222800000000, -0.0003060600000000, -0.0006671300000000 ] - [ -0.0000825400000000, 0.0012389500000000, -0.0002936300000000 ] - [ 0.0000236200000000, -0.0002684500000000, -0.0000283500000000 ] - [ -0.0000290500000000, -0.0003606900000000, -0.0002201300000000 ] - [ 0.0003178200000000, 0.0005251700000000, -0.0004075300000000 ] - [ -0.0000840500000000, -0.0004255200000000, -0.0001842200000000 ] - [ -0.0005923000000000, 0.0008460800000000, -0.0003564200000000 ] - [ 0.0000109700000000, -0.0003867900000000, 0.0001182500000000 ] - [ -0.0001478400000000, 0.0000212800000000, -0.0004185100000000 ] - [ -0.0007184900000000, -0.0014939000000000, -0.0033711800000000 ] - [ 0.0000031300000000, 0.0002957500000000, 0.0000932700000000 ] - [ -0.0001593700000000, -0.0002765900000000, 0.0000333400000000 ] - [ -0.0000636700000000, -0.0001268100000000, -0.0002344900000000 ] - [ 0.0001188600000000, -0.0000358400000000, 0.0000082400000000 ] - [ -0.0011874500000000, 0.0015815700000000, -0.0004700900000000 ] - [ 0.0000958200000000, 0.0003263600000000, -0.0003066200000000 ] - [ -0.0005152000000000, 0.0012301300000000, 0.0014070800000000 ] - [ 0.0001814500000000, 0.0002568200000000, -0.0000729300000000 ] - [ 0.0008768800000000, 0.0005686900000000, 0.0003154700000000 ] - [ 0.0022976000000000, 0.0002400100000000, -0.0001927700000000 ] - [ 0.0000093800000000, -0.0002580300000000, 0.0000626900000000 ] - [ -0.0019256200000000, -0.0002007300000000, -0.0016391600000000 ] - [ 0.0000990800000000, 0.0000555600000000, -0.0004024200000000 ] - [ 0.0001054100000000, 0.0009240600000000, -0.0011565600000000 ] - [ 0.0002186100000000, -0.0002684100000000, -0.0001798100000000 ] - [ -0.1023113300000000, -0.0288696600000000, 0.0563427100000000 ] - [ 0.0000325900000000, -0.0001269600000000, 0.0000333900000000 ] - [ -0.0002129200000000, 0.0002068100000000, -0.0000205000000000 ] - [ -0.0020711500000000, 0.0001907300000000, -0.0021661200000000 ] - [ -0.0003956700000000, 0.0022241000000000, 0.0029109300000000 ] - [ -0.0003127500000000, -0.0002594000000000, 0.0003370500000000 ] - [ -0.0022206600000000, 0.0003184500000000, 0.0000818500000000 ] - [ 0.0000882200000000, -0.0000365100000000, 0.0000844600000000 ] - [ 0.0002457400000000, 0.0000007500000000, 0.0002248900000000 ] - [ 0.0016492600000000, -0.0005566500000000, -0.0000072200000000 ] - [ -0.0002547600000000, -0.0001022100000000, -0.0002951100000000 ] - [ 0.0000063800000000, 0.0000106300000000, 0.0014533700000000 ] - [ 0.0002831700000000, -0.0003561400000000, 0.0003240800000000 ] - [ 0.0002006200000000, 0.0000686400000000, -0.0000475300000000 ] - [ -0.0323765600000000, 0.0039708000000000, -0.0140507600000000 ] - [ -0.0003702100000000, 0.0003544600000000, 0.0004647400000000 ] - [ 0.0002805800000000, -0.0001114900000000, 0.0002798600000000 ] - [ -0.0003823500000000, -0.0000559500000000, 0.0003341000000000 ] - [ 0.0016072400000000, -0.0023815200000000, -0.0026402300000000 ] - [ 0.0002274700000000, 0.0003905500000000, 0.0000931600000000 ] - [ -0.0003040900000000, -0.0024129900000000, -0.0004946600000000 ] - [ -0.0015670500000000, -0.0006349600000000, -0.0004303600000000 ] - [ -0.0018729600000000, 0.0022299100000000, -0.0005871900000000 ] - [ 0.0000660600000000, 0.0000490200000000, -0.0002645200000000 ] - [ 0.0016920500000000, -0.0034233200000000, -0.0018160900000000 ] - [ 0.0002206800000000, -0.0000678500000000, 0.0002069200000000 ] - [ -0.0000034100000000, -0.0002511300000000, 0.0001328900000000 ] - [ 0.0001162600000000, -0.0005215500000000, -0.0001440800000000 ] - [ -0.0001972100000000, 0.0001540000000000, 0.0001414300000000 ] - [ -0.0013889600000000, -0.0007483900000000, 0.0009147600000000 ] - [ 0.0003764800000000, 0.0003610800000000, 0.0009930100000000 ] - [ -0.0006311700000000, 0.0004602700000000, 0.0010755100000000 ] - [ 0.0008927300000000, -0.0008775900000000, 0.0015349200000000 ] - [ -0.0008563900000000, -0.0011602500000000, 0.0015807100000000 ] - [ 0.0008547100000000, -0.0001961800000000, -0.0005700400000000 ] - [ 0.0001512800000000, 0.0002187600000000, -0.0002134900000000 ] - [ 0.0000415700000000, 0.0000334400000000, 0.0005008800000000 ] - [ -0.0001654000000000, -0.0001575600000000, 0.0004429000000000 ] - [ 0.0017324700000000, 0.0035554400000000, 0.0003203100000000 ] - [ 0.0000368200000000, 0.0001955700000000, 0.0003255400000000 ] - [ 0.0001535500000000, 0.0000425300000000, 0.0002127500000000 ] - [ 0.0001260400000000, -0.0002811600000000, 0.0001631700000000 ] - [ 0.0000904700000000, 0.0000882000000000, 0.0000972200000000 ] - [ -0.0002501200000000, 0.0004336100000000, -0.0000758900000000 ] - [ -0.0003146200000000, -0.0000619900000000, 0.0002411400000000 ] - [ -0.0058933500000000, -0.0150360500000000, -0.0159213600000000 ] - [ 0.1533332900000000, 0.0372746700000000, -0.0486864500000000 ] - [ -0.0000356300000000, -0.0002201500000000, 0.0004271700000000 ] - [ -0.0001398100000000, 0.0000153300000000, 0.0000152800000000 ] - [ -0.0014667900000000, 0.0000156200000000, -0.0003769800000000 ] - [ 0.0002041800000000, 0.0000750200000000, -0.0002862500000000 ] - [ -0.0004245600000000, 0.0001281800000000, 0.0000174400000000 ] - [ -0.0000187900000000, 0.0011961500000000, -0.0004404800000000 ] - [ 0.0025422500000000, -0.0033182300000000, 0.0021406700000000 ] - [ -0.0002555900000000, -0.0000153500000000, 0.0001579800000000 ] - [ -0.0001098900000000, -0.0001405000000000, -0.0000270100000000 ] - [ 0.0000349300000000, 0.0004232700000000, 0.0000999000000000 ] - [ -0.0001604200000000, -0.0003295300000000, -0.0000792100000000 ] - [ 0.0000476700000000, 0.0006043800000000, -0.0002206600000000 ] - [ 0.0007355600000000, -0.0000669800000000, 0.0002527400000000 ] - [ 0.0001576300000000, -0.0000911100000000, -0.0001282900000000 ] - [ -0.0002487400000000, 0.0005926000000000, 0.0002008800000000 ] - [ -0.0005427000000000, -0.0001214100000000, 0.0000595000000000 ] - [ -0.0002062100000000, -0.0007266300000000, 0.0007064400000000 ] - [ -0.0002429800000000, 0.0000521100000000, 0.0000027500000000 ] - [ 0.0001106100000000, 0.0000169500000000, -0.0001392800000000 ] - [ -0.0001726700000000, 0.0000387900000000, 0.0000285400000000 ] - [ -0.0001148900000000, 0.0005105200000000, 0.0002147400000000 ] - [ -0.0006360500000000, -0.0002819100000000, -0.0001519500000000 ] - [ -0.0001255400000000, -0.0000239600000000, 0.0002373900000000 ] - [ -0.0005871300000000, -0.0001636500000000, 0.0003780900000000 ] - [ -0.0002978000000000, -0.0003607300000000, 0.0000289900000000 ] - [ -0.0001632500000000, -0.0002581000000000, -0.0002265500000000 ] - [ -0.0007162100000000, -0.0009251500000000, -0.0020338400000000 ] - [ 0.0002586800000000, 0.0001124800000000, 0.0003550000000000 ] - [ -0.0022785800000000, 0.0038731400000000, 0.0014614400000000 ] - [ -0.0002006800000000, 0.0001025600000000, 0.0000588700000000 ] - [ -0.0002356600000000, -0.0002197600000000, -0.0000126100000000 ] - [ -0.0000723700000000, -0.0000894800000000, 0.0001850800000000 ] - [ 0.0001569100000000, -0.0003436900000000, 0.0001543900000000 ] - [ 0.0001842600000000, -0.0000608500000000, -0.0000777000000000 ] - [ 0.0001645200000000, -0.0003354400000000, -0.0004269800000000 ] - [ 0.0001303200000000, -0.0001435400000000, 0.0001302100000000 ] - [ -0.0000092900000000, 0.0001098400000000, -0.0005446500000000 ] - [ 0.0000633700000000, 0.0007062300000000, 0.0002446600000000 ] - [ -0.0001007200000000, 0.0002754500000000, -0.0000975900000000 ] - [ 0.0002491300000000, -0.0000091200000000, -0.0002268400000000 ] - [ -0.0002154800000000, -0.0001074600000000, 0.0002718100000000 ] - [ -0.0000402800000000, 0.0000977800000000, 0.0002093500000000 ] - [ -0.0001538900000000, 0.0002879700000000, 0.0031540100000000 ] - [ 0.0012265600000000, 0.0006309300000000, -0.0006573200000000 ] - [ -0.0002036400000000, -0.0003128100000000, 0.0005808100000000 ] - [ 0.0004979400000000, -0.0003081200000000, 0.0001330900000000 ] - [ 0.0003859500000000, 0.0008552500000000, -0.0003119200000000 ] - [ 0.0011668600000000, -0.0011424600000000, 0.0001127400000000 ] - [ -0.0003079200000000, -0.0002311100000000, 0.0002601100000000 ] - [ -0.0003552600000000, -0.0001964300000000, 0.0009718600000000 ] - [ 0.0002105500000000, -0.0005268000000000, 0.0001465800000000 ] - [ -0.0000045200000000, -0.0004526000000000, 0.0000656400000000 ]- atom: 124 displacement: [ 0.0035230240541542, 0.0000000000000000, -0.0093588621911988 ] forces: - [ 0.0000850700000000, -0.0001570800000000, 0.0001080800000000 ] - [ 0.0010261700000000, 0.0007598100000000, 0.0012980800000000 ] - [ 0.0002907300000000, -0.0005278300000000, 0.0002294900000000 ] - [ 0.0000319700000000, -0.0003215500000000, 0.0001324000000000 ] - [ -0.0003258900000000, -0.0005219100000000, 0.0011761700000000 ] - [ -0.0006895400000000, 0.0005529800000000, -0.0011560400000000 ] - [ 0.0000008700000000, 0.0001404100000000, 0.0001902200000000 ] - [ 0.0004542300000000, 0.0005755800000000, 0.0001367200000000 ] - [ 0.0000367400000000, -0.0000288600000000, -0.0000093500000000 ] - [ 0.0014922900000000, 0.0006792200000000, 0.0011291100000000 ] - [ 0.0000516100000000, 0.0003478700000000, 0.0001226900000000 ] - [ 0.0000370500000000, -0.0002507200000000, -0.0000440400000000 ] - [ 0.0004763200000000, 0.0003026400000000, 0.0004483800000000 ] - [ 0.0000444000000000, 0.0001335500000000, -0.0000956300000000 ] - [ -0.0011715300000000, 0.0000049100000000, 0.0005152600000000 ] - [ -0.0002865700000000, -0.0001447200000000, 0.0002371600000000 ] - [ -0.0009545500000000, 0.0003150100000000, 0.0008030200000000 ] - [ -0.0003125200000000, -0.0000564800000000, 0.0000780500000000 ] - [ -0.0011854000000000, 0.0004506400000000, -0.0003340500000000 ] - [ 0.0000638500000000, 0.0002357100000000, 0.0000842400000000 ] - [ 0.0001817400000000, -0.0007815800000000, 0.0002580400000000 ] - [ 0.0012622200000000, 0.0005797600000000, -0.0039505400000000 ] - [ -0.0003906900000000, -0.0000966700000000, -0.0000946800000000 ] - [ 0.0001070300000000, 0.0000721100000000, 0.0001057300000000 ] - [ 0.0006183400000000, -0.0001047100000000, 0.0002521400000000 ] - [ -0.0002970900000000, -0.0000174200000000, -0.0001527600000000 ] - [ 0.0003561300000000, -0.0009893700000000, -0.0011308200000000 ] - [ -0.0019365000000000, -0.0009635200000000, -0.0022873500000000 ] - [ -0.0004763700000000, 0.0004014000000000, 0.0024587400000000 ] - [ 0.0002146800000000, 0.0003831600000000, -0.0006366600000000 ] - [ 0.0031448400000000, 0.0038274500000000, -0.0113707300000000 ] - [ -0.0053512500000000, -0.0037793700000000, 0.0003571400000000 ] - [ -0.0002510200000000, 0.0003669800000000, 0.0010054300000000 ] - [ -0.0002347800000000, 0.0002354900000000, 0.0004508800000000 ] - [ -0.0000071500000000, -0.0000809800000000, 0.0001468100000000 ] - [ -0.0000155100000000, -0.0000671200000000, -0.0001447000000000 ] - [ -0.0002204600000000, 0.0002686800000000, 0.0006594200000000 ] - [ -0.0000618900000000, -0.0010397700000000, -0.0008795300000000 ] - [ 0.0093634900000000, -0.0032467800000000, -0.0128954700000000 ] - [ 0.0031758100000000, -0.0014966500000000, -0.0027691400000000 ] - [ -0.0000556200000000, 0.0004827600000000, -0.0002687000000000 ] - [ 0.0002150500000000, 0.0001466900000000, 0.0006601700000000 ] - [ 0.0004747300000000, -0.0004554800000000, 0.0015336300000000 ] - [ -0.0001888200000000, 0.0000967000000000, 0.0000217600000000 ] - [ -0.0004461200000000, 0.0001656000000000, 0.0001011300000000 ] - [ 0.0004691300000000, 0.0001800300000000, -0.0001089500000000 ] - [ 0.0000751000000000, 0.0002056400000000, 0.0003187900000000 ] - [ -0.0005600300000000, -0.0003825800000000, 0.0022114000000000 ] - [ -0.0001877000000000, -0.0001930000000000, -0.0000052600000000 ] - [ 0.0003620700000000, 0.0006905200000000, -0.0000849600000000 ] - [ 0.0000579100000000, -0.0000586700000000, -0.0004091200000000 ] - [ -0.0000569800000000, 0.0004140500000000, 0.0030212600000000 ] - [ -0.0009210900000000, 0.0009938100000000, 0.0004517800000000 ] - [ -0.0003263300000000, -0.0005681400000000, 0.0005198400000000 ] - [ 0.0003222000000000, -0.0002128500000000, 0.0000706400000000 ] - [ 0.0003111300000000, -0.0003994300000000, -0.0002451500000000 ] - [ -0.0002939500000000, 0.0000707300000000, 0.0001974900000000 ] - [ 0.0004921200000000, -0.0002571200000000, -0.0000347900000000 ] - [ 0.0005333300000000, -0.0004745500000000, 0.0001982700000000 ] - [ -0.0000351100000000, -0.0002120900000000, 0.0000945400000000 ] - [ -0.0001434600000000, 0.0001318300000000, -0.0001244200000000 ] - [ 0.0010135300000000, 0.0016682200000000, 0.0039273100000000 ] - [ -0.0000274300000000, 0.0002996200000000, 0.0001195900000000 ] - [ -0.0002470200000000, -0.0004111100000000, 0.0001854000000000 ] - [ -0.0002287300000000, -0.0000260700000000, -0.0003131500000000 ] - [ 0.0001405100000000, -0.0002297100000000, -0.0001462200000000 ] - [ 0.0009365200000000, -0.0013348700000000, 0.0006002300000000 ] - [ 0.0001852600000000, 0.0004305800000000, -0.0001535200000000 ] - [ 0.0002333900000000, -0.0004744500000000, -0.0009530800000000 ] - [ 0.0000775100000000, 0.0000052100000000, -0.0000597500000000 ] - [ -0.0013110200000000, -0.0006611400000000, 0.0003862000000000 ] - [ -0.0019567700000000, 0.0002426500000000, 0.0002332200000000 ] - [ -0.0002920100000000, -0.0005024300000000, 0.0004026900000000 ] - [ 0.0014996600000000, 0.0002879200000000, 0.0023477600000000 ] - [ 0.0003263000000000, -0.0001436100000000, -0.0002989500000000 ] - [ -0.0003639300000000, -0.0011933600000000, 0.0013057600000000 ] - [ -0.0002757600000000, -0.0000917000000000, 0.0000232100000000 ] - [ 0.1006464800000000, 0.0274700700000000, -0.0575368700000000 ] - [ 0.0000231200000000, -0.0002404600000000, 0.0001237600000000 ] - [ -0.0001329500000000, 0.0002717000000000, -0.0000217600000000 ] - [ 0.0026366500000000, 0.0005743200000000, 0.0022265600000000 ] - [ 0.0002532500000000, -0.0022228400000000, -0.0020427300000000 ] - [ -0.0002684600000000, 0.0000384100000000, 0.0001111700000000 ] - [ 0.0019135800000000, 0.0004044100000000, -0.0003245900000000 ] - [ 0.0000021800000000, 0.0000089800000000, 0.0005795500000000 ] - [ 0.0002038400000000, 0.0000714400000000, -0.0000601500000000 ] - [ -0.0012124600000000, 0.0004882900000000, -0.0002331500000000 ] - [ -0.0002708300000000, 0.0001802700000000, 0.0000952300000000 ] - [ -0.0003795300000000, -0.0000997500000000, -0.0011087700000000 ] - [ 0.0002883500000000, -0.0004166400000000, -0.0002692900000000 ] - [ 0.0000663900000000, 0.0000680200000000, 0.0003493700000000 ] - [ 0.0320271100000000, -0.0028757400000000, 0.0141123800000000 ] - [ -0.0001110300000000, 0.0001414100000000, 0.0003804800000000 ] - [ 0.0003023300000000, 0.0000833600000000, 0.0003278600000000 ] - [ 0.0002338900000000, -0.0011468700000000, -0.0000036100000000 ] - [ -0.0013886000000000, 0.0012760800000000, 0.0022815900000000 ] - [ 0.0000910200000000, 0.0003431300000000, 0.0001512600000000 ] - [ 0.0004680700000000, 0.0012333900000000, 0.0001701100000000 ] - [ 0.0012045500000000, 0.0007267800000000, 0.0007887900000000 ] - [ 0.0014597100000000, -0.0013555200000000, 0.0005501900000000 ] - [ 0.0000690400000000, -0.0000310600000000, -0.0006108000000000 ] - [ -0.0022848300000000, 0.0034697700000000, 0.0012240900000000 ] - [ 0.0003619200000000, 0.0000995300000000, 0.0003961600000000 ] - [ -0.0002280300000000, -0.0008281700000000, 0.0002334900000000 ] - [ 0.0001104700000000, -0.0005349600000000, -0.0002080700000000 ] - [ -0.0000928400000000, -0.0000178700000000, 0.0000717400000000 ] - [ 0.0009511700000000, 0.0008279500000000, -0.0010902400000000 ] - [ 0.0001058500000000, 0.0001356800000000, -0.0018387400000000 ] - [ 0.0009193000000000, -0.0005951700000000, -0.0012898500000000 ] - [ -0.0012264700000000, 0.0014448800000000, -0.0009486000000000 ] - [ 0.0005372400000000, 0.0006085000000000, -0.0010072800000000 ] - [ -0.0003301300000000, 0.0001177000000000, 0.0007827400000000 ] - [ 0.0001726800000000, 0.0003378800000000, -0.0003828900000000 ] - [ 0.0000490600000000, -0.0000025600000000, 0.0001601400000000 ] - [ -0.0003175200000000, -0.0003373600000000, 0.0003999400000000 ] - [ -0.0014552500000000, -0.0034580000000000, -0.0005279800000000 ] - [ 0.0004899000000000, -0.0001200800000000, -0.0001237000000000 ] - [ 0.0001547300000000, 0.0000203500000000, 0.0001221300000000 ] - [ -0.0004456200000000, -0.0004507100000000, -0.0004089100000000 ] - [ 0.0002173400000000, -0.0001478900000000, 0.0002375000000000 ] - [ -0.0003207500000000, 0.0003402900000000, 0.0000207600000000 ] - [ 0.0000117700000000, -0.0001446100000000, 0.0000955600000000 ] - [ 0.0057657800000000, 0.0150936200000000, 0.0154136100000000 ] - [ -0.1516392300000000, -0.0366763500000000, 0.0506223000000000 ] - [ -0.0003872700000000, -0.0006687200000000, -0.0004728500000000 ] - [ -0.0001259800000000, -0.0001495900000000, -0.0003202800000000 ] - [ 0.0013861300000000, -0.0000459900000000, -0.0002881100000000 ] - [ -0.0004708300000000, 0.0000624400000000, -0.0000129800000000 ] - [ 0.0013885900000000, 0.0000334000000000, 0.0001135500000000 ] - [ 0.0009191400000000, -0.0006316600000000, 0.0003149600000000 ] - [ -0.0029768400000000, 0.0032097900000000, -0.0022964800000000 ] - [ -0.0000342800000000, -0.0001210100000000, 0.0000573300000000 ] - [ -0.0000752500000000, -0.0001826200000000, -0.0000974100000000 ] - [ 0.0001148800000000, 0.0007817800000000, -0.0004327700000000 ] - [ -0.0008036300000000, 0.0004994800000000, -0.0000507300000000 ] - [ 0.0001785300000000, 0.0004561700000000, -0.0001315700000000 ] - [ 0.0002251100000000, -0.0000981700000000, -0.0001231400000000 ] - [ 0.0002169800000000, 0.0000054400000000, -0.0002184200000000 ] - [ 0.0004819100000000, 0.0004906600000000, -0.0005683700000000 ] - [ -0.0004187200000000, -0.0000399500000000, -0.0001897400000000 ] - [ -0.0000199900000000, -0.0003316300000000, -0.0003581100000000 ] - [ -0.0002832300000000, -0.0001271500000000, -0.0002084100000000 ] - [ -0.0002015700000000, 0.0000144200000000, -0.0005237200000000 ] - [ -0.0004092800000000, 0.0001845200000000, 0.0004241000000000 ] - [ -0.0001165300000000, 0.0005789900000000, 0.0001513200000000 ] - [ 0.0010730600000000, 0.0003514600000000, -0.0000848900000000 ] - [ -0.0001073900000000, -0.0001394100000000, 0.0002040100000000 ] - [ -0.0003245800000000, -0.0003851900000000, -0.0002566200000000 ] - [ -0.0002730000000000, -0.0004096900000000, -0.0000850700000000 ] - [ 0.0004325800000000, 0.0001215300000000, 0.0005349500000000 ] - [ 0.0009521300000000, 0.0007573300000000, 0.0016048400000000 ] - [ -0.0000243700000000, 0.0000535300000000, -0.0008023700000000 ] - [ 0.0027919300000000, -0.0044125100000000, -0.0023063600000000 ] - [ 0.0006273100000000, 0.0007879400000000, -0.0000198000000000 ] - [ -0.0001931300000000, 0.0001571100000000, 0.0002505000000000 ] - [ -0.0002332100000000, 0.0002906400000000, 0.0001517300000000 ] - [ 0.0001611100000000, -0.0003850700000000, 0.0000891000000000 ] - [ 0.0002661800000000, -0.0000098800000000, 0.0002466900000000 ] - [ 0.0001590800000000, -0.0002174400000000, -0.0001650300000000 ] - [ 0.0001742300000000, -0.0000580100000000, -0.0004678100000000 ] - [ 0.0001443100000000, -0.0001267200000000, -0.0003259200000000 ] - [ -0.0002137000000000, 0.0004932600000000, 0.0000875100000000 ] - [ -0.0000835000000000, 0.0000511700000000, -0.0000266300000000 ] - [ 0.0001251100000000, 0.0000978100000000, -0.0001232500000000 ] - [ -0.0002135600000000, 0.0001737500000000, -0.0000380600000000 ] - [ -0.0001931000000000, 0.0000683800000000, 0.0002356400000000 ] - [ 0.0000201600000000, -0.0002791300000000, -0.0022879600000000 ] - [ -0.0009271800000000, -0.0004153900000000, 0.0003223500000000 ] - [ 0.0003887900000000, -0.0000120300000000, -0.0004589100000000 ] - [ 0.0004144100000000, -0.0002360800000000, -0.0002576700000000 ] - [ -0.0012958700000000, -0.0003096200000000, 0.0004387800000000 ] - [ -0.0005901000000000, 0.0009293000000000, -0.0005623200000000 ] - [ -0.0000000200000000, 0.0002946300000000, -0.0005975000000000 ] - [ -0.0002292800000000, 0.0001654400000000, -0.0015901800000000 ] - [ 0.0002103100000000, -0.0003568500000000, -0.0001045100000000 ] - [ 0.0005867200000000, 0.0006750900000000, -0.0005218700000000 ]- atom: 129 displacement: [ 0.0099999639143206, 0.0000000000000000, -0.0000268647033593 ] forces: - [ 0.0001482000000000, -0.0005968100000000, -0.0000407500000000 ] - [ -0.0001455600000000, 0.0003757000000000, 0.0000634500000000 ] - [ -0.0003435700000000, 0.0003217400000000, 0.0000387000000000 ] - [ 0.0002062500000000, -0.0002782800000000, 0.0001593100000000 ] - [ -0.0003001300000000, -0.0000908800000000, -0.0002774300000000 ] - [ 0.0040118300000000, 0.0012796900000000, 0.0006033000000000 ] - [ 0.0000205400000000, -0.0002085200000000, 0.0002197500000000 ] - [ -0.0018282200000000, -0.0009156600000000, -0.0018902800000000 ] - [ -0.0002472200000000, -0.0002409900000000, -0.0002993200000000 ] - [ -0.0014817700000000, -0.0004163900000000, 0.0008745000000000 ] - [ -0.0000386900000000, 0.0003128300000000, 0.0000761400000000 ] - [ 0.0001464900000000, -0.0006696400000000, 0.0002048400000000 ] - [ 0.0004137200000000, -0.0003372500000000, 0.0000970700000000 ] - [ -0.0000722700000000, -0.0000790300000000, -0.0000012000000000 ] - [ 0.0002468200000000, -0.0006017500000000, -0.0004419200000000 ] - [ -0.0003483600000000, -0.0001890600000000, 0.0001337100000000 ] - [ 0.0025723200000000, 0.0015910900000000, -0.0013185700000000 ] - [ -0.0009475000000000, 0.0001869900000000, 0.0005748000000000 ] - [ -0.0003208800000000, -0.0002038700000000, -0.0002973700000000 ] - [ 0.0002902700000000, 0.0003389300000000, 0.0000749000000000 ] - [ 0.0002384400000000, -0.0001212100000000, -0.0000981000000000 ] - [ -0.0015779000000000, 0.0001896400000000, -0.0007295000000000 ] - [ 0.0017557000000000, 0.0022281600000000, -0.0009794600000000 ] - [ 0.0000509700000000, -0.0001198600000000, 0.0004452500000000 ] - [ -0.0003168700000000, -0.0014378700000000, 0.0003322500000000 ] - [ 0.0003714300000000, -0.0010520400000000, 0.0000552100000000 ] - [ -0.0090296800000000, -0.0068605200000000, 0.0080146800000000 ] - [ 0.0250713700000000, 0.0118926900000000, 0.0007807300000000 ] - [ -0.0000351600000000, 0.0000683600000000, -0.0004088700000000 ] - [ -0.0019915200000000, 0.0035798500000000, -0.0008329100000000 ] - [ -0.0025501400000000, -0.0013626200000000, -0.0002132000000000 ] - [ 0.0032883300000000, 0.0001113200000000, -0.0005683900000000 ] - [ -0.0000418700000000, 0.0000680000000000, 0.0003619100000000 ] - [ -0.0002482300000000, -0.0000305000000000, -0.0002028500000000 ] - [ -0.0000031400000000, -0.0005268500000000, 0.0000852100000000 ] - [ 0.0000647600000000, -0.0005252200000000, -0.0004496800000000 ] - [ 0.0016389000000000, 0.0011329800000000, -0.0003267200000000 ] - [ 0.0004127100000000, -0.0020398300000000, 0.0001972900000000 ] - [ -0.0152332100000000, 0.0077102200000000, -0.0012596700000000 ] - [ 0.0000618400000000, -0.0004349300000000, 0.0000626900000000 ] - [ 0.0015023100000000, -0.0093624300000000, 0.0021493700000000 ] - [ 0.0002243700000000, 0.0002057800000000, 0.0003232500000000 ] - [ 0.0003664900000000, 0.0002555100000000, 0.0023167900000000 ] - [ -0.0001608000000000, -0.0003339000000000, 0.0001421800000000 ] - [ 0.0132249300000000, 0.0111484900000000, 0.0037594500000000 ] - [ 0.0023383700000000, 0.0018864000000000, 0.0009737300000000 ] - [ 0.0000137000000000, 0.0002917000000000, 0.0009727600000000 ] - [ 0.0000851900000000, 0.0003411300000000, -0.0013827700000000 ] - [ -0.0001065000000000, -0.0005133900000000, -0.0000433900000000 ] - [ -0.0001817100000000, -0.0003889900000000, 0.0000694400000000 ] - [ -0.0018133300000000, -0.0009516400000000, -0.0008423700000000 ] - [ -0.0006493700000000, -0.0000448000000000, -0.0020841600000000 ] - [ 0.1836483300000000, 0.0830578000000000, 0.0060770500000000 ] - [ 0.0000601300000000, -0.0002022300000000, 0.0002551100000000 ] - [ 0.0003494000000000, 0.0000674800000000, 0.0001104500000000 ] - [ 0.0002704900000000, -0.0005907400000000, -0.0002177700000000 ] - [ 0.0000741300000000, 0.0004932500000000, -0.0001648000000000 ] - [ 0.0002168800000000, -0.0005993600000000, -0.0000021900000000 ] - [ -0.0080072100000000, 0.0012060500000000, -0.0008159600000000 ] - [ 0.0006078300000000, 0.0001907900000000, 0.0000270800000000 ] - [ -0.0018408600000000, 0.0012804100000000, 0.0002614900000000 ] - [ -0.0005436800000000, -0.0002223700000000, -0.0001049700000000 ] - [ -0.0000298900000000, 0.0000875300000000, 0.0001393100000000 ] - [ -0.0001991100000000, 0.0002016400000000, 0.0005143700000000 ] - [ -0.0002416000000000, -0.0002024500000000, -0.0001551900000000 ] - [ 0.0016568500000000, -0.0011997700000000, 0.0013474100000000 ] - [ -0.0001309800000000, 0.0013677900000000, 0.0026615100000000 ] - [ 0.0011850200000000, 0.0015910500000000, -0.0027941200000000 ] - [ -0.0000089100000000, 0.0002962300000000, 0.0003178800000000 ] - [ 0.0000421000000000, -0.0001536200000000, -0.0000328800000000 ] - [ 0.0018313300000000, 0.0031561700000000, -0.0065851900000000 ] - [ 0.0027146000000000, -0.0029982100000000, 0.0001514600000000 ] - [ 0.0055837700000000, -0.0012330800000000, 0.0070090700000000 ] - [ -0.0003224000000000, -0.0001006100000000, 0.0007278900000000 ] - [ 0.0003193600000000, -0.0002350100000000, -0.0006397300000000 ] - [ 0.0000326600000000, 0.0000137800000000, 0.0000251100000000 ] - [ -0.0000414100000000, -0.0004717500000000, -0.0000870600000000 ] - [ -0.0015176500000000, 0.0011640500000000, 0.0000453100000000 ] - [ -0.0000399600000000, 0.0001616300000000, -0.0000556700000000 ] - [ -0.0017631000000000, -0.0021160000000000, -0.0002282100000000 ] - [ 0.0008888500000000, 0.0079669700000000, -0.0012248500000000 ] - [ 0.0016911100000000, -0.0008834900000000, 0.0032217300000000 ] - [ -0.0003063600000000, 0.0002062300000000, 0.0001292500000000 ] - [ -0.0052847000000000, 0.0049771400000000, -0.0002510200000000 ] - [ 0.0018828600000000, 0.0027260500000000, 0.0000235700000000 ] - [ 0.0002991800000000, 0.0001643200000000, 0.0002261200000000 ] - [ 0.0002940700000000, 0.0003621600000000, -0.0003253500000000 ] - [ -0.0003645000000000, 0.0003023700000000, -0.0001772900000000 ] - [ -0.0000510700000000, 0.0000780800000000, -0.0001767100000000 ] - [ 0.0000513400000000, -0.0004936300000000, 0.0002507800000000 ] - [ 0.0044930000000000, -0.0000027900000000, -0.0131188400000000 ] - [ 0.0005905700000000, -0.0025810100000000, 0.0001087600000000 ] - [ -0.0002137500000000, 0.0003835300000000, 0.0003797100000000 ] - [ -0.0005693300000000, 0.0000749400000000, -0.0012686700000000 ] - [ 0.0032652000000000, 0.0457919500000000, 0.0124707500000000 ] - [ 0.0105329300000000, -0.0032150300000000, -0.0002940700000000 ] - [ 0.0013380900000000, 0.0022444900000000, 0.0000328800000000 ] - [ -0.0001607200000000, 0.0000099200000000, -0.0001254900000000 ] - [ 0.0009615800000000, 0.0019870700000000, 0.0120194800000000 ] - [ 0.0673069700000000, 0.0084146500000000, -0.0131571700000000 ] - [ 0.0004834100000000, -0.0003983000000000, -0.0010845100000000 ] - [ 0.0024570300000000, -0.0011147700000000, -0.0032638300000000 ] - [ 0.0002860400000000, 0.0003923400000000, 0.0003569600000000 ] - [ 0.0000868500000000, -0.0000660500000000, 0.0002045300000000 ] - [ 0.0000953000000000, -0.0004078200000000, -0.0002817000000000 ] - [ 0.0023178500000000, -0.0020362000000000, -0.0010970600000000 ] - [ 0.0003225600000000, -0.0007436300000000, 0.0032459700000000 ] - [ 0.0011821300000000, 0.0000149700000000, 0.0007524800000000 ] - [ 0.0000084500000000, -0.0003238800000000, 0.0012629800000000 ] - [ 0.0001800100000000, -0.0008676500000000, -0.0013605300000000 ] - [ -0.0005591900000000, -0.0007648000000000, 0.0001793400000000 ] - [ 0.0001662400000000, 0.0001160300000000, 0.0000655500000000 ] - [ 0.0001704900000000, 0.0004566100000000, -0.0003796600000000 ] - [ 0.0000004600000000, 0.0003395400000000, 0.0002865100000000 ] - [ 0.0013077300000000, -0.0004882600000000, 0.0006113600000000 ] - [ 0.0007129600000000, 0.0003608200000000, -0.0000706000000000 ] - [ -0.0042750600000000, -0.0011598800000000, -0.0016393100000000 ] - [ 0.0001770500000000, 0.0002953400000000, 0.0001633100000000 ] - [ -0.0001589500000000, -0.0004697200000000, -0.0004324300000000 ] - [ -0.0025514800000000, -0.0011584700000000, 0.0005014300000000 ] - [ 0.0014357800000000, 0.0010188000000000, 0.0002131100000000 ] - [ -0.0001538200000000, 0.0001046000000000, 0.0001187100000000 ] - [ -0.0000167500000000, -0.0011239400000000, -0.0001627100000000 ] - [ 0.0020135900000000, -0.0014238100000000, -0.0001945000000000 ] - [ -0.0001722200000000, -0.0002591300000000, -0.0000592800000000 ] - [ -0.0004655200000000, -0.0005540000000000, 0.0006475000000000 ] - [ -0.0015577000000000, 0.0028424800000000, -0.0005575800000000 ] - [ -0.0000979100000000, 0.0003837900000000, -0.0002635400000000 ] - [ -0.3055408000000000, -0.1598271600000000, -0.0071965200000000 ] - [ 0.0007319700000000, 0.0008984800000000, 0.0000033800000000 ] - [ 0.0002337200000000, 0.0003102300000000, -0.0003588700000000 ] - [ -0.0000425700000000, 0.0001794800000000, 0.0000468100000000 ] - [ -0.0001041500000000, -0.0000223200000000, -0.0001235700000000 ] - [ -0.0000426400000000, 0.0000013500000000, -0.0006761600000000 ] - [ -0.0007340900000000, 0.0006042800000000, -0.0001142500000000 ] - [ -0.0015011700000000, 0.0012335100000000, 0.0000051500000000 ] - [ 0.0003867200000000, 0.0001185400000000, -0.0000611700000000 ] - [ 0.0006980500000000, 0.0002622500000000, -0.0004602400000000 ] - [ 0.0001273400000000, 0.0007728800000000, -0.0001211600000000 ] - [ -0.0006395200000000, -0.0003922800000000, -0.0001396300000000 ] - [ -0.0002938300000000, -0.0005836300000000, -0.0000611200000000 ] - [ -0.0034446600000000, -0.0016253200000000, 0.0002240200000000 ] - [ -0.0001729600000000, -0.0004147700000000, -0.0007624300000000 ] - [ -0.0018207300000000, 0.0014358400000000, -0.0023421900000000 ] - [ -0.0000514600000000, 0.0003307600000000, 0.0001469100000000 ] - [ -0.0032902600000000, -0.0017332900000000, 0.0016739100000000 ] - [ -0.0005853800000000, 0.0007668200000000, 0.0027391200000000 ] - [ -0.0004594400000000, -0.0000846600000000, 0.0000957000000000 ] - [ -0.0002376500000000, -0.0002309700000000, 0.0000205300000000 ] - [ -0.0000652000000000, 0.0001337000000000, 0.0000834300000000 ] - [ -0.0004423900000000, -0.0004459600000000, 0.0001154200000000 ] - [ -0.0009114600000000, 0.0013990700000000, -0.0037276400000000 ] - [ 0.0007874600000000, 0.0003355300000000, 0.0001665200000000 ] - [ 0.0000769600000000, 0.0008740200000000, 0.0000915900000000 ] - [ 0.0033865700000000, 0.0017408800000000, -0.0012381400000000 ] - [ 0.0119471500000000, -0.0049878500000000, -0.0001484500000000 ] - [ 0.0001007900000000, -0.0002043900000000, 0.0001144900000000 ] - [ 0.0014850900000000, -0.0005016400000000, 0.0010373800000000 ] - [ -0.0007031600000000, 0.0001898400000000, -0.0014232800000000 ] - [ 0.0001674500000000, -0.0004369800000000, 0.0000738200000000 ] - [ 0.0000170600000000, 0.0002197000000000, -0.0005047400000000 ] - [ -0.0000721100000000, 0.0008861900000000, 0.0001115000000000 ] - [ -0.0007758100000000, 0.0001010100000000, 0.0000329200000000 ] - [ 0.0002616500000000, 0.0003185900000000, 0.0001090300000000 ] - [ -0.0003864500000000, 0.0003342400000000, 0.0002654800000000 ] - [ -0.0001286400000000, 0.0002920400000000, 0.0001499500000000 ] - [ 0.0001354900000000, 0.0001258600000000, 0.0007836400000000 ] - [ 0.0003672100000000, 0.0006373500000000, -0.0001771100000000 ] - [ 0.0001149900000000, -0.0002270000000000, 0.0003319800000000 ] - [ 0.0004552200000000, -0.0006212800000000, -0.0001184800000000 ] - [ 0.0086604900000000, -0.0010611700000000, 0.0010814800000000 ] - [ 0.0000137500000000, -0.0005349700000000, -0.0020523600000000 ] - [ -0.0002584100000000, -0.0001975700000000, -0.0001520800000000 ] - [ -0.0003217500000000, 0.0000251700000000, -0.0002580000000000 ] - [ 0.0002239400000000, -0.0006195100000000, -0.0003347700000000 ] - [ -0.0000518700000000, 0.0001532900000000, -0.0004184100000000 ]- atom: 129 displacement: [ -0.0099999639143206, 0.0000000000000000, 0.0000268647033593 ] forces: - [ 0.0000421500000000, 0.0003850700000000, 0.0002259500000000 ] - [ 0.0000186800000000, 0.0000665000000000, -0.0001161100000000 ] - [ 0.0009601400000000, -0.0003329800000000, -0.0001790400000000 ] - [ -0.0001153200000000, -0.0003848000000000, 0.0001195800000000 ] - [ 0.0002114400000000, -0.0005732600000000, -0.0000032100000000 ] - [ -0.0041640600000000, -0.0015347400000000, -0.0008375500000000 ] - [ -0.0002112900000000, 0.0004218700000000, -0.0004059900000000 ] - [ 0.0027051700000000, 0.0012420300000000, 0.0020985700000000 ] - [ 0.0003074100000000, 0.0001381000000000, 0.0001859500000000 ] - [ 0.0014277900000000, 0.0005243100000000, -0.0007731000000000 ] - [ 0.0001303700000000, 0.0003526900000000, 0.0002031300000000 ] - [ -0.0000168200000000, 0.0002298800000000, -0.0001511200000000 ] - [ 0.0004540300000000, 0.0000029000000000, 0.0001213800000000 ] - [ 0.0001304900000000, 0.0001828100000000, -0.0001122800000000 ] - [ -0.0003079100000000, 0.0004982800000000, 0.0005570400000000 ] - [ -0.0002699800000000, 0.0001802400000000, 0.0000106000000000 ] - [ -0.0026568700000000, -0.0020683900000000, 0.0012962300000000 ] - [ 0.0000788100000000, -0.0005255600000000, -0.0007954800000000 ] - [ -0.0005477300000000, 0.0005406200000000, 0.0000799700000000 ] - [ -0.0001624700000000, 0.0001041800000000, -0.0000192300000000 ] - [ 0.0003819600000000, 0.0001324600000000, -0.0000478900000000 ] - [ 0.0014893100000000, 0.0004786600000000, 0.0004611500000000 ] - [ -0.0024135400000000, -0.0021868300000000, 0.0010983000000000 ] - [ 0.0001406000000000, 0.0003330600000000, -0.0002584700000000 ] - [ 0.0008438500000000, 0.0011211900000000, 0.0005865900000000 ] - [ -0.0003052900000000, 0.0005847900000000, 0.0002331900000000 ] - [ 0.0086552900000000, 0.0057746800000000, -0.0073109100000000 ] - [ -0.0272857400000000, -0.0134397600000000, -0.0017888100000000 ] - [ -0.0000339200000000, 0.0004046800000000, 0.0001243800000000 ] - [ 0.0021682000000000, -0.0032973400000000, -0.0000478700000000 ] - [ 0.0023724500000000, 0.0016962200000000, 0.0010883100000000 ] - [ -0.0031585500000000, 0.0002508900000000, 0.0006540800000000 ] - [ -0.0003302600000000, 0.0009591000000000, 0.0003021800000000 ] - [ -0.0002762900000000, 0.0003499000000000, -0.0007193800000000 ] - [ -0.0001138900000000, 0.0001550100000000, -0.0001716800000000 ] - [ 0.0001212800000000, 0.0002141900000000, -0.0004214200000000 ] - [ -0.0012256400000000, -0.0009462300000000, 0.0002627100000000 ] - [ -0.0000447700000000, 0.0010192800000000, -0.0008619700000000 ] - [ 0.0151411400000000, -0.0081159000000000, 0.0009590400000000 ] - [ 0.0003409500000000, 0.0002574600000000, -0.0001460100000000 ] - [ -0.0016181400000000, 0.0097916600000000, -0.0022574000000000 ] - [ 0.0002996300000000, 0.0001153300000000, 0.0006048000000000 ] - [ -0.0002492500000000, -0.0006334100000000, -0.0022203700000000 ] - [ -0.0002379700000000, 0.0005186000000000, -0.0000564000000000 ] - [ -0.0138654100000000, -0.0111813800000000, -0.0034976500000000 ] - [ -0.0019504900000000, -0.0008608200000000, -0.0016443700000000 ] - [ 0.0000560000000000, 0.0001825200000000, -0.0006850300000000 ] - [ -0.0002708500000000, -0.0006578100000000, 0.0022531700000000 ] - [ -0.0002100700000000, 0.0000388800000000, -0.0000103600000000 ] - [ 0.0002518100000000, 0.0007882200000000, 0.0000993500000000 ] - [ 0.0022545000000000, 0.0010129300000000, 0.0001514600000000 ] - [ 0.0009545500000000, -0.0000973900000000, 0.0026088600000000 ] - [ -0.1720187200000000, -0.0741814600000000, -0.0057425200000000 ] - [ -0.0004793400000000, 0.0008662100000000, -0.0000170400000000 ] - [ -0.0000329200000000, -0.0005459100000000, -0.0000578700000000 ] - [ 0.0000306000000000, -0.0001888900000000, -0.0002363100000000 ] - [ -0.0000407700000000, 0.0001151500000000, -0.0000501900000000 ] - [ 0.0002034700000000, -0.0000619200000000, -0.0002369000000000 ] - [ 0.0079437500000000, -0.0008245300000000, 0.0006502400000000 ] - [ -0.0006456400000000, -0.0007917400000000, 0.0001894400000000 ] - [ 0.0015410400000000, -0.0011422400000000, -0.0008037000000000 ] - [ 0.0008409200000000, 0.0003566500000000, 0.0006540600000000 ] - [ -0.0000027900000000, 0.0005264800000000, 0.0000770600000000 ] - [ -0.0002216700000000, -0.0008631000000000, -0.0002733600000000 ] - [ -0.0000506600000000, 0.0000708800000000, -0.0003900300000000 ] - [ -0.0014036300000000, 0.0009406400000000, -0.0014940700000000 ] - [ -0.0001119800000000, -0.0011067300000000, -0.0024938900000000 ] - [ -0.0008750800000000, -0.0008059400000000, 0.0023475700000000 ] - [ -0.0002901200000000, 0.0004814400000000, 0.0001342300000000 ] - [ 0.0002118300000000, 0.0004150500000000, -0.0001100100000000 ] - [ -0.0023075500000000, -0.0032506000000000, 0.0072982200000000 ] - [ -0.0024773400000000, 0.0034818800000000, -0.0000916600000000 ] - [ -0.0059646500000000, 0.0004310500000000, -0.0065756900000000 ] - [ -0.0001308700000000, 0.0001709600000000, -0.0000415300000000 ] - [ 0.0001318400000000, 0.0001657900000000, -0.0000550700000000 ] - [ -0.0002869900000000, -0.0002763100000000, 0.0001193800000000 ] - [ -0.0000289500000000, 0.0000768600000000, -0.0000816600000000 ] - [ 0.0015652900000000, -0.0017705700000000, -0.0002632200000000 ] - [ 0.0001109100000000, -0.0005582400000000, 0.0002238200000000 ] - [ 0.0014489700000000, 0.0025905400000000, 0.0001746000000000 ] - [ -0.0003999600000000, -0.0072672900000000, 0.0013132600000000 ] - [ -0.0018306900000000, 0.0008620000000000, -0.0023589500000000 ] - [ -0.0002458700000000, -0.0003784300000000, 0.0003449800000000 ] - [ 0.0051114800000000, -0.0041305300000000, 0.0000064100000000 ] - [ -0.0018301000000000, -0.0028441500000000, 0.0006528900000000 ] - [ 0.0001872100000000, -0.0000937700000000, -0.0000107900000000 ] - [ 0.0001980200000000, -0.0004726600000000, 0.0000743100000000 ] - [ -0.0001962400000000, -0.0002173800000000, -0.0000305200000000 ] - [ -0.0003403600000000, -0.0001472500000000, 0.0005955800000000 ] - [ 0.0004230400000000, -0.0003078600000000, -0.0001842800000000 ] - [ -0.0042918400000000, 0.0001425100000000, 0.0135532400000000 ] - [ -0.0008909800000000, 0.0036595300000000, 0.0002391800000000 ] - [ -0.0002682600000000, 0.0001267800000000, 0.0004543000000000 ] - [ 0.0011392100000000, -0.0001015400000000, 0.0018437500000000 ] - [ -0.0037365200000000, -0.0469688200000000, -0.0121464200000000 ] - [ -0.0103508700000000, 0.0021171700000000, -0.0000713600000000 ] - [ -0.0010758800000000, -0.0014668000000000, 0.0002122800000000 ] - [ 0.0003119500000000, -0.0011912800000000, -0.0002128800000000 ] - [ -0.0013072600000000, -0.0019199200000000, -0.0116948700000000 ] - [ -0.0665519100000000, -0.0073310900000000, 0.0128547000000000 ] - [ -0.0003506900000000, 0.0004167100000000, 0.0002539400000000 ] - [ -0.0030235800000000, 0.0011372300000000, 0.0026578100000000 ] - [ 0.0002845900000000, -0.0003669300000000, 0.0002150300000000 ] - [ -0.0003055800000000, -0.0010643000000000, 0.0001637800000000 ] - [ 0.0001808900000000, -0.0006787300000000, -0.0000666300000000 ] - [ -0.0025272200000000, 0.0021165600000000, 0.0012847400000000 ] - [ -0.0008021300000000, 0.0008220000000000, -0.0034686700000000 ] - [ -0.0007019800000000, 0.0004984100000000, -0.0015790200000000 ] - [ 0.0002137300000000, 0.0002413100000000, -0.0014530500000000 ] - [ -0.0005137000000000, 0.0014023500000000, 0.0019320000000000 ] - [ 0.0002249200000000, 0.0002311600000000, 0.0004066900000000 ] - [ 0.0003978700000000, -0.0002044600000000, 0.0001416100000000 ] - [ 0.0001608700000000, 0.0000800300000000, -0.0002029100000000 ] - [ 0.0000683600000000, -0.0002175400000000, 0.0003771600000000 ] - [ -0.0017847100000000, -0.0000239900000000, 0.0002307100000000 ] - [ -0.0004801600000000, -0.0002756800000000, -0.0001248100000000 ] - [ 0.0048850900000000, 0.0012581900000000, 0.0017854500000000 ] - [ 0.0001481500000000, -0.0001588300000000, 0.0001690500000000 ] - [ -0.0001123900000000, -0.0003065100000000, 0.0001893900000000 ] - [ 0.0028898400000000, 0.0010056800000000, -0.0001666500000000 ] - [ -0.0019132100000000, -0.0002141200000000, -0.0002788600000000 ] - [ -0.0001203500000000, -0.0003457200000000, 0.0002128700000000 ] - [ -0.0003155600000000, 0.0009754700000000, -0.0001693200000000 ] - [ -0.0018002200000000, 0.0017359700000000, 0.0003072800000000 ] - [ -0.0002137600000000, -0.0006071700000000, -0.0000007300000000 ] - [ 0.0002296400000000, 0.0004160100000000, -0.0009369300000000 ] - [ 0.0015088400000000, -0.0029593200000000, -0.0001084700000000 ] - [ -0.0001324200000000, -0.0002480300000000, -0.0000190900000000 ] - [ 0.2963417500000000, 0.1525680900000000, 0.0069107900000000 ] - [ 0.0002375700000000, -0.0003137400000000, -0.0001349000000000 ] - [ -0.0007211400000000, -0.0003858800000000, 0.0001491700000000 ] - [ -0.0001929500000000, -0.0002686500000000, 0.0001461100000000 ] - [ -0.0001123700000000, -0.0003105600000000, 0.0000066700000000 ] - [ 0.0001971400000000, 0.0011786300000000, 0.0003306200000000 ] - [ -0.0002082200000000, -0.0004638200000000, -0.0000074700000000 ] - [ 0.0017861200000000, -0.0001538500000000, -0.0003537400000000 ] - [ 0.0005578600000000, -0.0002628900000000, 0.0001844900000000 ] - [ -0.0003010800000000, -0.0003253700000000, 0.0000362300000000 ] - [ 0.0000924000000000, 0.0003552500000000, -0.0002468200000000 ] - [ -0.0002993300000000, 0.0002513600000000, 0.0000136000000000 ] - [ 0.0000164700000000, -0.0005021900000000, 0.0004081700000000 ] - [ 0.0028819000000000, 0.0015288900000000, -0.0004402000000000 ] - [ 0.0001031400000000, 0.0005401900000000, 0.0001002700000000 ] - [ 0.0012428800000000, -0.0012643200000000, 0.0028212300000000 ] - [ -0.0001676100000000, 0.0007939600000000, 0.0002206100000000 ] - [ 0.0037956900000000, 0.0018507000000000, -0.0019078500000000 ] - [ 0.0003515700000000, -0.0009084000000000, -0.0023191300000000 ] - [ -0.0005073900000000, -0.0005051100000000, 0.0000359000000000 ] - [ -0.0002341100000000, -0.0005733900000000, -0.0000865800000000 ] - [ 0.0002938800000000, -0.0002709700000000, 0.0001979300000000 ] - [ 0.0006735100000000, 0.0003225900000000, -0.0005373500000000 ] - [ 0.0011612300000000, -0.0012641700000000, 0.0033118600000000 ] - [ -0.0003038000000000, -0.0008503900000000, -0.0010067600000000 ] - [ 0.0003108800000000, -0.0000098700000000, -0.0000323400000000 ] - [ -0.0038527700000000, -0.0018312700000000, 0.0014788800000000 ] - [ -0.0123094000000000, 0.0053165200000000, 0.0004873700000000 ] - [ 0.0001687400000000, -0.0005757800000000, 0.0001274900000000 ] - [ -0.0009850400000000, 0.0004335100000000, -0.0008205000000000 ] - [ 0.0010326400000000, -0.0007306100000000, 0.0008454100000000 ] - [ 0.0001075500000000, 0.0001989600000000, -0.0004075500000000 ] - [ 0.0001149100000000, -0.0002400400000000, -0.0003257400000000 ] - [ -0.0000784100000000, 0.0002923700000000, 0.0002263400000000 ] - [ 0.0005665200000000, 0.0002294400000000, -0.0001488000000000 ] - [ 0.0001308200000000, -0.0002536200000000, -0.0005249400000000 ] - [ -0.0001002300000000, -0.0002296900000000, -0.0000135300000000 ] - [ -0.0001040200000000, -0.0001585700000000, 0.0002753700000000 ] - [ -0.0002666000000000, -0.0001065300000000, 0.0000397400000000 ] - [ -0.0000931600000000, -0.0004026000000000, -0.0001538300000000 ] - [ 0.0001037600000000, -0.0001041200000000, -0.0002159000000000 ] - [ 0.0005101900000000, 0.0000337000000000, -0.0000115200000000 ] - [ -0.0096273400000000, 0.0016717500000000, -0.0009489700000000 ] - [ 0.0005266300000000, 0.0003676700000000, 0.0015652200000000 ] - [ -0.0000673000000000, 0.0003408400000000, -0.0001844300000000 ] - [ -0.0002492700000000, -0.0000520500000000, -0.0003176800000000 ] - [ 0.0001639600000000, -0.0002466500000000, 0.0003933400000000 ] - [ 0.0006081300000000, 0.0000217500000000, -0.0000542600000000 ]- atom: 129 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000306000000000, -0.0011398300000000, -0.0000771200000000 ] - [ -0.0000033200000000, 0.0001696500000000, -0.0002362200000000 ] - [ 0.0000867600000000, 0.0006353800000000, -0.0001080200000000 ] - [ 0.0001988300000000, -0.0006542900000000, 0.0004727800000000 ] - [ 0.0001064100000000, -0.0003065000000000, 0.0001437500000000 ] - [ 0.0008390300000000, 0.0016855900000000, -0.0005648800000000 ] - [ -0.0001257100000000, -0.0000986400000000, 0.0003267400000000 ] - [ -0.0014690300000000, 0.0008856600000000, -0.0007772400000000 ] - [ -0.0002428000000000, -0.0004970600000000, -0.0004646000000000 ] - [ -0.0007118900000000, 0.0001278800000000, 0.0007968300000000 ] - [ 0.0000464200000000, -0.0001786400000000, -0.0000327100000000 ] - [ 0.0000252600000000, -0.0010738600000000, 0.0003447000000000 ] - [ 0.0004470700000000, -0.0005659700000000, 0.0000612700000000 ] - [ 0.0000489300000000, -0.0003580600000000, 0.0001325500000000 ] - [ -0.0001108100000000, -0.0004716000000000, -0.0006513400000000 ] - [ -0.0003588000000000, -0.0004265600000000, 0.0001291700000000 ] - [ 0.0016020700000000, 0.0014297400000000, 0.0012188200000000 ] - [ -0.0004928100000000, 0.0006682200000000, -0.0000946100000000 ] - [ -0.0004585100000000, -0.0005957200000000, -0.0003888100000000 ] - [ 0.0002874800000000, -0.0001765200000000, -0.0005357300000000 ] - [ 0.0003383000000000, -0.0005526100000000, 0.0000255700000000 ] - [ -0.0008675900000000, 0.0003777200000000, -0.0006786100000000 ] - [ 0.0008446500000000, 0.0017719000000000, 0.0015460500000000 ] - [ 0.0000197900000000, -0.0000141900000000, 0.0003234300000000 ] - [ -0.0001969100000000, -0.0025465400000000, 0.0005055800000000 ] - [ 0.0004984800000000, -0.0029147800000000, 0.0002445100000000 ] - [ -0.0030820000000000, 0.0015403000000000, 0.0029547600000000 ] - [ 0.0066127700000000, 0.0182418000000000, 0.0003569200000000 ] - [ -0.0000542400000000, -0.0000422400000000, -0.0002157900000000 ] - [ 0.0010663900000000, 0.0010218000000000, 0.0003037000000000 ] - [ -0.0015890500000000, -0.0021851700000000, 0.0000672900000000 ] - [ 0.0033680200000000, -0.0039330300000000, -0.0007287600000000 ] - [ -0.0000385200000000, -0.0008889500000000, 0.0005958300000000 ] - [ -0.0002094400000000, -0.0001432600000000, -0.0004895300000000 ] - [ -0.0000220000000000, -0.0011990200000000, -0.0001754100000000 ] - [ 0.0000561200000000, -0.0012177300000000, -0.0005152000000000 ] - [ 0.0001438600000000, 0.0032172900000000, -0.0015082200000000 ] - [ 0.0000080900000000, -0.0033662500000000, 0.0005943500000000 ] - [ -0.0024610000000000, 0.0031861500000000, -0.0001358200000000 ] - [ 0.0003192800000000, -0.0018464600000000, -0.0001947600000000 ] - [ -0.0005006000000000, -0.0125555400000000, 0.0044517400000000 ] - [ 0.0002559000000000, 0.0000485000000000, -0.0003486100000000 ] - [ 0.0002397400000000, 0.0009210500000000, 0.0004971800000000 ] - [ -0.0002672600000000, -0.0012578600000000, -0.0001345400000000 ] - [ 0.0108665700000000, 0.0114620600000000, -0.0049295800000000 ] - [ 0.0010302700000000, 0.0032159800000000, 0.0000280600000000 ] - [ 0.0000660400000000, 0.0002733800000000, -0.0000314200000000 ] - [ -0.0000465500000000, 0.0010814100000000, -0.0006307600000000 ] - [ -0.0000274700000000, -0.0010402300000000, -0.0000317600000000 ] - [ -0.0000755800000000, -0.0012170700000000, 0.0000862300000000 ] - [ 0.0005792900000000, 0.0001311600000000, 0.0003499700000000 ] - [ -0.0004999100000000, 0.0007004100000000, 0.0007060300000000 ] - [ 0.0863588800000000, 0.1082916600000000, 0.0060446700000000 ] - [ -0.0000972200000000, -0.0013170400000000, 0.0006921300000000 ] - [ 0.0004160600000000, 0.0003580100000000, -0.0000502700000000 ] - [ 0.0005166300000000, -0.0009408200000000, -0.0003599500000000 ] - [ -0.0000979800000000, 0.0009731700000000, -0.0000468800000000 ] - [ 0.0002257200000000, -0.0009651100000000, 0.0000696900000000 ] - [ 0.0005499500000000, 0.0062169800000000, -0.0000873200000000 ] - [ 0.0010265200000000, -0.0030982800000000, 0.0001190800000000 ] - [ 0.0005452100000000, -0.0006515400000000, -0.0017395200000000 ] - [ -0.0005012100000000, -0.0002462200000000, -0.0003035100000000 ] - [ -0.0000557300000000, -0.0004116300000000, 0.0001261500000000 ] - [ -0.0000138700000000, 0.0005535800000000, 0.0002130900000000 ] - [ -0.0004955700000000, -0.0004720000000000, 0.0001348700000000 ] - [ 0.0002721600000000, 0.0002939700000000, 0.0018278500000000 ] - [ -0.0003674300000000, 0.0012665500000000, 0.0002230600000000 ] - [ -0.0008456100000000, 0.0002190600000000, -0.0035089500000000 ] - [ 0.0003542500000000, -0.0009109400000000, -0.0011289300000000 ] - [ -0.0002521200000000, -0.0007740200000000, -0.0000224300000000 ] - [ 0.0013144400000000, 0.0028137200000000, -0.0048284700000000 ] - [ -0.0027898700000000, -0.0043912200000000, 0.0007539500000000 ] - [ 0.0028390400000000, 0.0002540300000000, 0.0036284100000000 ] - [ -0.0001070000000000, -0.0001164200000000, 0.0009364400000000 ] - [ 0.0006341100000000, -0.0005708600000000, -0.0008033800000000 ] - [ -0.0004324100000000, -0.0013711700000000, 0.0013181100000000 ] - [ -0.0000164000000000, -0.0008326100000000, -0.0000935400000000 ] - [ 0.0006965800000000, -0.0011103000000000, -0.0001788800000000 ] - [ -0.0000444600000000, 0.0006701200000000, -0.0000032300000000 ] - [ -0.0012648200000000, -0.0013794700000000, -0.0001335400000000 ] - [ 0.0027817900000000, 0.0048191900000000, -0.0009309800000000 ] - [ -0.0000540600000000, -0.0013070400000000, 0.0002614600000000 ] - [ -0.0000363600000000, 0.0007886100000000, 0.0000755900000000 ] - [ 0.0027020600000000, 0.0123249600000000, -0.0008517000000000 ] - [ 0.0025207500000000, 0.0011386100000000, -0.0011790200000000 ] - [ 0.0002002700000000, 0.0004505700000000, 0.0002850100000000 ] - [ 0.0002393400000000, 0.0005681500000000, -0.0004364200000000 ] - [ -0.0004663200000000, 0.0008035900000000, -0.0001310300000000 ] - [ -0.0001796100000000, 0.0000610400000000, -0.0002426500000000 ] - [ 0.0000691400000000, -0.0006652800000000, 0.0002966700000000 ] - [ 0.0026683500000000, -0.0045363900000000, -0.0072970700000000 ] - [ -0.0018403100000000, 0.0005836300000000, 0.0002246000000000 ] - [ -0.0001664600000000, 0.0006278300000000, 0.0003165400000000 ] - [ -0.0000186400000000, -0.0004402500000000, -0.0011805300000000 ] - [ 0.0409648000000000, 0.0591441500000000, 0.0215756900000000 ] - [ 0.0058391700000000, -0.0057167200000000, -0.0003954000000000 ] - [ 0.0016968000000000, 0.0025158100000000, -0.0001383200000000 ] - [ -0.0001332500000000, 0.0014640500000000, -0.0001502700000000 ] - [ 0.0020149900000000, -0.0011342000000000, 0.0087535000000000 ] - [ 0.0060027700000000, -0.0142480300000000, -0.0012147400000000 ] - [ -0.0001611600000000, 0.0002268100000000, 0.0008025500000000 ] - [ 0.0003651500000000, -0.0012407200000000, -0.0004815000000000 ] - [ 0.0004021500000000, 0.0010394700000000, 0.0004835800000000 ] - [ -0.0000880600000000, 0.0006834800000000, 0.0001648200000000 ] - [ 0.0001182300000000, -0.0000308800000000, -0.0001166500000000 ] - [ -0.0035186200000000, 0.0011260600000000, 0.0015302500000000 ] - [ 0.0001212600000000, -0.0006901400000000, 0.0025478000000000 ] - [ 0.0005767500000000, -0.0001967900000000, -0.0003953400000000 ] - [ 0.0006683900000000, -0.0015300200000000, -0.0000353900000000 ] - [ -0.0000031700000000, -0.0005001000000000, 0.0001061900000000 ] - [ -0.0005826500000000, 0.0011510700000000, -0.0007750200000000 ] - [ -0.0001890400000000, 0.0008794500000000, 0.0004130300000000 ] - [ 0.0002705300000000, 0.0010130600000000, -0.0003725400000000 ] - [ -0.0000378500000000, 0.0008815800000000, 0.0001948700000000 ] - [ -0.0003775700000000, 0.0002925900000000, 0.0005806500000000 ] - [ 0.0005764700000000, 0.0006430500000000, 0.0000824800000000 ] - [ -0.0009121200000000, -0.0040284300000000, -0.0004239900000000 ] - [ 0.0002251000000000, 0.0008059400000000, 0.0002554700000000 ] - [ -0.0001867000000000, -0.0006819900000000, -0.0001369800000000 ] - [ -0.0025897500000000, 0.0030586700000000, -0.0001941600000000 ] - [ 0.0007089200000000, 0.0014207100000000, -0.0000487600000000 ] - [ -0.0001651800000000, 0.0004515200000000, 0.0001612800000000 ] - [ -0.0006056000000000, 0.0008262600000000, 0.0000261200000000 ] - [ 0.0000708000000000, -0.0000836900000000, 0.0000961000000000 ] - [ -0.0000702500000000, -0.0000466600000000, -0.0000820000000000 ] - [ 0.0007737400000000, -0.0005263900000000, 0.0019811400000000 ] - [ -0.0001370200000000, 0.0049700700000000, -0.0011344700000000 ] - [ -0.0002280000000000, 0.0008472500000000, -0.0003119600000000 ] - [ -0.1577644200000000, -0.1850308000000000, -0.0279835700000000 ] - [ 0.0008025700000000, 0.0015732900000000, 0.0000250200000000 ] - [ -0.0000556400000000, 0.0004070900000000, -0.0006414900000000 ] - [ 0.0002371400000000, 0.0005807000000000, -0.0000401000000000 ] - [ -0.0001018500000000, 0.0003505400000000, -0.0000995200000000 ] - [ -0.0000723200000000, -0.0005902800000000, -0.0001545900000000 ] - [ -0.0010035100000000, 0.0013318300000000, -0.0002842900000000 ] - [ -0.0011570900000000, 0.0031451900000000, -0.0001782600000000 ] - [ 0.0002805800000000, 0.0003569900000000, 0.0000064000000000 ] - [ 0.0001441200000000, 0.0000161300000000, -0.0005739600000000 ] - [ 0.0001130700000000, 0.0010251500000000, -0.0001415300000000 ] - [ -0.0007902700000000, -0.0006275200000000, 0.0002304900000000 ] - [ -0.0002126800000000, -0.0008515600000000, 0.0000644000000000 ] - [ 0.0003189500000000, 0.0004146600000000, 0.0031466700000000 ] - [ -0.0001444300000000, -0.0007750200000000, -0.0004074800000000 ] - [ 0.0003326100000000, -0.0004400400000000, -0.0017352900000000 ] - [ -0.0000646200000000, 0.0000220900000000, 0.0002819700000000 ] - [ -0.0015569200000000, -0.0029240600000000, 0.0012919800000000 ] - [ -0.0000035400000000, 0.0019103900000000, 0.0030083300000000 ] - [ -0.0004718200000000, 0.0002370700000000, 0.0000693200000000 ] - [ -0.0002582900000000, 0.0001127300000000, 0.0001081700000000 ] - [ 0.0000970500000000, 0.0005631000000000, 0.0008701800000000 ] - [ -0.0003316100000000, 0.0013779000000000, 0.0012059500000000 ] - [ -0.0005517800000000, -0.0001070700000000, -0.0014243200000000 ] - [ 0.0007606700000000, 0.0003811400000000, 0.0002832200000000 ] - [ 0.0004731100000000, 0.0016427700000000, 0.0000135500000000 ] - [ -0.0000891800000000, -0.0004729500000000, -0.0003102600000000 ] - [ -0.0035181000000000, -0.0042841200000000, -0.0005756800000000 ] - [ 0.0001044600000000, 0.0002051800000000, 0.0002559300000000 ] - [ -0.0003200000000000, 0.0000175000000000, -0.0005081000000000 ] - [ 0.0001792900000000, -0.0000994200000000, -0.0025224800000000 ] - [ 0.0002364900000000, -0.0009502200000000, 0.0000615700000000 ] - [ 0.0000663900000000, 0.0006211500000000, -0.0008505700000000 ] - [ -0.0000908000000000, 0.0013546800000000, 0.0001550900000000 ] - [ -0.0013307900000000, 0.0017047800000000, -0.0000750200000000 ] - [ 0.0001791700000000, 0.0007284800000000, 0.0001910700000000 ] - [ -0.0006671900000000, 0.0008315500000000, 0.0003665400000000 ] - [ -0.0002155200000000, 0.0005732900000000, 0.0003278000000000 ] - [ 0.0000915000000000, 0.0001788600000000, 0.0009486700000000 ] - [ 0.0001030200000000, 0.0012891800000000, -0.0002579700000000 ] - [ 0.0002041200000000, -0.0004954600000000, 0.0000772900000000 ] - [ 0.0005245700000000, -0.0010784600000000, 0.0000399900000000 ] - [ 0.0004950300000000, -0.0024039900000000, -0.0000277700000000 ] - [ 0.0004766400000000, -0.0012804400000000, -0.0005164600000000 ] - [ -0.0000750600000000, -0.0008659400000000, 0.0000670000000000 ] - [ -0.0003204100000000, 0.0004818200000000, -0.0010752500000000 ] - [ 0.0002450200000000, -0.0009391400000000, 0.0000728400000000 ] - [ 0.0003838000000000, 0.0010977300000000, -0.0007263800000000 ]- atom: 129 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001589700000000, 0.0009265200000000, 0.0002614100000000 ] - [ -0.0001248700000000, 0.0002676900000000, 0.0001819000000000 ] - [ 0.0005328800000000, -0.0006472300000000, -0.0000393200000000 ] - [ -0.0001059500000000, -0.0000076300000000, -0.0001932600000000 ] - [ -0.0001998800000000, -0.0003600100000000, -0.0004242400000000 ] - [ -0.0010024300000000, -0.0019701800000000, 0.0002968800000000 ] - [ -0.0000641500000000, 0.0003100100000000, -0.0005144600000000 ] - [ 0.0023395000000000, -0.0005387900000000, 0.0010050800000000 ] - [ 0.0003002800000000, 0.0003951900000000, 0.0003506200000000 ] - [ 0.0006581100000000, -0.0000285100000000, -0.0006906900000000 ] - [ 0.0000460000000000, 0.0008448800000000, 0.0003123600000000 ] - [ 0.0001029200000000, 0.0006359100000000, -0.0002878800000000 ] - [ 0.0004199600000000, 0.0002313600000000, 0.0001568300000000 ] - [ 0.0000094300000000, 0.0004644500000000, -0.0002456400000000 ] - [ 0.0000530200000000, 0.0003688900000000, 0.0007699300000000 ] - [ -0.0002573200000000, 0.0004175600000000, 0.0000160700000000 ] - [ -0.0017010300000000, -0.0019367900000000, -0.0012217700000000 ] - [ -0.0003754900000000, -0.0010038800000000, -0.0001227600000000 ] - [ -0.0004083800000000, 0.0009350700000000, 0.0001740100000000 ] - [ -0.0001590600000000, 0.0006180200000000, 0.0005910700000000 ] - [ 0.0002780300000000, 0.0005636800000000, -0.0001722100000000 ] - [ 0.0007844300000000, 0.0002840100000000, 0.0004044300000000 ] - [ -0.0014897300000000, -0.0017209300000000, -0.0014459900000000 ] - [ 0.0001698100000000, 0.0002309500000000, -0.0001400800000000 ] - [ 0.0007199800000000, 0.0022325700000000, 0.0004152000000000 ] - [ -0.0004279800000000, 0.0024482900000000, 0.0000457500000000 ] - [ 0.0027520600000000, -0.0025121800000000, -0.0023357600000000 ] - [ -0.0079021900000000, -0.0190135800000000, -0.0013464600000000 ] - [ -0.0000140800000000, 0.0005116800000000, -0.0000719900000000 ] - [ -0.0008785800000000, -0.0006885600000000, -0.0011708400000000 ] - [ 0.0014192700000000, 0.0025073300000000, 0.0008086900000000 ] - [ -0.0032866700000000, 0.0043275900000000, 0.0008226400000000 ] - [ -0.0003342300000000, 0.0019175100000000, 0.0000648200000000 ] - [ -0.0003162400000000, 0.0004596500000000, -0.0004293800000000 ] - [ -0.0000948600000000, 0.0008290200000000, 0.0000866400000000 ] - [ 0.0001291500000000, 0.0009075800000000, -0.0003572100000000 ] - [ 0.0002628200000000, -0.0030249500000000, 0.0014317200000000 ] - [ 0.0003645900000000, 0.0023552600000000, -0.0012670800000000 ] - [ 0.0024673400000000, -0.0037295300000000, -0.0001444800000000 ] - [ 0.0000782000000000, 0.0016674600000000, 0.0001115000000000 ] - [ 0.0003929400000000, 0.0129130200000000, -0.0045168600000000 ] - [ 0.0002685200000000, 0.0002751000000000, 0.0012651600000000 ] - [ -0.0001232300000000, -0.0013013000000000, -0.0004083400000000 ] - [ -0.0001324300000000, 0.0014446300000000, 0.0002218900000000 ] - [ -0.0114263500000000, -0.0113196700000000, 0.0053370100000000 ] - [ -0.0006666000000000, -0.0021959700000000, -0.0006999200000000 ] - [ 0.0000027600000000, 0.0002035700000000, 0.0003179600000000 ] - [ -0.0001405800000000, -0.0013995400000000, 0.0015101400000000 ] - [ -0.0002890200000000, 0.0005674400000000, -0.0000225100000000 ] - [ 0.0001482100000000, 0.0016176100000000, 0.0000827400000000 ] - [ -0.0001195500000000, -0.0000548700000000, -0.0010466600000000 ] - [ 0.0007954000000000, -0.0008328900000000, -0.0001518800000000 ] - [ -0.0814700800000000, -0.1063345600000000, -0.0060910700000000 ] - [ -0.0003244400000000, 0.0019840300000000, -0.0004546800000000 ] - [ -0.0001028100000000, -0.0008394600000000, 0.0001048500000000 ] - [ -0.0002171100000000, 0.0001625800000000, -0.0000929900000000 ] - [ 0.0001330300000000, -0.0003663500000000, -0.0001694700000000 ] - [ 0.0001947600000000, 0.0003039900000000, -0.0003091800000000 ] - [ -0.0006308400000000, -0.0058783500000000, -0.0000817700000000 ] - [ -0.0010535800000000, 0.0024914000000000, 0.0000969500000000 ] - [ -0.0008400300000000, 0.0007866000000000, 0.0011968300000000 ] - [ 0.0007985700000000, 0.0003796200000000, 0.0008531600000000 ] - [ 0.0000226300000000, 0.0010279900000000, 0.0000903500000000 ] - [ -0.0004061200000000, -0.0012130200000000, 0.0000255100000000 ] - [ 0.0002046000000000, 0.0003414200000000, -0.0006788500000000 ] - [ -0.0000296900000000, -0.0005360300000000, -0.0019699700000000 ] - [ 0.0001118600000000, -0.0010152000000000, -0.0000964700000000 ] - [ 0.0011542400000000, 0.0005677900000000, 0.0030375900000000 ] - [ -0.0006569300000000, 0.0016975000000000, 0.0015910200000000 ] - [ 0.0005065900000000, 0.0010369100000000, -0.0001217000000000 ] - [ -0.0017797700000000, -0.0029036100000000, 0.0055536200000000 ] - [ 0.0031253300000000, 0.0048912800000000, -0.0007035700000000 ] - [ -0.0031586700000000, -0.0010533800000000, -0.0031739200000000 ] - [ -0.0003415100000000, 0.0001834000000000, -0.0002499400000000 ] - [ -0.0001843400000000, 0.0005020700000000, 0.0001085700000000 ] - [ 0.0001784200000000, 0.0011140400000000, -0.0011829400000000 ] - [ -0.0000545200000000, 0.0004362100000000, -0.0000750500000000 ] - [ -0.0006636300000000, 0.0004907900000000, -0.0000374400000000 ] - [ 0.0001156500000000, -0.0010662800000000, 0.0001717400000000 ] - [ 0.0009458800000000, 0.0018643700000000, 0.0000808800000000 ] - [ -0.0023236600000000, -0.0040574500000000, 0.0010066300000000 ] - [ -0.0000825900000000, 0.0012953600000000, 0.0005517500000000 ] - [ -0.0005156400000000, -0.0009614600000000, 0.0004010600000000 ] - [ -0.0030101600000000, -0.0117185800000000, 0.0006188800000000 ] - [ -0.0024457900000000, -0.0012767800000000, 0.0018321000000000 ] - [ 0.0002878300000000, -0.0003812100000000, -0.0000671500000000 ] - [ 0.0002478900000000, -0.0006765500000000, 0.0001876300000000 ] - [ -0.0000954400000000, -0.0007185000000000, -0.0000766700000000 ] - [ -0.0002129800000000, -0.0001267100000000, 0.0006621100000000 ] - [ 0.0004059300000000, -0.0001341500000000, -0.0002332400000000 ] - [ -0.0024215300000000, 0.0047184500000000, 0.0075815200000000 ] - [ 0.0015705500000000, 0.0005221000000000, 0.0001241500000000 ] - [ -0.0003184500000000, -0.0001194100000000, 0.0005155500000000 ] - [ 0.0005922000000000, 0.0004090400000000, 0.0017567200000000 ] - [ -0.0402308200000000, -0.0594121200000000, -0.0207369300000000 ] - [ -0.0056837700000000, 0.0046399200000000, 0.0000317400000000 ] - [ -0.0014246000000000, -0.0017393800000000, 0.0003800600000000 ] - [ 0.0002871600000000, -0.0026494800000000, -0.0001904400000000 ] - [ -0.0024153400000000, 0.0012258900000000, -0.0084101200000000 ] - [ -0.0068399500000000, 0.0150206300000000, 0.0012315200000000 ] - [ 0.0002930000000000, -0.0002089800000000, -0.0016334300000000 ] - [ -0.0009492600000000, 0.0012780300000000, -0.0000693400000000 ] - [ 0.0001669200000000, -0.0010158700000000, 0.0000883100000000 ] - [ -0.0001324600000000, -0.0018163600000000, 0.0002031800000000 ] - [ 0.0001582200000000, -0.0010580600000000, -0.0002310000000000 ] - [ 0.0032768600000000, -0.0010348500000000, -0.0013391700000000 ] - [ -0.0006081600000000, 0.0007655300000000, -0.0027804000000000 ] - [ -0.0000954200000000, 0.0007088400000000, -0.0004439600000000 ] - [ -0.0004340200000000, 0.0014419400000000, -0.0001630600000000 ] - [ -0.0003298000000000, 0.0010497100000000, 0.0004858900000000 ] - [ 0.0002544300000000, -0.0016944500000000, 0.0013666600000000 ] - [ 0.0007590700000000, -0.0009726300000000, -0.0002080600000000 ] - [ 0.0000599600000000, -0.0004771600000000, -0.0002082600000000 ] - [ 0.0001060100000000, -0.0007598200000000, 0.0004700500000000 ] - [ -0.0001053400000000, -0.0008046200000000, 0.0002518100000000 ] - [ -0.0003436600000000, -0.0005558200000000, -0.0002778200000000 ] - [ 0.0014984200000000, 0.0041232700000000, 0.0005881000000000 ] - [ 0.0000999200000000, -0.0006703500000000, 0.0000768700000000 ] - [ -0.0000814700000000, -0.0000920900000000, -0.0001066400000000 ] - [ 0.0029117800000000, -0.0032114500000000, 0.0005246800000000 ] - [ -0.0011793100000000, -0.0006226200000000, -0.0000160700000000 ] - [ -0.0001089100000000, -0.0006925400000000, 0.0001703000000000 ] - [ 0.0002834200000000, -0.0009630700000000, -0.0003592300000000 ] - [ 0.0001439100000000, 0.0004308500000000, 0.0000223000000000 ] - [ -0.0003164400000000, -0.0008190900000000, 0.0000233400000000 ] - [ -0.0010058200000000, 0.0003853600000000, -0.0022597800000000 ] - [ 0.0000697800000000, -0.0051356100000000, 0.0004777600000000 ] - [ -0.0000015200000000, -0.0007123600000000, 0.0000294600000000 ] - [ 0.1546450200000000, 0.1834204600000000, 0.0272236300000000 ] - [ 0.0001606500000000, -0.0009902300000000, -0.0001573600000000 ] - [ -0.0004345900000000, -0.0004784600000000, 0.0004279100000000 ] - [ -0.0004730900000000, -0.0006710300000000, 0.0002325900000000 ] - [ -0.0001154600000000, -0.0006855100000000, -0.0000172600000000 ] - [ 0.0002246300000000, 0.0017663600000000, -0.0001878500000000 ] - [ 0.0000655100000000, -0.0011941600000000, 0.0001624200000000 ] - [ 0.0014307600000000, -0.0020582300000000, -0.0001689300000000 ] - [ 0.0006626500000000, -0.0004999500000000, 0.0001167300000000 ] - [ 0.0002461300000000, -0.0000858100000000, 0.0001627200000000 ] - [ 0.0001064800000000, 0.0001053000000000, -0.0002266300000000 ] - [ -0.0001489500000000, 0.0004860000000000, -0.0003524300000000 ] - [ -0.0000671300000000, -0.0002315200000000, 0.0002842600000000 ] - [ -0.0008928900000000, -0.0005107000000000, -0.0033542700000000 ] - [ 0.0000785000000000, 0.0009047400000000, -0.0002552000000000 ] - [ -0.0008767500000000, 0.0005952600000000, 0.0022218000000000 ] - [ -0.0001546600000000, 0.0011033500000000, 0.0000868100000000 ] - [ 0.0020622400000000, 0.0030473800000000, -0.0015454900000000 ] - [ -0.0002316300000000, -0.0020351400000000, -0.0025703000000000 ] - [ -0.0004934000000000, -0.0008253300000000, 0.0000630600000000 ] - [ -0.0002137300000000, -0.0009185900000000, -0.0001726000000000 ] - [ 0.0001305300000000, -0.0007021300000000, -0.0005952400000000 ] - [ 0.0005668800000000, -0.0015117700000000, -0.0016378400000000 ] - [ 0.0007872100000000, 0.0002524600000000, 0.0009940000000000 ] - [ -0.0002798600000000, -0.0008933200000000, -0.0011218000000000 ] - [ -0.0000858900000000, -0.0007801000000000, 0.0000453500000000 ] - [ -0.0004191800000000, 0.0003531400000000, 0.0005727900000000 ] - [ 0.0032972400000000, 0.0045059200000000, 0.0009058900000000 ] - [ 0.0001639700000000, -0.0009881400000000, -0.0000117500000000 ] - [ 0.0008078700000000, -0.0000919100000000, 0.0007275700000000 ] - [ 0.0001538100000000, -0.0004484000000000, 0.0019298900000000 ] - [ 0.0000374000000000, 0.0007108900000000, -0.0003940900000000 ] - [ 0.0000650000000000, -0.0006421200000000, 0.0000189300000000 ] - [ -0.0000598800000000, -0.0001784100000000, 0.0001838200000000 ] - [ 0.0011077900000000, -0.0013779600000000, -0.0000419500000000 ] - [ 0.0002142700000000, -0.0006644600000000, -0.0006083400000000 ] - [ 0.0001800000000000, -0.0007269200000000, -0.0001137500000000 ] - [ -0.0000168000000000, -0.0004421900000000, 0.0000966800000000 ] - [ -0.0002241500000000, -0.0001583300000000, -0.0001252400000000 ] - [ 0.0001695100000000, -0.0010527100000000, -0.0000735700000000 ] - [ 0.0000147000000000, 0.0001661300000000, 0.0000391400000000 ] - [ 0.0004406000000000, 0.0004916300000000, -0.0001713700000000 ] - [ -0.0014740900000000, 0.0030008200000000, 0.0001568500000000 ] - [ 0.0000776400000000, 0.0011131700000000, 0.0000533200000000 ] - [ -0.0002521900000000, 0.0010106000000000, -0.0004009700000000 ] - [ -0.0002497800000000, -0.0005088300000000, 0.0005070100000000 ] - [ 0.0001431200000000, 0.0000716100000000, -0.0000124000000000 ] - [ 0.0001718300000000, -0.0009264500000000, 0.0002573000000000 ]- atom: 129 displacement: [ -0.0035230240541542, 0.0000000000000000, 0.0093588621911988 ] forces: - [ 0.0000463700000000, -0.0001573200000000, 0.0001496500000000 ] - [ 0.0000302800000000, 0.0000410800000000, -0.0002732900000000 ] - [ 0.0003098700000000, 0.0000808200000000, -0.0005467200000000 ] - [ -0.0000567400000000, -0.0000872300000000, 0.0000159600000000 ] - [ -0.0000821400000000, -0.0002751300000000, -0.0001898000000000 ] - [ -0.0011860700000000, -0.0018540500000000, 0.0010832700000000 ] - [ -0.0000722600000000, 0.0005709400000000, -0.0003417100000000 ] - [ 0.0007556200000000, 0.0007942600000000, 0.0011040200000000 ] - [ 0.0000604100000000, -0.0001206800000000, -0.0000846500000000 ] - [ 0.0009642000000000, 0.0006786700000000, 0.0000040300000000 ] - [ 0.0000984100000000, 0.0001678600000000, 0.0001604900000000 ] - [ 0.0000365700000000, -0.0000929100000000, 0.0000866900000000 ] - [ 0.0004385900000000, -0.0001800400000000, 0.0000543700000000 ] - [ 0.0000452700000000, 0.0001525900000000, -0.0000248000000000 ] - [ -0.0002075100000000, -0.0004732300000000, -0.0001639300000000 ] - [ -0.0002846800000000, 0.0000201900000000, 0.0000088500000000 ] - [ -0.0021140000000000, 0.0002794300000000, 0.0018210600000000 ] - [ 0.0002526700000000, -0.0003611700000000, -0.0009998600000000 ] - [ -0.0004935700000000, 0.0001215700000000, 0.0000170200000000 ] - [ 0.0000706800000000, -0.0001602900000000, -0.0003162300000000 ] - [ 0.0002956700000000, 0.0000100500000000, 0.0000228700000000 ] - [ 0.0000311500000000, 0.0001193800000000, 0.0000346100000000 ] - [ -0.0021928000000000, 0.0014541600000000, 0.0009760800000000 ] - [ 0.0001747800000000, 0.0002981900000000, -0.0002006300000000 ] - [ 0.0003809500000000, -0.0000439200000000, 0.0006980200000000 ] - [ 0.0000290400000000, -0.0004160100000000, 0.0004220100000000 ] - [ 0.0040979600000000, 0.0036008500000000, -0.0024967400000000 ] - [ -0.0104491700000000, -0.0055619900000000, 0.0114371500000000 ] - [ -0.0001996000000000, 0.0003682700000000, -0.0005885100000000 ] - [ 0.0010908300000000, -0.0004297500000000, 0.0014680600000000 ] - [ 0.0007268700000000, 0.0002076300000000, 0.0010867600000000 ] - [ -0.0011559200000000, -0.0002690100000000, 0.0015116700000000 ] - [ -0.0002494000000000, 0.0006085200000000, 0.0001814900000000 ] - [ -0.0001098900000000, 0.0000864900000000, -0.0011068500000000 ] - [ -0.0000140100000000, -0.0002277000000000, -0.0003365800000000 ] - [ 0.0000579200000000, -0.0001546800000000, -0.0006317100000000 ] - [ -0.0023126200000000, -0.0011510000000000, -0.0029608100000000 ] - [ 0.0001609100000000, -0.0001828900000000, -0.0002516900000000 ] - [ 0.0065936000000000, -0.0042935200000000, 0.0016351500000000 ] - [ 0.0002800800000000, -0.0004011400000000, 0.0000659100000000 ] - [ -0.0005133600000000, 0.0019907200000000, 0.0010924000000000 ] - [ 0.0000265200000000, -0.0000213100000000, -0.0005232400000000 ] - [ 0.0001913400000000, 0.0000453100000000, -0.0033513600000000 ] - [ -0.0001882500000000, -0.0000913800000000, -0.0001973900000000 ] - [ 0.0006443700000000, -0.0086052500000000, 0.0043615700000000 ] - [ 0.0010350300000000, 0.0013187000000000, -0.0034198900000000 ] - [ 0.0002303600000000, 0.0003983100000000, -0.0013656200000000 ] - [ -0.0004288900000000, -0.0001842900000000, -0.0012058600000000 ] - [ -0.0001885000000000, -0.0002749000000000, -0.0000366000000000 ] - [ 0.0001470100000000, 0.0001863500000000, 0.0001066800000000 ] - [ 0.0009407300000000, 0.0005980600000000, -0.0006693800000000 ] - [ -0.0002629100000000, 0.0003751800000000, 0.0015571300000000 ] - [ -0.0538542900000000, -0.0210238200000000, 0.0461760000000000 ] - [ -0.0003647800000000, 0.0002233300000000, 0.0002291000000000 ] - [ 0.0005049100000000, -0.0005573200000000, -0.0003322100000000 ] - [ 0.0001923300000000, -0.0003995400000000, -0.0002343100000000 ] - [ -0.0003793400000000, 0.0006451900000000, -0.0003211800000000 ] - [ 0.0003079300000000, -0.0002675900000000, -0.0002178900000000 ] - [ 0.0029306700000000, -0.0001519500000000, 0.0004058100000000 ] - [ 0.0000316500000000, -0.0010858900000000, 0.0000938700000000 ] - [ 0.0017729900000000, -0.0015014200000000, -0.0013578700000000 ] - [ 0.0001858100000000, 0.0000274700000000, 0.0002303800000000 ] - [ 0.0000414300000000, 0.0003204200000000, 0.0000669400000000 ] - [ 0.0003375300000000, -0.0011808800000000, -0.0005786500000000 ] - [ -0.0001688300000000, -0.0000666100000000, -0.0002317400000000 ] - [ -0.0009919800000000, 0.0017184100000000, -0.0006125000000000 ] - [ 0.0002079400000000, -0.0006468800000000, -0.0014244700000000 ] - [ -0.0017072000000000, -0.0011067800000000, 0.0005095000000000 ] - [ 0.0000836900000000, -0.0002005000000000, -0.0004960500000000 ] - [ 0.0001123900000000, 0.0000988600000000, -0.0000495600000000 ] - [ -0.0021422200000000, -0.0007812900000000, -0.0014003900000000 ] - [ -0.0002944400000000, 0.0011883400000000, -0.0002606100000000 ] - [ -0.0004318100000000, 0.0031994900000000, -0.0055892000000000 ] - [ -0.0001051600000000, 0.0001177400000000, 0.0003508600000000 ] - [ 0.0002038700000000, -0.0000292500000000, -0.0003216200000000 ] - [ -0.0000943200000000, 0.0000786100000000, -0.0001530100000000 ] - [ -0.0000868100000000, -0.0002282400000000, -0.0001166500000000 ] - [ 0.0006501600000000, -0.0013196000000000, -0.0001876800000000 ] - [ -0.0003935300000000, -0.0000900400000000, -0.0000285600000000 ] - [ 0.0002607500000000, 0.0011597000000000, 0.0001150400000000 ] - [ 0.0000630300000000, -0.0014923800000000, 0.0000190600000000 ] - [ -0.0002656200000000, 0.0004431500000000, -0.0017505500000000 ] - [ -0.0002424400000000, -0.0000954100000000, 0.0002826600000000 ] - [ 0.0013136700000000, -0.0015212900000000, -0.0022496400000000 ] - [ 0.0000194100000000, -0.0013196500000000, -0.0002975700000000 ] - [ 0.0002254600000000, 0.0000665200000000, 0.0001740100000000 ] - [ 0.0001652300000000, -0.0001941100000000, -0.0001347900000000 ] - [ -0.0002989800000000, 0.0000912800000000, -0.0000817200000000 ] - [ -0.0003194100000000, -0.0002076600000000, 0.0004765900000000 ] - [ 0.0000646500000000, -0.0002389200000000, 0.0004180800000000 ] - [ -0.0076069000000000, -0.0024770000000000, 0.0081847700000000 ] - [ -0.0006155800000000, 0.0022102300000000, -0.0006406800000000 ] - [ -0.0002408500000000, 0.0002113900000000, 0.0004668700000000 ] - [ 0.0006263800000000, -0.0006910000000000, 0.0014753200000000 ] - [ 0.0088998400000000, 0.0038382400000000, -0.0168310900000000 ] - [ -0.0033906300000000, 0.0000858400000000, -0.0007286200000000 ] - [ 0.0001941300000000, -0.0000130100000000, -0.0000572500000000 ] - [ 0.0001688900000000, -0.0004667800000000, -0.0003347900000000 ] - [ 0.0043497400000000, 0.0026123800000000, -0.0002847800000000 ] - [ -0.0367900700000000, -0.0033656700000000, -0.0057418300000000 ] - [ -0.0004574800000000, 0.0005349300000000, 0.0008543200000000 ] - [ -0.0014544700000000, 0.0003194700000000, 0.0009463700000000 ] - [ 0.0002921100000000, 0.0000139100000000, 0.0002282400000000 ] - [ -0.0002120000000000, -0.0005510200000000, 0.0001277100000000 ] - [ 0.0000890200000000, -0.0005480800000000, 0.0000215500000000 ] - [ -0.0047803300000000, 0.0028234900000000, 0.0015631900000000 ] - [ 0.0006604200000000, 0.0002984100000000, 0.0014797600000000 ] - [ -0.0001402500000000, 0.0000912400000000, -0.0004351800000000 ] - [ 0.0012524600000000, -0.0002258700000000, -0.0003041400000000 ] - [ -0.0003351800000000, 0.0008378200000000, 0.0017785300000000 ] - [ 0.0000554200000000, -0.0008282600000000, 0.0000397500000000 ] - [ 0.0000698500000000, 0.0002809900000000, 0.0002374500000000 ] - [ 0.0001644700000000, 0.0003807900000000, -0.0001996200000000 ] - [ 0.0000280500000000, 0.0000673100000000, 0.0003870300000000 ] - [ -0.0014994900000000, 0.0002708100000000, -0.0000694100000000 ] - [ 0.0000382000000000, 0.0001117600000000, -0.0001105000000000 ] - [ 0.0008025900000000, 0.0003945400000000, 0.0072315500000000 ] - [ 0.0001382900000000, 0.0000839400000000, 0.0002310600000000 ] - [ -0.0005026100000000, -0.0003457300000000, 0.0003804800000000 ] - [ 0.0005162200000000, 0.0013528000000000, -0.0014506600000000 ] - [ -0.0006443200000000, 0.0002148100000000, -0.0002623700000000 ] - [ -0.0001014200000000, -0.0001047200000000, 0.0002539700000000 ] - [ -0.0001763900000000, 0.0007290400000000, -0.0002400000000000 ] - [ -0.0006851000000000, 0.0012156200000000, 0.0000524100000000 ] - [ -0.0002338300000000, -0.0004980200000000, 0.0001152500000000 ] - [ 0.0007988000000000, 0.0005264100000000, 0.0004302900000000 ] - [ 0.0004113600000000, -0.0008321300000000, -0.0002895000000000 ] - [ -0.0001386300000000, 0.0000851200000000, -0.0001848300000000 ] - [ 0.0998636200000000, 0.0292555700000000, -0.0492199100000000 ] - [ 0.0003638600000000, 0.0002767200000000, -0.0001725600000000 ] - [ -0.0004166100000000, -0.0001897500000000, -0.0003070600000000 ] - [ -0.0000813800000000, -0.0000172200000000, 0.0001167300000000 ] - [ -0.0001313000000000, -0.0002147600000000, 0.0000810900000000 ] - [ -0.0001977000000000, 0.0010876400000000, 0.0011953500000000 ] - [ -0.0004278700000000, 0.0000904600000000, -0.0001466000000000 ] - [ 0.0003428600000000, 0.0008950500000000, -0.0003044400000000 ] - [ 0.0003877100000000, -0.0000880300000000, 0.0002399200000000 ] - [ 0.0000097600000000, -0.0003184600000000, 0.0004718000000000 ] - [ 0.0001672400000000, 0.0005961300000000, -0.0000586000000000 ] - [ -0.0004783000000000, 0.0003181800000000, 0.0004970000000000 ] - [ 0.0001108700000000, -0.0007770400000000, 0.0005887100000000 ] - [ 0.0026150300000000, 0.0022663300000000, 0.0012317800000000 ] - [ -0.0004611200000000, 0.0004756700000000, 0.0006736400000000 ] - [ -0.0003171300000000, -0.0019021600000000, 0.0014101400000000 ] - [ 0.0000450200000000, 0.0004716500000000, 0.0004245300000000 ] - [ 0.0010945000000000, 0.0000616900000000, 0.0023277600000000 ] - [ 0.0004894600000000, 0.0002531900000000, -0.0008895800000000 ] - [ -0.0004205900000000, -0.0002956100000000, 0.0001326500000000 ] - [ -0.0002005700000000, -0.0003580400000000, 0.0000554900000000 ] - [ 0.0001268500000000, 0.0001316800000000, 0.0005928700000000 ] - [ 0.0002393600000000, 0.0012969600000000, -0.0003105000000000 ] - [ -0.0001530400000000, -0.0024949500000000, 0.0037540200000000 ] - [ 0.0002196400000000, -0.0001480300000000, -0.0006400900000000 ] - [ 0.0003363500000000, 0.0004599600000000, -0.0000954500000000 ] - [ -0.0016971500000000, -0.0010220500000000, 0.0007741900000000 ] - [ -0.0039632700000000, 0.0010613400000000, -0.0024022500000000 ] - [ 0.0001666200000000, -0.0003182700000000, 0.0002720800000000 ] - [ 0.0004365300000000, -0.0004516300000000, -0.0005603900000000 ] - [ 0.0004309400000000, -0.0012123100000000, -0.0008304600000000 ] - [ 0.0006734100000000, -0.0001265700000000, 0.0003884500000000 ] - [ 0.0000984500000000, -0.0000322100000000, -0.0005565000000000 ] - [ -0.0001243700000000, 0.0005684700000000, 0.0002667300000000 ] - [ -0.0002046000000000, 0.0004583500000000, -0.0002311800000000 ] - [ 0.0001845400000000, 0.0000616800000000, -0.0003360400000000 ] - [ -0.0002075100000000, 0.0000334500000000, 0.0001224300000000 ] - [ -0.0001360700000000, 0.0000088400000000, 0.0003287900000000 ] - [ -0.0000700100000000, 0.0000968000000000, 0.0006018500000000 ] - [ 0.0000092000000000, 0.0001435100000000, -0.0002536100000000 ] - [ 0.0004354900000000, -0.0002181800000000, 0.0002729000000000 ] - [ 0.0007574300000000, -0.0005196300000000, 0.0006528400000000 ] - [ -0.0041283100000000, 0.0003162700000000, -0.0004778400000000 ] - [ -0.0001787400000000, 0.0000327600000000, 0.0008301000000000 ] - [ 0.0002530400000000, -0.0003075900000000, 0.0005879700000000 ] - [ -0.0002465500000000, -0.0000938900000000, -0.0001104900000000 ] - [ -0.0004556500000000, -0.0003636400000000, 0.0008879500000000 ] - [ 0.0002731900000000, -0.0000665800000000, -0.0001954000000000 ]- atom: 129 displacement: [ 0.0035230240541542, 0.0000000000000000, -0.0093588621911988 ] forces: - [ 0.0001429800000000, -0.0000544800000000, 0.0000379900000000 ] - [ -0.0001587500000000, 0.0004002700000000, 0.0002179700000000 ] - [ 0.0003095300000000, -0.0000912600000000, 0.0004000700000000 ] - [ 0.0001485000000000, -0.0005784800000000, 0.0002628600000000 ] - [ -0.0000095500000000, -0.0003885200000000, -0.0000892500000000 ] - [ 0.0010856200000000, 0.0015270400000000, -0.0014325900000000 ] - [ -0.0001171200000000, -0.0003537400000000, 0.0001553900000000 ] - [ 0.0001264400000000, -0.0004588800000000, -0.0008762100000000 ] - [ 0.0000002700000000, 0.0000168400000000, -0.0000271300000000 ] - [ -0.0010189700000000, -0.0005709500000000, 0.0001120100000000 ] - [ -0.0000063500000000, 0.0004958600000000, 0.0001202600000000 ] - [ 0.0000908800000000, -0.0003453200000000, -0.0000334000000000 ] - [ 0.0004301400000000, -0.0001550800000000, 0.0001630200000000 ] - [ 0.0000139100000000, -0.0000485300000000, -0.0000899400000000 ] - [ 0.0001507000000000, 0.0003698600000000, 0.0002765400000000 ] - [ -0.0003344200000000, -0.0000293600000000, 0.0001358200000000 ] - [ 0.0020020300000000, -0.0007435900000000, -0.0018368900000000 ] - [ -0.0011171300000000, 0.0000239500000000, 0.0007782600000000 ] - [ -0.0003747300000000, 0.0002145600000000, -0.0002360500000000 ] - [ 0.0000557800000000, 0.0005966500000000, 0.0003706100000000 ] - [ 0.0003237700000000, 0.0000003200000000, -0.0001669300000000 ] - [ -0.0001231700000000, 0.0005447400000000, -0.0003148600000000 ] - [ 0.0015647400000000, -0.0014292400000000, -0.0008609800000000 ] - [ 0.0000144000000000, -0.0000849400000000, 0.0003850900000000 ] - [ 0.0001467100000000, -0.0002700800000000, 0.0002227200000000 ] - [ 0.0000379000000000, -0.0000539700000000, -0.0001340200000000 ] - [ -0.0044530900000000, -0.0046210100000000, 0.0031299400000000 ] - [ 0.0097963700000000, 0.0051852000000000, -0.0124516200000000 ] - [ 0.0001295000000000, 0.0001088200000000, 0.0003000900000000 ] - [ -0.0008991000000000, 0.0007408000000000, -0.0023311500000000 ] - [ -0.0009142400000000, 0.0001054400000000, -0.0002142000000000 ] - [ 0.0012791600000000, 0.0006385600000000, -0.0014300900000000 ] - [ -0.0001228100000000, 0.0004186600000000, 0.0004837300000000 ] - [ -0.0004135900000000, 0.0002375800000000, 0.0001881400000000 ] - [ -0.0001037300000000, -0.0001472500000000, 0.0002481900000000 ] - [ 0.0001280500000000, -0.0001587300000000, -0.0002401800000000 ] - [ 0.0026909900000000, 0.0013195300000000, 0.0028640800000000 ] - [ 0.0002093100000000, -0.0008423500000000, -0.0004082800000000 ] - [ -0.0066367300000000, 0.0038025300000000, -0.0019168900000000 ] - [ 0.0001184200000000, 0.0002207900000000, -0.0001538500000000 ] - [ 0.0003872700000000, -0.0015357300000000, -0.0012082800000000 ] - [ 0.0004966600000000, 0.0003369600000000, 0.0014429500000000 ] - [ -0.0000758400000000, -0.0004166700000000, 0.0034249600000000 ] - [ -0.0002111300000000, 0.0002771400000000, 0.0002819800000000 ] - [ -0.0012699200000000, 0.0087402800000000, -0.0039051600000000 ] - [ -0.0006702200000000, -0.0003032400000000, 0.0027604900000000 ] - [ -0.0001598100000000, 0.0000709900000000, 0.0016499600000000 ] - [ 0.0002439400000000, -0.0001289300000000, 0.0020787400000000 ] - [ -0.0001284200000000, -0.0002017600000000, -0.0000169500000000 ] - [ -0.0000766400000000, 0.0002107100000000, 0.0000621000000000 ] - [ -0.0004842300000000, -0.0005254800000000, -0.0000250700000000 ] - [ 0.0005582500000000, -0.0005079400000000, -0.0010048400000000 ] - [ 0.0543370000000000, 0.0218676100000000, -0.0458406200000000 ] - [ -0.0000553700000000, 0.0004403900000000, 0.0000094700000000 ] - [ -0.0001869200000000, 0.0000831700000000, 0.0003869300000000 ] - [ 0.0001076100000000, -0.0003809800000000, -0.0002224800000000 ] - [ 0.0004099900000000, -0.0000294500000000, 0.0001043100000000 ] - [ 0.0001118100000000, -0.0003931100000000, -0.0000214400000000 ] - [ -0.0029924900000000, 0.0005457000000000, -0.0005723700000000 ] - [ -0.0000679600000000, 0.0004693700000000, 0.0001220100000000 ] - [ -0.0020518500000000, 0.0016213300000000, 0.0008123600000000 ] - [ 0.0001080000000000, 0.0001058000000000, 0.0003117800000000 ] - [ -0.0000742600000000, 0.0002912000000000, 0.0001493200000000 ] - [ -0.0007580800000000, 0.0005115800000000, 0.0008145500000000 ] - [ -0.0001236800000000, -0.0000650600000000, -0.0003152700000000 ] - [ 0.0012470300000000, -0.0019861700000000, 0.0004628300000000 ] - [ -0.0004660600000000, 0.0009045600000000, 0.0015570700000000 ] - [ 0.0019931800000000, 0.0018723800000000, -0.0009407100000000 ] - [ -0.0003867700000000, 0.0009845100000000, 0.0009537700000000 ] - [ 0.0001410000000000, 0.0001607100000000, -0.0000905000000000 ] - [ 0.0017098900000000, 0.0007261300000000, 0.0020822000000000 ] - [ 0.0005945100000000, -0.0007165200000000, 0.0003153400000000 ] - [ 0.0001342600000000, -0.0039515600000000, 0.0060148700000000 ] - [ -0.0003461000000000, -0.0000474100000000, 0.0003443400000000 ] - [ 0.0002472700000000, -0.0000397700000000, -0.0003705300000000 ] - [ -0.0001584200000000, -0.0003373900000000, 0.0002963100000000 ] - [ 0.0000164800000000, -0.0001664600000000, -0.0000520300000000 ] - [ -0.0006155800000000, 0.0007058200000000, -0.0000287500000000 ] - [ 0.0004656600000000, -0.0003096500000000, 0.0001976500000000 ] - [ -0.0005694600000000, -0.0006732800000000, -0.0001675600000000 ] - [ 0.0004190100000000, 0.0022928400000000, 0.0000488700000000 ] - [ 0.0001321400000000, -0.0004605700000000, 0.0025723700000000 ] - [ -0.0003100600000000, -0.0000752700000000, 0.0001904500000000 ] - [ -0.0015616100000000, 0.0023367700000000, 0.0019939100000000 ] - [ 0.0000349700000000, 0.0011875000000000, 0.0009703600000000 ] - [ 0.0002605800000000, 0.0000044100000000, 0.0000397300000000 ] - [ 0.0003249300000000, 0.0000856500000000, -0.0001192800000000 ] - [ -0.0002612200000000, -0.0000061900000000, -0.0001244500000000 ] - [ -0.0000725000000000, 0.0001368300000000, -0.0000646200000000 ] - [ 0.0004076000000000, -0.0005656400000000, -0.0003537400000000 ] - [ 0.0077143100000000, 0.0025726700000000, -0.0078185100000000 ] - [ 0.0003348400000000, -0.0011178800000000, 0.0009930100000000 ] - [ -0.0002417500000000, 0.0002993300000000, 0.0003682100000000 ] - [ -0.0000559800000000, 0.0006671400000000, -0.0008972700000000 ] - [ -0.0092456600000000, -0.0054153700000000, 0.0170459700000000 ] - [ 0.0036185100000000, -0.0012152300000000, 0.0003643000000000 ] - [ 0.0000651600000000, 0.0007818000000000, 0.0003020000000000 ] - [ -0.0000174000000000, -0.0007129400000000, -0.0000028100000000 ] - [ -0.0047445000000000, -0.0025489000000000, 0.0007252600000000 ] - [ 0.0365630800000000, 0.0042399400000000, 0.0059039400000000 ] - [ 0.0005846500000000, -0.0005105700000000, -0.0016802400000000 ] - [ 0.0008800500000000, -0.0002874800000000, -0.0015063900000000 ] - [ 0.0002783600000000, 0.0000129100000000, 0.0003418300000000 ] - [ -0.0000082600000000, -0.0005772800000000, 0.0002402700000000 ] - [ 0.0001874600000000, -0.0005354800000000, -0.0003688200000000 ] - [ 0.0044880900000000, -0.0027083500000000, -0.0013545900000000 ] - [ -0.0011497100000000, -0.0002306700000000, -0.0016900600000000 ] - [ 0.0006194100000000, 0.0004184200000000, -0.0004020200000000 ] - [ -0.0010119200000000, 0.0001379600000000, 0.0001055700000000 ] - [ 0.0000054000000000, -0.0002953200000000, -0.0011875100000000 ] - [ -0.0003884800000000, 0.0002863800000000, 0.0005439200000000 ] - [ 0.0004982900000000, -0.0003723500000000, -0.0000296800000000 ] - [ 0.0001669400000000, 0.0001585800000000, -0.0003844600000000 ] - [ 0.0000402900000000, 0.0000563200000000, 0.0002766600000000 ] - [ 0.0010059100000000, -0.0007773500000000, 0.0008985300000000 ] - [ 0.0001970100000000, -0.0000239700000000, -0.0000818600000000 ] - [ -0.0002380000000000, -0.0003063900000000, -0.0069251600000000 ] - [ 0.0001869000000000, 0.0000553300000000, 0.0001013900000000 ] - [ 0.0002300400000000, -0.0004347000000000, -0.0006227300000000 ] - [ -0.0001725600000000, -0.0014868200000000, 0.0017717000000000 ] - [ 0.0001627900000000, 0.0005851000000000, 0.0001963900000000 ] - [ -0.0001731100000000, -0.0001364100000000, 0.0000775600000000 ] - [ -0.0001502200000000, -0.0008695800000000, -0.0000920300000000 ] - [ 0.0009047900000000, -0.0008828600000000, 0.0000641300000000 ] - [ -0.0001522200000000, -0.0003692000000000, -0.0001748400000000 ] - [ -0.0010248500000000, -0.0006559400000000, -0.0007186000000000 ] - [ -0.0004782200000000, 0.0007208000000000, -0.0003750300000000 ] - [ -0.0000910800000000, 0.0000507300000000, -0.0000955500000000 ] - [ -0.0986311500000000, -0.0291180200000000, 0.0483974700000000 ] - [ 0.0006033600000000, 0.0003107200000000, 0.0000403600000000 ] - [ -0.0000701100000000, 0.0001172900000000, 0.0000888900000000 ] - [ -0.0001546200000000, -0.0000722200000000, 0.0000773800000000 ] - [ -0.0000863600000000, -0.0001156100000000, -0.0001976100000000 ] - [ 0.0003490000000000, 0.0000953700000000, -0.0015273000000000 ] - [ -0.0005133000000000, 0.0000492200000000, 0.0000247000000000 ] - [ -0.0000516300000000, 0.0001871100000000, -0.0000449900000000 ] - [ 0.0005567600000000, -0.0000572200000000, -0.0001166900000000 ] - [ 0.0003817800000000, 0.0002517100000000, -0.0008852100000000 ] - [ 0.0000519200000000, 0.0005309100000000, -0.0003092700000000 ] - [ -0.0004580600000000, -0.0004537000000000, -0.0006179100000000 ] - [ -0.0003870300000000, -0.0003136500000000, -0.0002388600000000 ] - [ -0.0031489300000000, -0.0023351000000000, -0.0014359300000000 ] - [ 0.0003919300000000, -0.0003530300000000, -0.0013363200000000 ] - [ -0.0002268500000000, 0.0020829500000000, -0.0009294500000000 ] - [ -0.0002654800000000, 0.0006553600000000, -0.0000563300000000 ] - [ -0.0006188800000000, 0.0000404100000000, -0.0025944700000000 ] - [ -0.0007158600000000, -0.0003914600000000, 0.0012894900000000 ] - [ -0.0005460000000000, -0.0002938400000000, -0.0000007000000000 ] - [ -0.0002715500000000, -0.0004447400000000, -0.0001211200000000 ] - [ 0.0001008200000000, -0.0002706700000000, -0.0003131000000000 ] - [ -0.0000096800000000, -0.0014354100000000, -0.0001095800000000 ] - [ 0.0003818400000000, 0.0026059700000000, -0.0041566600000000 ] - [ 0.0002642900000000, -0.0003621300000000, -0.0001926500000000 ] - [ 0.0000513700000000, 0.0004049800000000, 0.0001543700000000 ] - [ 0.0012001600000000, 0.0009116300000000, -0.0005160200000000 ] - [ 0.0036851900000000, -0.0008262900000000, 0.0027178000000000 ] - [ 0.0001029300000000, -0.0004594900000000, -0.0000290600000000 ] - [ 0.0000491800000000, 0.0003830500000000, 0.0007789600000000 ] - [ -0.0000981200000000, 0.0006773100000000, 0.0002609600000000 ] - [ -0.0003961600000000, -0.0001110700000000, -0.0007186500000000 ] - [ 0.0000332700000000, 0.0000124000000000, -0.0002730600000000 ] - [ -0.0000261300000000, 0.0006094900000000, 0.0000722400000000 ] - [ -0.0000098700000000, -0.0001262900000000, 0.0001132100000000 ] - [ 0.0002075800000000, 0.0000031100000000, -0.0000829800000000 ] - [ -0.0002789500000000, 0.0000707000000000, 0.0001280600000000 ] - [ -0.0000962500000000, 0.0001249700000000, 0.0000987100000000 ] - [ -0.0000613400000000, -0.0000781300000000, 0.0002295700000000 ] - [ 0.0002652600000000, 0.0000946300000000, -0.0000778100000000 ] - [ -0.0002144100000000, -0.0001167200000000, -0.0001564700000000 ] - [ 0.0002062400000000, -0.0000657400000000, -0.0007853700000000 ] - [ 0.0031603400000000, 0.0002720400000000, 0.0006098800000000 ] - [ 0.0007363600000000, -0.0002023500000000, -0.0012976900000000 ] - [ -0.0005747400000000, 0.0004452500000000, -0.0009173500000000 ] - [ -0.0003247900000000, 0.0000654700000000, -0.0004656000000000 ] - [ 0.0008411700000000, -0.0004991300000000, -0.0008268800000000 ] - [ 0.0002800800000000, 0.0002391900000000, -0.0002790400000000 ]- atom: 130 displacement: [ 0.0099999639143206, 0.0000000000000000, -0.0000268647033593 ] forces: - [ -0.0011617500000000, 0.0004162400000000, -0.0000407800000000 ] - [ -0.0002829600000000, 0.0004011600000000, -0.0004187600000000 ] - [ 0.0003440400000000, -0.0000365800000000, -0.0001424500000000 ] - [ 0.0001668800000000, -0.0001060300000000, 0.0001908800000000 ] - [ -0.0002885200000000, -0.0002579900000000, 0.0000932400000000 ] - [ -0.0003130700000000, -0.0002403400000000, -0.0000450400000000 ] - [ -0.0000851300000000, -0.0003585000000000, -0.0006209000000000 ] - [ 0.0003735200000000, 0.0000790300000000, 0.0002071400000000 ] - [ -0.0000843300000000, -0.0002579000000000, 0.0001894200000000 ] - [ 0.0002469900000000, 0.0000613100000000, 0.0001586600000000 ] - [ 0.0011804000000000, -0.0001054500000000, 0.0013530600000000 ] - [ -0.0009385100000000, 0.0001122300000000, 0.0002728500000000 ] - [ 0.0008405900000000, -0.0002378200000000, -0.0006219800000000 ] - [ 0.0007943700000000, -0.0006637200000000, -0.0012531000000000 ] - [ 0.0002153100000000, -0.0002983800000000, 0.0002324500000000 ] - [ 0.0005223800000000, 0.0001481600000000, -0.0000636700000000 ] - [ -0.0003010900000000, -0.0004644600000000, -0.0000355600000000 ] - [ -0.0004001700000000, -0.0002125300000000, -0.0001004100000000 ] - [ 0.0019576300000000, 0.0003470500000000, -0.0005619500000000 ] - [ 0.0000892300000000, 0.0004959600000000, -0.0000177200000000 ] - [ -0.0024331000000000, 0.0008757800000000, 0.0024092000000000 ] - [ 0.0001985600000000, 0.0005468200000000, -0.0002909400000000 ] - [ -0.0002751900000000, -0.0000206900000000, 0.0000934900000000 ] - [ 0.0000283900000000, -0.0000248200000000, -0.0001067900000000 ] - [ -0.0100450900000000, -0.0083772300000000, 0.0009089800000000 ] - [ 0.0102248600000000, 0.0131952100000000, 0.0011791600000000 ] - [ -0.0003246100000000, -0.0008529800000000, 0.0001167100000000 ] - [ 0.0004910600000000, -0.0011083300000000, -0.0002339300000000 ] - [ -0.0000165500000000, -0.0000092500000000, -0.0015217700000000 ] - [ 0.0011382200000000, -0.0004709600000000, -0.0001309700000000 ] - [ 0.0093115300000000, 0.0127747300000000, -0.0000967000000000 ] - [ -0.0053052800000000, -0.0011115600000000, 0.0015014800000000 ] - [ -0.0027174800000000, 0.0013754200000000, -0.0013371300000000 ] - [ -0.0002056500000000, -0.0000180400000000, -0.0005521600000000 ] - [ -0.0002266300000000, 0.0001753100000000, -0.0022753600000000 ] - [ -0.0000314800000000, 0.0001070800000000, 0.0006463300000000 ] - [ 0.0001097800000000, 0.0000004400000000, -0.0000936200000000 ] - [ 0.0036061200000000, -0.0029893900000000, -0.0032456200000000 ] - [ -0.0002655500000000, 0.0008360100000000, 0.0002365400000000 ] - [ -0.0104044500000000, 0.0033375700000000, -0.0079414200000000 ] - [ -0.0015558400000000, 0.0002727200000000, 0.0002796000000000 ] - [ 0.0002195100000000, 0.0002820000000000, 0.0002595200000000 ] - [ 0.0000082800000000, -0.0003406500000000, -0.0002587600000000 ] - [ -0.0016274000000000, 0.0002364300000000, -0.0005042700000000 ] - [ -0.0001287200000000, -0.0001703600000000, 0.0000431700000000 ] - [ 0.0000701400000000, 0.0004199800000000, -0.0004289000000000 ] - [ 0.0000729000000000, 0.0003580400000000, 0.0002315600000000 ] - [ -0.0000925100000000, -0.0002929200000000, 0.0004581700000000 ] - [ -0.0003734300000000, 0.0001877400000000, -0.0000617600000000 ] - [ 0.1880448300000000, 0.0744239700000000, 0.0080211800000000 ] - [ 0.0003034600000000, -0.0000119400000000, -0.0005392800000000 ] - [ 0.0001281200000000, -0.0000390400000000, 0.0005228200000000 ] - [ -0.0001898400000000, 0.0002126900000000, -0.0000604100000000 ] - [ -0.0104991700000000, -0.0011109500000000, 0.0029720500000000 ] - [ 0.0001450600000000, -0.0003815700000000, 0.0000307200000000 ] - [ -0.0016640800000000, -0.0008577700000000, -0.0031345500000000 ] - [ -0.0000049400000000, 0.0001721900000000, -0.0001445400000000 ] - [ 0.0003573700000000, -0.0001762300000000, -0.0006107000000000 ] - [ 0.0001764500000000, 0.0001753600000000, -0.0000658700000000 ] - [ 0.0010629300000000, 0.0009650000000000, 0.0000116900000000 ] - [ 0.0001933100000000, -0.0000600800000000, -0.0000373500000000 ] - [ 0.0028856100000000, 0.0018857100000000, -0.0010701700000000 ] - [ 0.0000023100000000, 0.0004678700000000, 0.0000824600000000 ] - [ -0.0001995700000000, -0.0003799400000000, 0.0000628800000000 ] - [ 0.0003310300000000, -0.0001745200000000, 0.0021924300000000 ] - [ 0.0000324000000000, -0.0000305200000000, -0.0001312100000000 ] - [ -0.0002216500000000, 0.0001368700000000, -0.0001609000000000 ] - [ 0.0000638100000000, 0.0003597200000000, -0.0002372300000000 ] - [ -0.0019380000000000, 0.0013420100000000, 0.0007645900000000 ] - [ 0.0000789500000000, 0.0011796400000000, -0.0031550000000000 ] - [ -0.0002466700000000, -0.0001110300000000, 0.0005180500000000 ] - [ 0.0037651800000000, -0.0065635200000000, 0.0005498800000000 ] - [ -0.0002185600000000, -0.0005382600000000, 0.0002488600000000 ] - [ 0.0050468400000000, -0.0022173500000000, 0.0023373000000000 ] - [ -0.0007036200000000, 0.0012145400000000, 0.0026866000000000 ] - [ -0.0020558100000000, -0.0032538300000000, -0.0010182000000000 ] - [ -0.0000445000000000, -0.0002547000000000, 0.0000454100000000 ] - [ -0.0013488200000000, 0.0012909800000000, 0.0001717500000000 ] - [ 0.0000433400000000, -0.0002201500000000, 0.0000854100000000 ] - [ -0.0010914500000000, -0.0009234200000000, -0.0000477200000000 ] - [ -0.0031922100000000, 0.0011952300000000, -0.0005625600000000 ] - [ 0.0000219400000000, -0.0000662600000000, 0.0000331000000000 ] - [ 0.0008333200000000, -0.0016383000000000, 0.0035873300000000 ] - [ -0.0000463000000000, 0.0034506700000000, -0.0007135000000000 ] - [ 0.0006562500000000, 0.0009999500000000, 0.0003762400000000 ] - [ 0.0000276700000000, -0.0002285100000000, -0.0013456500000000 ] - [ -0.0062539900000000, 0.0034484300000000, 0.0030445500000000 ] - [ 0.0016986000000000, -0.0000155300000000, 0.0013062000000000 ] - [ -0.0013270000000000, 0.0006024200000000, 0.0000234100000000 ] - [ 0.0002208400000000, -0.0002840600000000, 0.0000314600000000 ] - [ 0.0000430500000000, 0.0002497400000000, 0.0002048700000000 ] - [ 0.0016562300000000, -0.0001895400000000, -0.0001825500000000 ] - [ -0.0011063900000000, 0.0001456600000000, -0.0005425100000000 ] - [ 0.0003276700000000, -0.0000585700000000, 0.0003444600000000 ] - [ 0.0000954600000000, -0.0004731300000000, 0.0001272400000000 ] - [ -0.0003645500000000, -0.0005936300000000, -0.0002307800000000 ] - [ 0.0019981000000000, 0.0020662900000000, 0.0002312400000000 ] - [ 0.0042530100000000, -0.0001759600000000, -0.0012169600000000 ] - [ -0.0002898500000000, 0.0001715500000000, -0.0000708800000000 ] - [ 0.0001657200000000, 0.0003705800000000, -0.0000782100000000 ] - [ -0.0000529200000000, 0.0000260300000000, -0.0006343000000000 ] - [ -0.0002261000000000, -0.0001152600000000, -0.0000619700000000 ] - [ 0.0001267700000000, -0.0045665300000000, 0.0055722100000000 ] - [ 0.0035328000000000, 0.0348103800000000, 0.0002503700000000 ] - [ 0.0001417800000000, -0.0006979800000000, 0.0000558000000000 ] - [ -0.0003983300000000, 0.0001369600000000, 0.0000635700000000 ] - [ -0.0003225100000000, 0.0000560700000000, -0.0001407200000000 ] - [ 0.0002026200000000, 0.0002933500000000, -0.0005354000000000 ] - [ 0.0001995600000000, -0.0000253900000000, -0.0001787300000000 ] - [ -0.0001276100000000, 0.0002511300000000, 0.0005205200000000 ] - [ 0.0012000100000000, 0.0008781800000000, -0.0001462600000000 ] - [ 0.0024688100000000, -0.0016703500000000, 0.0014075000000000 ] - [ -0.0004512900000000, -0.0013605900000000, 0.0021314900000000 ] - [ 0.0002876000000000, -0.0004828100000000, 0.0008599300000000 ] - [ -0.0004924600000000, 0.0000182000000000, 0.0001382400000000 ] - [ -0.0013561800000000, -0.0023228100000000, 0.0029881400000000 ] - [ 0.0003527400000000, 0.0001623000000000, 0.0001289800000000 ] - [ 0.0001962600000000, -0.0000275400000000, 0.0003279400000000 ] - [ -0.0000972100000000, -0.0002554900000000, -0.0000206300000000 ] - [ -0.0000132000000000, -0.0006494600000000, 0.0001590200000000 ] - [ 0.0001372700000000, 0.0024744900000000, 0.0001208200000000 ] - [ -0.0001273500000000, -0.0001332400000000, 0.0000677400000000 ] - [ 0.0024248400000000, -0.0027029400000000, -0.0000823400000000 ] - [ 0.0019757100000000, -0.0030893500000000, 0.0002578600000000 ] - [ -0.0002036700000000, -0.0003167200000000, 0.0005636500000000 ] - [ -0.0000306400000000, -0.0000291700000000, -0.0001350200000000 ] - [ 0.0051301400000000, 0.0109423200000000, -0.0002112000000000 ] - [ 0.0022526100000000, 0.0015113900000000, 0.0038796800000000 ] - [ 0.0007182400000000, 0.0003912500000000, 0.0000268700000000 ] - [ -0.2904944300000000, -0.1237150400000000, -0.0191329200000000 ] - [ -0.0025548700000000, -0.0011871200000000, -0.0040593700000000 ] - [ 0.0005027600000000, -0.0003565800000000, -0.0010153800000000 ] - [ -0.0001145600000000, -0.0002987700000000, -0.0002015200000000 ] - [ 0.0000744500000000, 0.0006648300000000, -0.0001288300000000 ] - [ 0.0086697800000000, -0.0009219800000000, -0.0005180400000000 ] - [ 0.0013171100000000, -0.0018430500000000, 0.0000344600000000 ] - [ 0.0004447100000000, -0.0001117200000000, 0.0003426400000000 ] - [ 0.0000894800000000, 0.0000332900000000, 0.0000809200000000 ] - [ 0.0000761100000000, 0.0006273500000000, -0.0001024600000000 ] - [ -0.0004462700000000, -0.0000596000000000, 0.0000144200000000 ] - [ -0.0000868400000000, -0.0004148500000000, 0.0003799100000000 ] - [ -0.0001981600000000, -0.0000229900000000, -0.0001097600000000 ] - [ -0.0000137000000000, 0.0001924400000000, -0.0002862000000000 ] - [ -0.0000941500000000, 0.0000514800000000, 0.0003430700000000 ] - [ -0.0001173000000000, 0.0005665500000000, 0.0001589800000000 ] - [ 0.0003051400000000, 0.0001346000000000, -0.0001719300000000 ] - [ 0.0001593900000000, -0.0001660600000000, 0.0000959300000000 ] - [ -0.0003212900000000, -0.0003012600000000, 0.0002565500000000 ] - [ -0.0000685900000000, -0.0005966500000000, -0.0001786400000000 ] - [ 0.0010390500000000, 0.0000072900000000, -0.0000246700000000 ] - [ 0.0011130200000000, -0.0000018200000000, -0.0010968900000000 ] - [ 0.0000927800000000, 0.0002786900000000, -0.0001342900000000 ] - [ -0.0029110000000000, -0.0002635700000000, 0.0003530700000000 ] - [ 0.0135439400000000, -0.0021079700000000, -0.0012527200000000 ] - [ -0.0003095700000000, 0.0000396200000000, 0.0002348200000000 ] - [ -0.0003853400000000, 0.0002204500000000, 0.0001349200000000 ] - [ 0.0002230300000000, -0.0006350000000000, 0.0003683900000000 ] - [ 0.0000196600000000, 0.0001334000000000, 0.0001934300000000 ] - [ 0.0004009500000000, -0.0003761400000000, -0.0002993400000000 ] - [ 0.0001352200000000, -0.0000909300000000, -0.0001408600000000 ] - [ -0.0002423400000000, -0.0021923600000000, -0.0036547500000000 ] - [ -0.0000773700000000, 0.0004581600000000, 0.0007966500000000 ] - [ -0.0022197700000000, -0.0009337900000000, 0.0000491500000000 ] - [ 0.0018388100000000, 0.0006484400000000, -0.0040500700000000 ] - [ 0.0017136000000000, -0.0008526100000000, -0.0010536200000000 ] - [ 0.0001168100000000, 0.0007212800000000, 0.0023749600000000 ] - [ -0.0008019800000000, -0.0005766200000000, 0.0020983000000000 ] - [ 0.0691883600000000, 0.0024837100000000, 0.0048877300000000 ] - [ 0.0001439100000000, -0.0000555800000000, 0.0001157200000000 ] - [ 0.0004841400000000, -0.0002689500000000, -0.0000649400000000 ] - [ -0.0006678800000000, 0.0003430600000000, 0.0000345000000000 ] - [ 0.0004110300000000, -0.0001049400000000, -0.0000913100000000 ] - [ -0.0001587500000000, 0.0001804200000000, -0.0001420400000000 ] - [ 0.0006311300000000, 0.0007810800000000, 0.0013820800000000 ] - [ 0.0001905100000000, -0.0004228000000000, 0.0000816200000000 ] - [ 0.0079329200000000, 0.0032919500000000, 0.0024078900000000 ]- atom: 130 displacement: [ -0.0099999639143206, 0.0000000000000000, 0.0000268647033593 ] forces: - [ 0.0013512900000000, -0.0006223700000000, 0.0002213100000000 ] - [ 0.0001534700000000, 0.0000352600000000, 0.0003610600000000 ] - [ 0.0002695200000000, 0.0000275200000000, -0.0000054200000000 ] - [ -0.0000740800000000, -0.0005585200000000, 0.0000885300000000 ] - [ 0.0001921600000000, -0.0004068800000000, -0.0003729600000000 ] - [ 0.0001235800000000, 0.0000260400000000, -0.0001390200000000 ] - [ -0.0001000400000000, 0.0005708600000000, 0.0004367200000000 ] - [ 0.0004938800000000, 0.0002579700000000, 0.0000105000000000 ] - [ 0.0001423000000000, 0.0001552200000000, -0.0003036600000000 ] - [ -0.0003057100000000, 0.0000460000000000, -0.0000439500000000 ] - [ -0.0010891300000000, 0.0007652900000000, -0.0010690200000000 ] - [ 0.0010674500000000, -0.0005448300000000, -0.0002104100000000 ] - [ 0.0000225800000000, -0.0001012600000000, 0.0008341300000000 ] - [ -0.0007388400000000, 0.0007632800000000, 0.0011354700000000 ] - [ -0.0002686300000000, 0.0001950900000000, -0.0001213200000000 ] - [ -0.0011368500000000, -0.0001622800000000, 0.0002180200000000 ] - [ 0.0001747600000000, 0.0000250700000000, -0.0000220900000000 ] - [ -0.0004675700000000, -0.0001230100000000, -0.0001169900000000 ] - [ -0.0026878000000000, 0.0000377700000000, 0.0001962100000000 ] - [ 0.0000376500000000, -0.0000575600000000, 0.0000756600000000 ] - [ 0.0030448600000000, -0.0008730400000000, -0.0025696200000000 ] - [ -0.0002923100000000, 0.0001211400000000, 0.0000105600000000 ] - [ -0.0003383400000000, 0.0000314600000000, 0.0000544400000000 ] - [ 0.0001613500000000, 0.0002394800000000, 0.0002915100000000 ] - [ 0.0105380400000000, 0.0081189900000000, 0.0000105400000000 ] - [ -0.0100069100000000, -0.0137776900000000, -0.0008686100000000 ] - [ -0.0000475800000000, -0.0001696700000000, 0.0005479700000000 ] - [ -0.0010099000000000, 0.0007940600000000, -0.0006850300000000 ] - [ -0.0000526400000000, 0.0004796700000000, 0.0012171000000000 ] - [ -0.0009518900000000, 0.0007869000000000, -0.0007401800000000 ] - [ -0.0097397900000000, -0.0122267100000000, 0.0009557400000000 ] - [ 0.0054245400000000, 0.0014663500000000, -0.0014111000000000 ] - [ 0.0023401500000000, -0.0003499600000000, 0.0019835800000000 ] - [ -0.0003194700000000, 0.0003353000000000, -0.0003563700000000 ] - [ 0.0001118900000000, -0.0005485100000000, 0.0021871500000000 ] - [ 0.0002176700000000, -0.0004220600000000, -0.0015221500000000 ] - [ 0.0002878900000000, 0.0001856600000000, 0.0000071900000000 ] - [ -0.0026738700000000, 0.0020475400000000, 0.0031267400000000 ] - [ 0.0001912400000000, -0.0013058800000000, -0.0005233700000000 ] - [ 0.0108259600000000, -0.0035600700000000, 0.0079269300000000 ] - [ 0.0014410100000000, 0.0001059800000000, -0.0003669800000000 ] - [ 0.0003038300000000, 0.0000397000000000, 0.0006601800000000 ] - [ 0.0001089300000000, -0.0000323400000000, 0.0003461300000000 ] - [ 0.0012339600000000, -0.0000531700000000, 0.0005995200000000 ] - [ -0.0002677600000000, -0.0000106100000000, 0.0000438500000000 ] - [ 0.0003018400000000, 0.0006069800000000, -0.0002340900000000 ] - [ -0.0000030500000000, 0.0001170400000000, 0.0000572900000000 ] - [ -0.0000940500000000, -0.0000193800000000, 0.0004118200000000 ] - [ 0.0000557200000000, -0.0006611800000000, 0.0000076300000000 ] - [ -0.1998244400000000, -0.0820662300000000, -0.0084515100000000 ] - [ 0.0001478100000000, 0.0000818200000000, -0.0001545000000000 ] - [ 0.0001652700000000, -0.0000941000000000, 0.0000205600000000 ] - [ 0.0006100300000000, 0.0004503300000000, -0.0001778700000000 ] - [ 0.0100578400000000, 0.0017402700000000, -0.0027124100000000 ] - [ 0.0001716900000000, -0.0000935700000000, 0.0000235500000000 ] - [ 0.0019634100000000, 0.0000811500000000, 0.0026856400000000 ] - [ 0.0000383000000000, 0.0004399200000000, -0.0000723900000000 ] - [ 0.0000650800000000, -0.0004895800000000, 0.0003722100000000 ] - [ -0.0002480000000000, 0.0002230800000000, -0.0001022900000000 ] - [ -0.0010954500000000, -0.0015744800000000, 0.0002045600000000 ] - [ -0.0004883400000000, 0.0001943000000000, -0.0005053900000000 ] - [ -0.0026291700000000, -0.0017662500000000, 0.0015792500000000 ] - [ -0.0000345900000000, 0.0001442600000000, 0.0001340700000000 ] - [ -0.0002203700000000, -0.0002808500000000, 0.0001765500000000 ] - [ -0.0006181100000000, 0.0000443000000000, -0.0027491000000000 ] - [ 0.0002199200000000, -0.0002267000000000, -0.0000094400000000 ] - [ -0.0000328600000000, 0.0001247600000000, 0.0003036800000000 ] - [ 0.0002374400000000, 0.0004227000000000, -0.0002200300000000 ] - [ 0.0016443200000000, -0.0005670400000000, -0.0003071200000000 ] - [ 0.0001838800000000, -0.0009044500000000, 0.0030286800000000 ] - [ -0.0002008200000000, 0.0000436500000000, 0.0001754000000000 ] - [ -0.0034157700000000, 0.0070347700000000, -0.0004924500000000 ] - [ -0.0000799600000000, -0.0002405900000000, 0.0002056600000000 ] - [ -0.0055204600000000, 0.0023054700000000, -0.0016227500000000 ] - [ 0.0011472200000000, -0.0012816900000000, -0.0033882300000000 ] - [ 0.0017961300000000, 0.0029773500000000, 0.0011496100000000 ] - [ -0.0000276500000000, -0.0001441700000000, -0.0002145700000000 ] - [ 0.0013646000000000, -0.0019179300000000, -0.0003869100000000 ] - [ 0.0000281800000000, -0.0001743800000000, 0.0000831600000000 ] - [ 0.0007697700000000, 0.0014045800000000, -0.0000049800000000 ] - [ 0.0036499800000000, -0.0004027700000000, 0.0006269300000000 ] - [ -0.0001513800000000, 0.0000460900000000, 0.0007977500000000 ] - [ -0.0013893600000000, 0.0014442200000000, -0.0030902600000000 ] - [ -0.0002330200000000, -0.0026627000000000, 0.0004681000000000 ] - [ -0.0005871400000000, -0.0011241700000000, 0.0002873600000000 ] - [ 0.0004634000000000, 0.0002998700000000, 0.0015661300000000 ] - [ 0.0066871900000000, -0.0035731900000000, -0.0033572200000000 ] - [ -0.0022633900000000, 0.0000981900000000, -0.0015213800000000 ] - [ 0.0009433200000000, -0.0006771600000000, 0.0003738500000000 ] - [ 0.0002527800000000, -0.0005194100000000, 0.0000338900000000 ] - [ 0.0001844600000000, -0.0001133700000000, 0.0000742500000000 ] - [ -0.0019282600000000, 0.0012827300000000, 0.0005303400000000 ] - [ 0.0006213300000000, 0.0003662100000000, 0.0013819000000000 ] - [ 0.0002424100000000, 0.0000303800000000, 0.0002269600000000 ] - [ -0.0002464000000000, -0.0007080700000000, 0.0002120900000000 ] - [ 0.0005841800000000, -0.0005345900000000, -0.0001370900000000 ] - [ -0.0017291200000000, -0.0012923800000000, 0.0000122300000000 ] - [ -0.0041008800000000, -0.0009801800000000, 0.0008704300000000 ] - [ -0.0001025300000000, -0.0001056300000000, 0.0004856400000000 ] - [ -0.0005515100000000, 0.0004942800000000, 0.0000190700000000 ] - [ 0.0001840300000000, -0.0000071000000000, -0.0001970800000000 ] - [ -0.0003433300000000, 0.0001412900000000, -0.0005099400000000 ] - [ 0.0004017500000000, 0.0045853300000000, -0.0050040400000000 ] - [ -0.0034753700000000, -0.0359399100000000, 0.0001145100000000 ] - [ 0.0001329500000000, -0.0003882100000000, -0.0004038600000000 ] - [ 0.0001609800000000, -0.0000480100000000, 0.0001301400000000 ] - [ -0.0001628600000000, 0.0000138300000000, -0.0000729700000000 ] - [ 0.0002807600000000, 0.0002161300000000, -0.0003002500000000 ] - [ 0.0000380000000000, -0.0000645500000000, -0.0000143700000000 ] - [ -0.0002031900000000, 0.0002890000000000, 0.0000649200000000 ] - [ -0.0015303900000000, -0.0014098500000000, 0.0007311200000000 ] - [ -0.0019104600000000, 0.0015950600000000, -0.0012154400000000 ] - [ 0.0007792200000000, 0.0018934800000000, -0.0027157600000000 ] - [ -0.0002183600000000, 0.0006030500000000, -0.0001920700000000 ] - [ 0.0000115000000000, -0.0005296200000000, 0.0006987500000000 ] - [ 0.0016338600000000, 0.0024269100000000, -0.0031867500000000 ] - [ 0.0002131600000000, -0.0000727800000000, 0.0000776000000000 ] - [ 0.0001280400000000, 0.0001663500000000, 0.0000036800000000 ] - [ -0.0001743900000000, -0.0005222700000000, -0.0002233900000000 ] - [ 0.0003390500000000, 0.0005065800000000, 0.0001732700000000 ] - [ -0.0006030300000000, -0.0016727500000000, -0.0001861300000000 ] - [ -0.0001470200000000, -0.0001054600000000, 0.0002625800000000 ] - [ -0.0027381500000000, 0.0025847300000000, -0.0002506000000000 ] - [ -0.0017417200000000, 0.0034107700000000, -0.0001407600000000 ] - [ -0.0001824900000000, -0.0005453300000000, -0.0006192800000000 ] - [ -0.0002006200000000, -0.0001095000000000, -0.0001464300000000 ] - [ -0.0051992000000000, -0.0109722900000000, -0.0004511100000000 ] - [ -0.0024755400000000, -0.0013860700000000, -0.0041738400000000 ] - [ 0.0002230700000000, -0.0002497000000000, 0.0000959400000000 ] - [ 0.3037445400000000, 0.1322421100000000, 0.0192426800000000 ] - [ 0.0020885000000000, 0.0011092100000000, 0.0038306300000000 ] - [ -0.0007445500000000, 0.0002643500000000, 0.0012098200000000 ] - [ -0.0001025900000000, -0.0000334000000000, 0.0000849800000000 ] - [ 0.0000769500000000, 0.0005107700000000, -0.0002111300000000 ] - [ -0.0096077000000000, 0.0010468300000000, 0.0003861100000000 ] - [ -0.0010440200000000, 0.0029304600000000, -0.0003839300000000 ] - [ 0.0004961200000000, -0.0000284300000000, -0.0002226600000000 ] - [ 0.0003027800000000, -0.0001002000000000, -0.0004966400000000 ] - [ 0.0001440900000000, 0.0005034500000000, -0.0002645400000000 ] - [ -0.0004926000000000, -0.0000810600000000, -0.0001370800000000 ] - [ -0.0001912000000000, -0.0006726900000000, -0.0000304900000000 ] - [ -0.0003688800000000, -0.0000678800000000, -0.0000971300000000 ] - [ -0.0000547300000000, -0.0000705500000000, -0.0003776200000000 ] - [ -0.0004579500000000, 0.0001181700000000, 0.0001307300000000 ] - [ -0.0001018300000000, 0.0005567000000000, 0.0002091700000000 ] - [ 0.0001806000000000, -0.0000305700000000, -0.0000792200000000 ] - [ -0.0003925100000000, 0.0000293200000000, 0.0003302500000000 ] - [ -0.0006417600000000, -0.0002839200000000, -0.0001201500000000 ] - [ -0.0004031700000000, -0.0002076000000000, 0.0001147400000000 ] - [ -0.0008150300000000, -0.0001417100000000, 0.0002977900000000 ] - [ -0.0008845700000000, -0.0001244700000000, 0.0006723300000000 ] - [ 0.0001380800000000, -0.0001484700000000, -0.0002888300000000 ] - [ 0.0034208400000000, -0.0002850900000000, -0.0011414400000000 ] - [ -0.0130320800000000, 0.0029276300000000, 0.0013128100000000 ] - [ -0.0001785500000000, -0.0001468000000000, 0.0000179600000000 ] - [ 0.0001086800000000, 0.0000167500000000, 0.0001965200000000 ] - [ 0.0000471600000000, -0.0001450600000000, -0.0001250900000000 ] - [ 0.0004689500000000, -0.0002039000000000, 0.0000244200000000 ] - [ -0.0000697300000000, -0.0001658300000000, -0.0002851300000000 ] - [ 0.0001408200000000, -0.0001498000000000, -0.0001903500000000 ] - [ 0.0003558300000000, 0.0021837400000000, 0.0028241100000000 ] - [ -0.0000730000000000, 0.0007226600000000, -0.0004576400000000 ] - [ 0.0019956600000000, 0.0012579900000000, -0.0001634200000000 ] - [ -0.0014417500000000, -0.0005891000000000, 0.0036398000000000 ] - [ -0.0021975700000000, 0.0009536000000000, 0.0013103900000000 ] - [ -0.0003479100000000, -0.0005909400000000, -0.0019558500000000 ] - [ 0.0006765700000000, 0.0005990600000000, -0.0012442800000000 ] - [ -0.0703291200000000, -0.0023554500000000, -0.0053108700000000 ] - [ 0.0000752800000000, -0.0002774100000000, 0.0000023200000000 ] - [ 0.0004800300000000, -0.0003190700000000, -0.0000667800000000 ] - [ -0.0002946600000000, 0.0002413400000000, 0.0000976200000000 ] - [ 0.0001419200000000, -0.0000669400000000, -0.0003819500000000 ] - [ -0.0001664400000000, -0.0000413600000000, -0.0001897800000000 ] - [ -0.0011995000000000, -0.0008018500000000, -0.0019418500000000 ] - [ 0.0001959900000000, -0.0004436600000000, -0.0000219000000000 ] - [ -0.0073385200000000, -0.0031037400000000, -0.0028705800000000 ]- atom: 130 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003331100000000, 0.0002110900000000, 0.0005487000000000 ] - [ 0.0001397100000000, 0.0001880400000000, 0.0002641200000000 ] - [ 0.0003434300000000, -0.0004835800000000, -0.0000911700000000 ] - [ 0.0001917700000000, -0.0007214700000000, -0.0002976400000000 ] - [ 0.0002489400000000, -0.0005450800000000, -0.0005069100000000 ] - [ -0.0001287800000000, -0.0006515400000000, 0.0001316100000000 ] - [ -0.0004378200000000, -0.0001247300000000, -0.0007072800000000 ] - [ 0.0003917700000000, -0.0004511800000000, 0.0002099600000000 ] - [ -0.0001419200000000, -0.0003216000000000, 0.0002937700000000 ] - [ 0.0000125500000000, -0.0007743000000000, -0.0003798500000000 ] - [ -0.0001132300000000, -0.0005589100000000, 0.0021009300000000 ] - [ 0.0004672200000000, 0.0000434600000000, -0.0004129600000000 ] - [ 0.0003822100000000, 0.0008313500000000, 0.0000357600000000 ] - [ -0.0002209600000000, -0.0008006200000000, -0.0019056200000000 ] - [ -0.0003802800000000, -0.0004324700000000, 0.0006337300000000 ] - [ -0.0001685100000000, 0.0012761600000000, 0.0000069400000000 ] - [ -0.0001034200000000, -0.0007998800000000, -0.0002727200000000 ] - [ -0.0004539600000000, -0.0006578100000000, -0.0000896800000000 ] - [ -0.0008180600000000, 0.0032734300000000, -0.0000916900000000 ] - [ 0.0001688300000000, -0.0001226500000000, 0.0003241800000000 ] - [ 0.0005664500000000, 0.0013350700000000, -0.0000920000000000 ] - [ 0.0000504800000000, -0.0004712300000000, 0.0003366300000000 ] - [ -0.0002380100000000, -0.0006814600000000, -0.0000776000000000 ] - [ 0.0000349600000000, -0.0001466900000000, -0.0001082700000000 ] - [ -0.0110017200000000, 0.0004186500000000, 0.0002626100000000 ] - [ 0.0154810500000000, -0.0051783000000000, 0.0006804700000000 ] - [ -0.0002183900000000, -0.0026245100000000, 0.0000469100000000 ] - [ -0.0004444000000000, -0.0034289900000000, -0.0002979500000000 ] - [ -0.0001160200000000, 0.0006227600000000, 0.0008079900000000 ] - [ -0.0003204800000000, -0.0035072500000000, -0.0004733600000000 ] - [ 0.0103232600000000, -0.0078908000000000, 0.0018509700000000 ] - [ -0.0023947600000000, 0.0010681000000000, 0.0009507000000000 ] - [ -0.0005623600000000, 0.0027526600000000, 0.0001654300000000 ] - [ -0.0002319000000000, 0.0005611000000000, -0.0016265000000000 ] - [ 0.0000660300000000, 0.0007143800000000, 0.0002902300000000 ] - [ 0.0002162100000000, 0.0009142300000000, -0.0007667600000000 ] - [ 0.0003091700000000, -0.0012626400000000, 0.0000014000000000 ] - [ -0.0026433600000000, 0.0136185600000000, -0.0013502000000000 ] - [ 0.0003976900000000, -0.0033018900000000, -0.0003889000000000 ] - [ 0.0005671800000000, 0.0041523100000000, -0.0005425800000000 ] - [ 0.0007375500000000, -0.0021647500000000, 0.0000463200000000 ] - [ 0.0002359700000000, -0.0004618400000000, 0.0002015400000000 ] - [ 0.0000432500000000, -0.0011211300000000, 0.0000326100000000 ] - [ 0.0000482600000000, 0.0023120900000000, -0.0002397500000000 ] - [ -0.0000398200000000, -0.0025013800000000, 0.0003664400000000 ] - [ 0.0001011700000000, -0.0008140000000000, -0.0004089900000000 ] - [ 0.0000014300000000, -0.0004038200000000, 0.0004264800000000 ] - [ -0.0000686200000000, -0.0011898500000000, 0.0004521600000000 ] - [ -0.0003507200000000, 0.0001964600000000, -0.0000763100000000 ] - [ 0.0765764300000000, 0.1069940900000000, 0.0040354000000000 ] - [ -0.0004841900000000, -0.0004314000000000, -0.0008935700000000 ] - [ 0.0005598700000000, -0.0005219000000000, -0.0002496200000000 ] - [ 0.0001495500000000, -0.0011715300000000, -0.0006528300000000 ] - [ 0.0002416500000000, 0.0035685200000000, -0.0013177400000000 ] - [ 0.0000077200000000, -0.0009035400000000, -0.0000295900000000 ] - [ -0.0011028900000000, -0.0001370700000000, -0.0015173300000000 ] - [ 0.0000600500000000, -0.0003311900000000, -0.0000818800000000 ] - [ 0.0001659200000000, 0.0008518600000000, -0.0004859200000000 ] - [ -0.0001352800000000, -0.0016002300000000, -0.0000950900000000 ] - [ 0.0008135000000000, -0.0034227700000000, 0.0000214300000000 ] - [ 0.0003724600000000, -0.0003476400000000, 0.0002529700000000 ] - [ 0.0033953300000000, 0.0015272200000000, 0.0039293300000000 ] - [ 0.0000627700000000, 0.0006246500000000, 0.0001458500000000 ] - [ -0.0002187700000000, -0.0010647000000000, -0.0000779400000000 ] - [ 0.0008258100000000, 0.0017233800000000, -0.0045139400000000 ] - [ 0.0004458600000000, -0.0011377300000000, -0.0007252100000000 ] - [ 0.0003048400000000, -0.0006513100000000, 0.0002639000000000 ] - [ -0.0001310000000000, -0.0003959300000000, 0.0005415800000000 ] - [ -0.0008242700000000, 0.0012386600000000, 0.0009965800000000 ] - [ 0.0022540900000000, 0.0027667800000000, 0.0045861900000000 ] - [ -0.0007636400000000, -0.0006624800000000, 0.0009830800000000 ] - [ -0.0004419400000000, -0.0042948700000000, 0.0004606600000000 ] - [ -0.0006971800000000, -0.0010179600000000, 0.0002786600000000 ] - [ 0.0011505400000000, -0.0016939200000000, -0.0029295300000000 ] - [ -0.0007455400000000, 0.0014311000000000, 0.0019359600000000 ] - [ -0.0002486300000000, 0.0001127800000000, -0.0008942100000000 ] - [ -0.0001021300000000, 0.0009956500000000, -0.0000652200000000 ] - [ 0.0027922500000000, 0.0005402800000000, -0.0003006200000000 ] - [ -0.0000026600000000, -0.0009739600000000, 0.0000860800000000 ] - [ -0.0014680900000000, -0.0013052000000000, -0.0000537000000000 ] - [ 0.0009827100000000, 0.0035156500000000, 0.0003059600000000 ] - [ -0.0002120200000000, 0.0006294100000000, 0.0009974000000000 ] - [ -0.0014150500000000, -0.0034496600000000, -0.0000907300000000 ] - [ 0.0010649200000000, 0.0031152900000000, -0.0007052300000000 ] - [ 0.0003988200000000, 0.0018358600000000, 0.0006643900000000 ] - [ 0.0002876500000000, -0.0005189100000000, -0.0009555700000000 ] - [ 0.0009733800000000, 0.0005284200000000, 0.0059774000000000 ] - [ 0.0005895100000000, -0.0012650300000000, 0.0004556600000000 ] - [ -0.0008160900000000, 0.0008065900000000, 0.0029689700000000 ] - [ 0.0003111100000000, 0.0000035400000000, -0.0000021700000000 ] - [ 0.0003570200000000, 0.0011061000000000, 0.0004531800000000 ] - [ -0.0012770300000000, 0.0013849700000000, 0.0003802500000000 ] - [ -0.0000744900000000, -0.0001769400000000, 0.0022063800000000 ] - [ 0.0002017300000000, 0.0005453000000000, 0.0006572300000000 ] - [ -0.0001078600000000, 0.0012006100000000, 0.0002160600000000 ] - [ 0.0000905300000000, 0.0010883000000000, -0.0001743600000000 ] - [ 0.0011145000000000, 0.0018437900000000, 0.0002916000000000 ] - [ 0.0004045100000000, -0.0039052600000000, 0.0003393900000000 ] - [ 0.0000188400000000, 0.0008252900000000, -0.0004904500000000 ] - [ -0.0006227000000000, 0.0014816600000000, -0.0000430400000000 ] - [ 0.0000146300000000, 0.0003402800000000, -0.0009745200000000 ] - [ -0.0005322800000000, 0.0010133600000000, -0.0006597600000000 ] - [ -0.0040684700000000, -0.0008798300000000, -0.0090796400000000 ] - [ 0.0417282700000000, 0.0454937000000000, 0.0008960900000000 ] - [ 0.0002028200000000, -0.0005480300000000, -0.0002489700000000 ] - [ -0.0005178100000000, 0.0008940800000000, -0.0001220100000000 ] - [ -0.0001490300000000, 0.0004895700000000, -0.0004000400000000 ] - [ 0.0001101800000000, 0.0006972200000000, -0.0001837300000000 ] - [ -0.0003175800000000, 0.0005911300000000, 0.0001247700000000 ] - [ -0.0003739700000000, 0.0008175400000000, 0.0002471600000000 ] - [ 0.0000074500000000, -0.0004828600000000, 0.0010169800000000 ] - [ 0.0005067900000000, -0.0011355300000000, 0.0000135000000000 ] - [ -0.0002957200000000, 0.0000327400000000, -0.0024051400000000 ] - [ 0.0000282500000000, -0.0006451300000000, 0.0004623800000000 ] - [ -0.0002862200000000, 0.0005553700000000, -0.0001718800000000 ] - [ -0.0024585700000000, -0.0021654200000000, -0.0010202600000000 ] - [ 0.0005671800000000, 0.0008664000000000, 0.0001327900000000 ] - [ 0.0000854400000000, -0.0005129500000000, 0.0001017700000000 ] - [ -0.0001015400000000, 0.0000509300000000, -0.0000106000000000 ] - [ -0.0003974200000000, 0.0027638800000000, 0.0000761200000000 ] - [ 0.0010022300000000, 0.0026003900000000, 0.0002506000000000 ] - [ -0.0000566800000000, -0.0011549600000000, 0.0003655300000000 ] - [ -0.0015874100000000, -0.0016468700000000, -0.0004674200000000 ] - [ -0.0038107900000000, 0.0055377100000000, -0.0004352400000000 ] - [ -0.0004000100000000, -0.0011705000000000, -0.0000612100000000 ] - [ -0.0000885200000000, 0.0004799400000000, -0.0005236900000000 ] - [ 0.0072719700000000, 0.0052389900000000, 0.0011761100000000 ] - [ 0.0014847200000000, -0.0015027300000000, 0.0022448900000000 ] - [ 0.0010803700000000, 0.0013557100000000, 0.0002720900000000 ] - [ -0.1252697100000000, -0.1499244900000000, -0.0049955300000000 ] - [ -0.0019050800000000, 0.0005622400000000, 0.0030304000000000 ] - [ -0.0014987600000000, -0.0019368400000000, 0.0012963300000000 ] - [ -0.0002271000000000, -0.0002297900000000, 0.0000151100000000 ] - [ 0.0000782300000000, 0.0014196800000000, -0.0001145300000000 ] - [ 0.0008907300000000, -0.0026228300000000, 0.0004329500000000 ] - [ -0.0032379800000000, 0.0045291500000000, -0.0007932400000000 ] - [ 0.0008021200000000, -0.0008587200000000, 0.0004278800000000 ] - [ 0.0003114300000000, 0.0003498300000000, 0.0002864000000000 ] - [ 0.0001006000000000, -0.0002483600000000, -0.0001744900000000 ] - [ -0.0002602300000000, 0.0004613400000000, 0.0000167800000000 ] - [ -0.0000934800000000, -0.0001284500000000, 0.0001598100000000 ] - [ -0.0001342500000000, 0.0007260800000000, -0.0003093400000000 ] - [ 0.0000115200000000, 0.0007756000000000, -0.0002110800000000 ] - [ -0.0004957800000000, 0.0009486400000000, 0.0004530200000000 ] - [ -0.0000979300000000, 0.0011542200000000, 0.0001945600000000 ] - [ 0.0007768400000000, 0.0008361200000000, -0.0004056700000000 ] - [ -0.0001366200000000, 0.0006675900000000, -0.0006111700000000 ] - [ -0.0004898700000000, -0.0012412200000000, -0.0000276500000000 ] - [ -0.0000796200000000, -0.0004569900000000, -0.0000202300000000 ] - [ 0.0004001700000000, -0.0006976300000000, -0.0002997300000000 ] - [ 0.0005946700000000, -0.0003896500000000, -0.0012302700000000 ] - [ 0.0003122500000000, 0.0006765900000000, -0.0001858800000000 ] - [ -0.0015539600000000, 0.0020750200000000, -0.0059674900000000 ] - [ -0.0028970900000000, -0.0041875800000000, -0.0005905200000000 ] - [ 0.0003106900000000, 0.0007284300000000, 0.0001801300000000 ] - [ 0.0000762000000000, 0.0016524800000000, 0.0002857800000000 ] - [ 0.0000597300000000, -0.0004591100000000, 0.0001100200000000 ] - [ 0.0004322000000000, 0.0007618500000000, 0.0008383500000000 ] - [ -0.0000676100000000, 0.0005479500000000, 0.0005225800000000 ] - [ 0.0002043100000000, 0.0005354700000000, -0.0001200300000000 ] - [ -0.0020132200000000, -0.0003053300000000, 0.0057944800000000 ] - [ -0.0001212100000000, -0.0006541600000000, 0.0003319500000000 ] - [ -0.0001719000000000, 0.0042684800000000, -0.0007011900000000 ] - [ 0.0017210900000000, -0.0006701300000000, -0.0033280300000000 ] - [ 0.0009644800000000, -0.0015282800000000, -0.0007062600000000 ] - [ 0.0002361000000000, -0.0000570000000000, 0.0008320300000000 ] - [ -0.0005494900000000, -0.0001420700000000, -0.0024399700000000 ] - [ -0.0028090400000000, -0.0188132200000000, -0.0006045100000000 ] - [ 0.0000778700000000, 0.0002578700000000, 0.0000846800000000 ] - [ 0.0004544000000000, 0.0003229600000000, -0.0001015000000000 ] - [ -0.0005309300000000, 0.0017190400000000, 0.0000293000000000 ] - [ -0.0000159000000000, 0.0007183100000000, -0.0002625100000000 ] - [ -0.0002260400000000, 0.0007472500000000, -0.0002460300000000 ] - [ -0.0002011000000000, -0.0004782900000000, 0.0004057700000000 ] - [ 0.0000390700000000, 0.0000548100000000, 0.0000074800000000 ] - [ 0.0022363600000000, -0.0002391300000000, 0.0007444400000000 ]- atom: 130 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001428800000000, -0.0004364100000000, -0.0003613500000000 ] - [ -0.0002690000000000, 0.0002578200000000, -0.0003181300000000 ] - [ 0.0002755300000000, 0.0004739600000000, -0.0000506100000000 ] - [ -0.0001000700000000, 0.0000526400000000, 0.0005761500000000 ] - [ -0.0003391900000000, -0.0001196400000000, 0.0002278400000000 ] - [ -0.0000614200000000, 0.0004344200000000, -0.0003170900000000 ] - [ 0.0002474400000000, 0.0003461400000000, 0.0005204600000000 ] - [ 0.0004793500000000, 0.0007895100000000, 0.0000098000000000 ] - [ 0.0002019300000000, 0.0002102400000000, -0.0004115900000000 ] - [ -0.0000724500000000, 0.0008833100000000, 0.0004926300000000 ] - [ 0.0002029200000000, 0.0012217000000000, -0.0018287900000000 ] - [ -0.0003381200000000, -0.0004928400000000, 0.0004678800000000 ] - [ 0.0004883800000000, -0.0011680500000000, 0.0001821000000000 ] - [ 0.0002806400000000, 0.0009067000000000, 0.0017936500000000 ] - [ 0.0003175800000000, 0.0003239300000000, -0.0005139200000000 ] - [ -0.0004520700000000, -0.0012845000000000, 0.0001408300000000 ] - [ -0.0000274800000000, 0.0003576300000000, 0.0002162700000000 ] - [ -0.0004172000000000, 0.0003187400000000, -0.0001318400000000 ] - [ -0.0000327100000000, -0.0029168700000000, -0.0001551400000000 ] - [ -0.0000382000000000, 0.0005636300000000, -0.0002702100000000 ] - [ 0.0000450900000000, -0.0013162300000000, -0.0000389400000000 ] - [ -0.0001425600000000, 0.0011362300000000, -0.0006101400000000 ] - [ -0.0003815100000000, 0.0006906100000000, 0.0002205300000000 ] - [ 0.0001552300000000, 0.0003627800000000, 0.0002960200000000 ] - [ 0.0115411500000000, -0.0008057300000000, 0.0006429600000000 ] - [ -0.0152961100000000, 0.0041498500000000, -0.0004380100000000 ] - [ -0.0001706700000000, 0.0015964000000000, 0.0006228100000000 ] - [ -0.0000697500000000, 0.0030950400000000, -0.0006060600000000 ] - [ 0.0000317600000000, -0.0001385800000000, -0.0010791300000000 ] - [ 0.0005039300000000, 0.0038286900000000, -0.0003848700000000 ] - [ -0.0106740400000000, 0.0085553600000000, -0.0010357600000000 ] - [ 0.0024984300000000, -0.0006783700000000, -0.0008742500000000 ] - [ 0.0001741500000000, -0.0017267000000000, 0.0005114400000000 ] - [ -0.0002785700000000, -0.0002295400000000, 0.0007211900000000 ] - [ -0.0001786500000000, -0.0010876300000000, -0.0003636000000000 ] - [ -0.0000344400000000, -0.0012343900000000, -0.0000894200000000 ] - [ 0.0000655400000000, 0.0014474500000000, -0.0001049800000000 ] - [ 0.0031105500000000, -0.0145601700000000, 0.0007193700000000 ] - [ -0.0004762400000000, 0.0028118800000000, 0.0001047700000000 ] - [ -0.0002304400000000, -0.0043022500000000, 0.0003854100000000 ] - [ -0.0008567200000000, 0.0025362400000000, -0.0001212200000000 ] - [ 0.0002734500000000, 0.0007823700000000, 0.0007048400000000 ] - [ 0.0000696800000000, 0.0007524200000000, 0.0000436200000000 ] - [ -0.0004260300000000, -0.0021227200000000, 0.0003378100000000 ] - [ -0.0003355200000000, 0.0023148600000000, -0.0002679400000000 ] - [ 0.0002886100000000, 0.0018378000000000, -0.0002554200000000 ] - [ 0.0000820700000000, 0.0008772400000000, -0.0001459000000000 ] - [ -0.0001137900000000, 0.0008718500000000, 0.0004052000000000 ] - [ 0.0000203300000000, -0.0006788300000000, 0.0000284400000000 ] - [ -0.0804730900000000, -0.1075476300000000, -0.0040670300000000 ] - [ 0.0009215900000000, 0.0005088900000000, 0.0001982600000000 ] - [ -0.0002666200000000, 0.0003780900000000, 0.0007889300000000 ] - [ 0.0002643100000000, 0.0018439700000000, 0.0004231300000000 ] - [ -0.0006342400000000, -0.0028623300000000, 0.0015293300000000 ] - [ 0.0003226500000000, 0.0004268400000000, 0.0000778700000000 ] - [ 0.0013923500000000, -0.0006348600000000, 0.0010505600000000 ] - [ -0.0000314300000000, 0.0009375200000000, -0.0001326400000000 ] - [ 0.0002478000000000, -0.0015224700000000, 0.0002565900000000 ] - [ 0.0000708100000000, 0.0019769300000000, -0.0000676800000000 ] - [ -0.0008349100000000, 0.0028310300000000, 0.0001916800000000 ] - [ -0.0006646900000000, 0.0004900500000000, -0.0008000700000000 ] - [ -0.0030736900000000, -0.0013643900000000, -0.0033678000000000 ] - [ -0.0000919700000000, -0.0000236100000000, 0.0000689200000000 ] - [ -0.0001949700000000, 0.0003898200000000, 0.0003066000000000 ] - [ -0.0011178400000000, -0.0018661600000000, 0.0039643700000000 ] - [ -0.0001890700000000, 0.0008760500000000, 0.0005883200000000 ] - [ -0.0005597200000000, 0.0009125900000000, -0.0001208300000000 ] - [ 0.0004206400000000, 0.0011656500000000, -0.0010023800000000 ] - [ 0.0005262200000000, -0.0004610100000000, -0.0005336200000000 ] - [ -0.0019938700000000, -0.0025061600000000, -0.0047042600000000 ] - [ 0.0003260000000000, 0.0005832700000000, -0.0002799200000000 ] - [ 0.0007552000000000, 0.0047664000000000, -0.0004100400000000 ] - [ 0.0004048500000000, 0.0002492700000000, 0.0001769600000000 ] - [ -0.0016133500000000, 0.0017837900000000, 0.0036126200000000 ] - [ 0.0011854900000000, -0.0015130300000000, -0.0026352000000000 ] - [ -0.0000008200000000, -0.0003502000000000, 0.0010338400000000 ] - [ 0.0000381000000000, -0.0013715000000000, -0.0000975400000000 ] - [ -0.0027320200000000, -0.0011252200000000, 0.0000834900000000 ] - [ 0.0000666600000000, 0.0005915200000000, 0.0000766300000000 ] - [ 0.0011412100000000, 0.0017816600000000, 0.0000049400000000 ] - [ -0.0004453300000000, -0.0027132200000000, -0.0002408600000000 ] - [ 0.0000782000000000, -0.0006453200000000, -0.0001380400000000 ] - [ 0.0008446800000000, 0.0032486100000000, 0.0005507100000000 ] - [ -0.0013495200000000, -0.0023565200000000, 0.0004585800000000 ] - [ -0.0003196500000000, -0.0019110100000000, -0.0000020300000000 ] - [ 0.0001800400000000, 0.0005929500000000, 0.0011454500000000 ] - [ -0.0004940100000000, -0.0006497700000000, -0.0062056500000000 ] - [ -0.0011310100000000, 0.0013483800000000, -0.0006561300000000 ] - [ 0.0004390300000000, -0.0008872600000000, -0.0025849600000000 ] - [ 0.0002122900000000, -0.0007911900000000, 0.0000623800000000 ] - [ -0.0001083100000000, -0.0009679900000000, -0.0001575000000000 ] - [ 0.0010133300000000, -0.0003170300000000, -0.0000290100000000 ] - [ -0.0004075800000000, 0.0006826500000000, -0.0013658800000000 ] - [ 0.0003737400000000, -0.0005717700000000, -0.0000698100000000 ] - [ -0.0000427500000000, -0.0023897000000000, 0.0001197400000000 ] - [ 0.0001352200000000, -0.0021897000000000, -0.0001926500000000 ] - [ -0.0008206300000000, -0.0010849800000000, -0.0000483300000000 ] - [ -0.0002554400000000, 0.0026949000000000, -0.0006725600000000 ] - [ -0.0004006600000000, -0.0007452700000000, 0.0008669200000000 ] - [ 0.0002154600000000, -0.0006030300000000, -0.0000079900000000 ] - [ 0.0001178400000000, -0.0003207800000000, 0.0001240200000000 ] - [ -0.0000458100000000, -0.0009819500000000, 0.0000663000000000 ] - [ 0.0046419400000000, 0.0009249000000000, 0.0096868500000000 ] - [ -0.0427684100000000, -0.0474308300000000, -0.0005507200000000 ] - [ 0.0000475900000000, -0.0005186300000000, -0.0001007500000000 ] - [ 0.0002515900000000, -0.0007794100000000, 0.0003287200000000 ] - [ -0.0003187400000000, -0.0004169500000000, 0.0002056300000000 ] - [ 0.0003722500000000, -0.0001938800000000, -0.0006534700000000 ] - [ 0.0005812200000000, -0.0007029400000000, -0.0003275600000000 ] - [ 0.0000447600000000, -0.0002685700000000, 0.0003405600000000 ] - [ -0.0003371600000000, -0.0000779500000000, -0.0004193900000000 ] - [ 0.0000466700000000, 0.0010419600000000, 0.0002000400000000 ] - [ 0.0006243700000000, 0.0005215600000000, 0.0018064600000000 ] - [ 0.0000508700000000, 0.0007251300000000, 0.0001983700000000 ] - [ -0.0001963700000000, -0.0010577800000000, 0.0010144300000000 ] - [ 0.0027005800000000, 0.0022497400000000, 0.0008168800000000 ] - [ -0.0000212500000000, -0.0007838900000000, 0.0000745200000000 ] - [ 0.0002316000000000, 0.0006154000000000, 0.0002316100000000 ] - [ -0.0001940600000000, -0.0008065600000000, -0.0002328300000000 ] - [ 0.0007132800000000, -0.0028699800000000, 0.0002571300000000 ] - [ -0.0015298200000000, -0.0018158800000000, -0.0003126900000000 ] - [ -0.0002331100000000, 0.0009312300000000, -0.0000320900000000 ] - [ 0.0012542600000000, 0.0015172800000000, 0.0001330800000000 ] - [ 0.0039642100000000, -0.0051449100000000, 0.0005486800000000 ] - [ -0.0000059300000000, 0.0002913800000000, 0.0000082700000000 ] - [ -0.0001594300000000, -0.0006143800000000, 0.0002317700000000 ] - [ -0.0072655600000000, -0.0052762000000000, -0.0018084900000000 ] - [ -0.0017296100000000, 0.0016555100000000, -0.0025309400000000 ] - [ -0.0001263000000000, -0.0012000700000000, -0.0001453400000000 ] - [ 0.1305406200000000, 0.1521776000000000, 0.0051013000000000 ] - [ 0.0014294600000000, -0.0006421300000000, -0.0031813000000000 ] - [ 0.0012349900000000, 0.0018243200000000, -0.0010912700000000 ] - [ 0.0000266300000000, -0.0000943100000000, -0.0001358600000000 ] - [ 0.0000724700000000, -0.0002288900000000, -0.0002199900000000 ] - [ -0.0018522500000000, 0.0027906300000000, -0.0005525400000000 ] - [ 0.0035271700000000, -0.0034906700000000, 0.0004534700000000 ] - [ 0.0001518400000000, 0.0007025900000000, -0.0003013500000000 ] - [ 0.0000726300000000, -0.0004248800000000, -0.0006711400000000 ] - [ 0.0001247100000000, 0.0013529500000000, -0.0001936500000000 ] - [ -0.0006905000000000, -0.0006118900000000, -0.0001428300000000 ] - [ -0.0001574700000000, -0.0009451600000000, 0.0001891100000000 ] - [ -0.0004094900000000, -0.0008056800000000, 0.0001046300000000 ] - [ -0.0000915500000000, -0.0006995800000000, -0.0004516300000000 ] - [ -0.0000728200000000, -0.0007493900000000, 0.0000075000000000 ] - [ -0.0001272500000000, -0.0000464000000000, 0.0001726500000000 ] - [ -0.0003165000000000, -0.0007488800000000, 0.0001592100000000 ] - [ -0.0000961300000000, -0.0008159900000000, 0.0010492500000000 ] - [ -0.0004475300000000, 0.0006736200000000, 0.0001537100000000 ] - [ -0.0004431700000000, -0.0003260800000000, -0.0000408900000000 ] - [ -0.0001491300000000, 0.0005582200000000, 0.0005926200000000 ] - [ -0.0003598800000000, 0.0002342400000000, 0.0007916800000000 ] - [ -0.0000787000000000, -0.0005281600000000, -0.0002463900000000 ] - [ 0.0020297900000000, -0.0025645800000000, 0.0050694500000000 ] - [ 0.0032345900000000, 0.0050836300000000, 0.0006449800000000 ] - [ -0.0007688300000000, -0.0008127700000000, 0.0000631900000000 ] - [ -0.0003666300000000, -0.0014286300000000, 0.0000481200000000 ] - [ 0.0002343700000000, -0.0002901000000000, 0.0001325000000000 ] - [ 0.0000370500000000, -0.0008320300000000, -0.0006484300000000 ] - [ 0.0003958500000000, -0.0010942100000000, -0.0011146900000000 ] - [ 0.0000875400000000, -0.0007552700000000, -0.0002135400000000 ] - [ 0.0021449700000000, 0.0003076400000000, -0.0066614100000000 ] - [ -0.0000292100000000, 0.0018425400000000, 0.0000031200000000 ] - [ -0.0000367500000000, -0.0039446700000000, 0.0005839700000000 ] - [ -0.0013398100000000, 0.0007571400000000, 0.0029509500000000 ] - [ -0.0014246600000000, 0.0016181200000000, 0.0009487900000000 ] - [ -0.0004705800000000, 0.0002124500000000, -0.0003918200000000 ] - [ 0.0004111300000000, 0.0001563600000000, 0.0032771700000000 ] - [ 0.0035591400000000, 0.0190531800000000, 0.0003201000000000 ] - [ 0.0001234100000000, -0.0005876700000000, 0.0000352500000000 ] - [ 0.0004813600000000, -0.0008868000000000, -0.0000266700000000 ] - [ -0.0004057500000000, -0.0011509100000000, 0.0000981700000000 ] - [ 0.0005817100000000, -0.0009140100000000, -0.0002008900000000 ] - [ -0.0000901700000000, -0.0006482700000000, -0.0000876500000000 ] - [ -0.0003784600000000, 0.0004426900000000, -0.0010045300000000 ] - [ 0.0003656800000000, -0.0009294800000000, 0.0000427200000000 ] - [ -0.0017019500000000, 0.0004205200000000, -0.0012182900000000 ]- atom: 130 displacement: [ -0.0035230240541542, 0.0000000000000000, 0.0093588621911988 ] forces: - [ 0.0001024200000000, -0.0000084700000000, 0.0004264700000000 ] - [ -0.0001764100000000, 0.0002942500000000, -0.0002535900000000 ] - [ 0.0002917000000000, 0.0000133700000000, -0.0001177800000000 ] - [ 0.0000404400000000, -0.0007415400000000, -0.0000550100000000 ] - [ 0.0001547000000000, -0.0005588200000000, -0.0003255200000000 ] - [ -0.0000346500000000, 0.0000079200000000, -0.0000464800000000 ] - [ -0.0004548500000000, -0.0003573300000000, -0.0005139700000000 ] - [ 0.0004496500000000, 0.0001695900000000, 0.0001355900000000 ] - [ 0.0000849300000000, 0.0000691100000000, -0.0001317300000000 ] - [ -0.0000738300000000, -0.0003625000000000, 0.0001579000000000 ] - [ 0.0002965600000000, 0.0010077900000000, 0.0000502800000000 ] - [ 0.0007174300000000, -0.0005036400000000, 0.0000989800000000 ] - [ -0.0001351300000000, -0.0003060400000000, -0.0005968300000000 ] - [ -0.0005977700000000, -0.0002454300000000, 0.0002731000000000 ] - [ 0.0001408500000000, 0.0004857100000000, -0.0004144400000000 ] - [ 0.0000762300000000, 0.0003793500000000, -0.0011333500000000 ] - [ -0.0000139800000000, -0.0003042000000000, 0.0000519800000000 ] - [ -0.0004367700000000, -0.0002051300000000, -0.0001361500000000 ] - [ -0.0012537600000000, -0.0000557900000000, 0.0028888900000000 ] - [ 0.0000296700000000, 0.0004270300000000, -0.0000037200000000 ] - [ 0.0013591600000000, -0.0000862700000000, -0.0004790200000000 ] - [ -0.0002093900000000, 0.0006687200000000, -0.0001113800000000 ] - [ -0.0003108500000000, -0.0000292300000000, 0.0000896500000000 ] - [ 0.0000998700000000, 0.0001291900000000, 0.0000508200000000 ] - [ 0.0027577200000000, 0.0018182200000000, 0.0005497000000000 ] - [ -0.0018128800000000, -0.0065513900000000, 0.0105191300000000 ] - [ -0.0001602500000000, -0.0004700000000000, 0.0004358900000000 ] - [ -0.0003734100000000, -0.0000096400000000, -0.0001022500000000 ] - [ -0.0001319500000000, 0.0002157200000000, -0.0017347400000000 ] - [ -0.0002569300000000, 0.0001476700000000, -0.0002739000000000 ] - [ -0.0055252300000000, -0.0003903900000000, 0.0100674100000000 ] - [ 0.0011721400000000, 0.0007247500000000, 0.0013572900000000 ] - [ -0.0010292500000000, 0.0006893500000000, -0.0009248400000000 ] - [ 0.0001017000000000, 0.0001935200000000, -0.0025034800000000 ] - [ -0.0001120300000000, -0.0000522600000000, -0.0010737500000000 ] - [ 0.0004086000000000, -0.0002176300000000, -0.0024443600000000 ] - [ 0.0001969700000000, 0.0000419100000000, -0.0001109500000000 ] - [ -0.0046339800000000, -0.0009359200000000, 0.0114865600000000 ] - [ -0.0000404300000000, -0.0003859800000000, 0.0001308400000000 ] - [ 0.0022277700000000, -0.0017241200000000, 0.0027996200000000 ] - [ 0.0004394400000000, -0.0000243900000000, 0.0001530300000000 ] - [ 0.0001364000000000, 0.0001724800000000, 0.0002496900000000 ] - [ -0.0000120800000000, -0.0003126000000000, -0.0002420400000000 ] - [ 0.0012157200000000, 0.0002574800000000, -0.0011586600000000 ] - [ -0.0002211600000000, -0.0002125800000000, 0.0002475900000000 ] - [ 0.0002491000000000, 0.0004726700000000, -0.0005000600000000 ] - [ 0.0001622500000000, 0.0002213900000000, -0.0001268600000000 ] - [ -0.0000356700000000, -0.0002157400000000, 0.0001303800000000 ] - [ -0.0004670500000000, -0.0000330000000000, -0.0001227200000000 ] - [ -0.0636323000000000, -0.0255698700000000, 0.0462897900000000 ] - [ 0.0001211900000000, -0.0000057600000000, -0.0003673800000000 ] - [ 0.0002365700000000, -0.0001443300000000, 0.0002592700000000 ] - [ 0.0002615000000000, 0.0003199200000000, -0.0001116000000000 ] - [ 0.0023874100000000, 0.0003548700000000, -0.0002705200000000 ] - [ 0.0002593600000000, -0.0003612100000000, -0.0000274200000000 ] - [ 0.0006617500000000, -0.0005696800000000, 0.0001891800000000 ] - [ -0.0000133600000000, 0.0002475500000000, -0.0001353100000000 ] - [ 0.0001259900000000, -0.0001651400000000, -0.0004626300000000 ] - [ -0.0000727900000000, 0.0001821900000000, -0.0000690300000000 ] - [ -0.0003650500000000, -0.0008674600000000, 0.0002730100000000 ] - [ -0.0002230900000000, 0.0001412000000000, -0.0002271100000000 ] - [ -0.0023342100000000, -0.0005187900000000, -0.0023187400000000 ] - [ 0.0003264100000000, 0.0003210200000000, -0.0000300800000000 ] - [ -0.0001845800000000, -0.0003586400000000, 0.0000798700000000 ] - [ -0.0001504300000000, 0.0002453500000000, -0.0040708300000000 ] - [ 0.0002033400000000, -0.0003142400000000, -0.0002111600000000 ] - [ -0.0001469700000000, 0.0001795200000000, 0.0000821800000000 ] - [ 0.0001290400000000, 0.0003876300000000, -0.0001993800000000 ] - [ 0.0007127800000000, 0.0002380200000000, -0.0001313400000000 ] - [ -0.0000605000000000, 0.0000969600000000, -0.0026905600000000 ] - [ -0.0001631100000000, 0.0000664200000000, 0.0002118700000000 ] - [ -0.0004808000000000, 0.0012077100000000, 0.0002070500000000 ] - [ -0.0002010900000000, -0.0005425100000000, 0.0004096200000000 ] - [ 0.0034920100000000, -0.0028525200000000, -0.0015991600000000 ] - [ 0.0002065100000000, 0.0000263100000000, -0.0007237000000000 ] - [ -0.0006150700000000, -0.0016893300000000, -0.0001642000000000 ] - [ 0.0000296800000000, -0.0000961400000000, -0.0003100500000000 ] - [ 0.0000139200000000, -0.0006791700000000, 0.0000560100000000 ] - [ 0.0000271000000000, -0.0002394700000000, 0.0000676100000000 ] - [ 0.0000856800000000, 0.0004394500000000, -0.0000139400000000 ] - [ 0.0008171800000000, 0.0003671900000000, -0.0006012100000000 ] - [ -0.0000958500000000, 0.0001016200000000, 0.0003382400000000 ] - [ 0.0006044000000000, -0.0002154600000000, 0.0014176200000000 ] - [ -0.0001016500000000, -0.0000237100000000, -0.0000755100000000 ] - [ -0.0001410200000000, -0.0002537800000000, 0.0002972800000000 ] - [ 0.0000584400000000, -0.0001404100000000, 0.0008576800000000 ] - [ 0.0009430200000000, 0.0047351600000000, 0.0058617200000000 ] - [ -0.0009985400000000, 0.0000922300000000, -0.0003144300000000 ] - [ -0.0013870400000000, 0.0009827700000000, 0.0026402500000000 ] - [ 0.0001280400000000, -0.0003416500000000, 0.0002498100000000 ] - [ 0.0001616000000000, 0.0001346500000000, -0.0000430900000000 ] - [ -0.0003620600000000, 0.0006712900000000, 0.0000546600000000 ] - [ 0.0003325700000000, 0.0005349100000000, 0.0021543500000000 ] - [ 0.0002195000000000, 0.0000614600000000, 0.0004372900000000 ] - [ -0.0001003600000000, -0.0005360000000000, 0.0001098000000000 ] - [ 0.0001887600000000, -0.0005464400000000, -0.0002861100000000 ] - [ -0.0003349200000000, 0.0000900300000000, -0.0000512800000000 ] - [ -0.0014370500000000, -0.0007933300000000, -0.0007218600000000 ] - [ -0.0002247100000000, -0.0001592100000000, 0.0001751100000000 ] - [ -0.0002436700000000, 0.0004591900000000, -0.0000848200000000 ] - [ 0.0000416500000000, -0.0000802700000000, -0.0003488200000000 ] - [ -0.0002278300000000, -0.0000163600000000, -0.0003679500000000 ] - [ 0.0040294900000000, -0.0042023600000000, 0.0027003300000000 ] - [ 0.0009934100000000, -0.0104609700000000, -0.0161904200000000 ] - [ -0.0000914500000000, -0.0005844800000000, -0.0000353200000000 ] - [ -0.0000412800000000, 0.0000215700000000, 0.0000096400000000 ] - [ -0.0002668500000000, -0.0000663700000000, 0.0000752700000000 ] - [ 0.0001656700000000, 0.0003905600000000, -0.0003318100000000 ] - [ 0.0000458800000000, 0.0000138300000000, -0.0000511000000000 ] - [ -0.0001011500000000, 0.0001967900000000, 0.0004065200000000 ] - [ -0.0001850800000000, 0.0003477800000000, -0.0002496500000000 ] - [ -0.0003798700000000, 0.0005855600000000, -0.0002377100000000 ] - [ -0.0000686200000000, -0.0005079700000000, 0.0013231600000000 ] - [ 0.0002498700000000, -0.0002092500000000, 0.0007741300000000 ] - [ -0.0001786900000000, -0.0003746000000000, 0.0003513600000000 ] - [ 0.0022827500000000, 0.0004902300000000, -0.0007147500000000 ] - [ 0.0003191100000000, 0.0001402200000000, 0.0000582800000000 ] - [ -0.0001792500000000, 0.0000916900000000, 0.0006585000000000 ] - [ -0.0001480300000000, -0.0002275400000000, 0.0001287800000000 ] - [ 0.0002025500000000, 0.0002932500000000, 0.0001034600000000 ] - [ -0.0003484200000000, -0.0000775800000000, -0.0000983000000000 ] - [ -0.0003096500000000, -0.0002877600000000, 0.0007745900000000 ] - [ -0.0005352900000000, 0.0004655500000000, -0.0006211400000000 ] - [ 0.0000923700000000, 0.0005097400000000, -0.0001485200000000 ] - [ -0.0000539700000000, -0.0003412100000000, 0.0004971100000000 ] - [ -0.0001277500000000, -0.0000693100000000, -0.0001209200000000 ] - [ -0.0007388000000000, -0.0011823700000000, -0.0037140700000000 ] - [ -0.0005684000000000, -0.0001373000000000, -0.0016092600000000 ] - [ 0.0004489200000000, 0.0000445900000000, -0.0000083700000000 ] - [ 0.0866487000000000, 0.0404958700000000, -0.0475523600000000 ] - [ -0.0014082700000000, 0.0016831900000000, -0.0009405300000000 ] - [ -0.0012084500000000, -0.0000085700000000, 0.0018244900000000 ] - [ -0.0003721700000000, -0.0000810300000000, 0.0002075300000000 ] - [ 0.0000731900000000, 0.0006335600000000, -0.0001298100000000 ] - [ -0.0027286000000000, 0.0004984300000000, -0.0000859200000000 ] - [ -0.0006421500000000, 0.0016976800000000, -0.0006344600000000 ] - [ 0.0004331800000000, -0.0001559500000000, 0.0006625300000000 ] - [ 0.0002813100000000, 0.0000281500000000, -0.0001132600000000 ] - [ -0.0000727200000000, 0.0004716200000000, 0.0001994600000000 ] - [ -0.0004488000000000, -0.0000704800000000, -0.0000106200000000 ] - [ -0.0000051300000000, -0.0004996700000000, 0.0004097100000000 ] - [ -0.0002699100000000, -0.0000589300000000, -0.0001494400000000 ] - [ -0.0000581000000000, 0.0001673600000000, -0.0002617800000000 ] - [ -0.0003627000000000, 0.0001908200000000, 0.0002422300000000 ] - [ -0.0001027400000000, 0.0006041200000000, 0.0002620100000000 ] - [ 0.0001553400000000, -0.0000056100000000, -0.0000470300000000 ] - [ -0.0001708200000000, -0.0000982900000000, 0.0000829500000000 ] - [ -0.0003621900000000, -0.0003777800000000, 0.0005958200000000 ] - [ -0.0000174100000000, -0.0004014300000000, 0.0002109300000000 ] - [ -0.0006202100000000, -0.0005206200000000, 0.0011002000000000 ] - [ -0.0005737400000000, -0.0004072900000000, -0.0002009100000000 ] - [ 0.0001817900000000, 0.0003302300000000, -0.0002073900000000 ] - [ 0.0032510600000000, -0.0036609800000000, 0.0012567200000000 ] - [ -0.0033790700000000, 0.0005062600000000, -0.0027133600000000 ] - [ -0.0001627500000000, -0.0000350400000000, 0.0001086900000000 ] - [ -0.0001003700000000, 0.0001379200000000, 0.0001128300000000 ] - [ 0.0003087200000000, -0.0005245500000000, 0.0002166800000000 ] - [ 0.0003755000000000, 0.0000416700000000, 0.0000624700000000 ] - [ 0.0000140700000000, -0.0000249900000000, -0.0002742100000000 ] - [ 0.0001599600000000, -0.0000977900000000, -0.0001154700000000 ] - [ -0.0014668700000000, 0.0037540100000000, 0.0024304700000000 ] - [ -0.0001392800000000, 0.0005758000000000, 0.0005781400000000 ] - [ 0.0006429300000000, 0.0008789100000000, -0.0004667300000000 ] - [ -0.0000263800000000, -0.0002432500000000, 0.0000692000000000 ] - [ -0.0002149400000000, -0.0001478300000000, 0.0002827900000000 ] - [ -0.0001311300000000, 0.0000126800000000, 0.0001807500000000 ] - [ 0.0002969000000000, 0.0000084400000000, 0.0023270800000000 ] - [ -0.0190865200000000, 0.0002273800000000, -0.0169301500000000 ] - [ 0.0001029200000000, -0.0001509100000000, 0.0002357400000000 ] - [ 0.0004823800000000, -0.0002688000000000, -0.0000068600000000 ] - [ -0.0004457900000000, 0.0003103900000000, 0.0000278500000000 ] - [ 0.0002762800000000, -0.0001101900000000, -0.0002153400000000 ] - [ -0.0001496900000000, 0.0001144500000000, -0.0001288000000000 ] - [ -0.0000719500000000, 0.0004672700000000, 0.0006565400000000 ] - [ 0.0001433700000000, -0.0004363300000000, 0.0001008400000000 ] - [ 0.0035847900000000, 0.0017769100000000, 0.0006067400000000 ]- atom: 130 displacement: [ 0.0035230240541542, 0.0000000000000000, -0.0093588621911988 ] forces: - [ 0.0000841000000000, -0.0002091900000000, -0.0002366100000000 ] - [ 0.0000441600000000, 0.0001487000000000, 0.0001997200000000 ] - [ 0.0003265000000000, -0.0000237600000000, -0.0000263400000000 ] - [ 0.0000515100000000, 0.0000776300000000, 0.0003325400000000 ] - [ -0.0002458800000000, -0.0001089300000000, 0.0000490900000000 ] - [ -0.0001562300000000, -0.0002275200000000, -0.0001418700000000 ] - [ 0.0002627600000000, 0.0005728800000000, 0.0003256700000000 ] - [ 0.0004205600000000, 0.0001683500000000, 0.0000860500000000 ] - [ -0.0000253400000000, -0.0001795500000000, 0.0000170400000000 ] - [ 0.0000139000000000, 0.0004703100000000, -0.0000394400000000 ] - [ -0.0002011600000000, -0.0003405700000000, 0.0002373000000000 ] - [ -0.0005911900000000, 0.0000623600000000, -0.0000495300000000 ] - [ 0.0010115800000000, -0.0000309700000000, 0.0008219400000000 ] - [ 0.0006637300000000, 0.0003565300000000, -0.0003999100000000 ] - [ -0.0002007200000000, -0.0006008900000000, 0.0005337800000000 ] - [ -0.0006920000000000, -0.0003851600000000, 0.0012704200000000 ] - [ -0.0001181300000000, -0.0001404400000000, -0.0001046400000000 ] - [ -0.0004339000000000, -0.0001350300000000, -0.0000839400000000 ] - [ 0.0005993600000000, 0.0004887600000000, -0.0033571600000000 ] - [ 0.0001023800000000, 0.0000177300000000, 0.0000584100000000 ] - [ -0.0007438300000000, 0.0001008800000000, 0.0003442600000000 ] - [ 0.0001188800000000, -0.0000031200000000, -0.0001678200000000 ] - [ -0.0003071900000000, 0.0000381900000000, 0.0000530300000000 ] - [ 0.0000899600000000, 0.0000890600000000, 0.0001351800000000 ] - [ -0.0023101500000000, -0.0021725900000000, 0.0003489800000000 ] - [ 0.0019671400000000, 0.0060546800000000, -0.0102772000000000 ] - [ -0.0002303300000000, -0.0005600100000000, 0.0002282800000000 ] - [ -0.0001354500000000, -0.0003179900000000, -0.0008038600000000 ] - [ 0.0000479800000000, 0.0002599500000000, 0.0014584300000000 ] - [ 0.0004416400000000, 0.0001617600000000, -0.0005839600000000 ] - [ 0.0053505800000000, 0.0007596500000000, -0.0092315400000000 ] - [ -0.0010663900000000, -0.0003565100000000, -0.0012892300000000 ] - [ 0.0006328300000000, 0.0003419100000000, 0.0015957700000000 ] - [ -0.0006117900000000, 0.0001286200000000, 0.0016001000000000 ] - [ -0.0000020700000000, -0.0003146300000000, 0.0009950800000000 ] - [ -0.0002279900000000, -0.0000964800000000, 0.0016022800000000 ] - [ 0.0001775400000000, 0.0001418500000000, 0.0000105600000000 ] - [ 0.0051766600000000, -0.0000461300000000, -0.0120456400000000 ] - [ -0.0000455100000000, -0.0000898600000000, -0.0004099600000000 ] - [ -0.0018805900000000, 0.0015583700000000, -0.0029434500000000 ] - [ -0.0005553500000000, 0.0003902400000000, -0.0002294100000000 ] - [ 0.0003727000000000, 0.0001543900000000, 0.0006558400000000 ] - [ 0.0001242700000000, -0.0000618700000000, 0.0003178500000000 ] - [ -0.0016043400000000, -0.0000680500000000, 0.0012636000000000 ] - [ -0.0001526000000000, 0.0000229800000000, -0.0001434800000000 ] - [ 0.0001401100000000, 0.0005504800000000, -0.0001681400000000 ] - [ -0.0000780700000000, 0.0002585100000000, 0.0004101300000000 ] - [ -0.0001463900000000, -0.0001065800000000, 0.0007274700000000 ] - [ 0.0001363900000000, -0.0004433400000000, 0.0000753400000000 ] - [ 0.0637343200000000, 0.0258635300000000, -0.0468804500000000 ] - [ 0.0003162300000000, 0.0000848600000000, -0.0003350600000000 ] - [ 0.0000568500000000, 0.0000005200000000, 0.0002861300000000 ] - [ 0.0001514000000000, 0.0003512000000000, -0.0001182200000000 ] - [ -0.0028169000000000, 0.0003382600000000, 0.0004930500000000 ] - [ 0.0000707700000000, -0.0001209300000000, 0.0000752500000000 ] - [ -0.0003801400000000, -0.0001999800000000, -0.0006603200000000 ] - [ 0.0000417200000000, 0.0003539200000000, -0.0000790100000000 ] - [ 0.0002861500000000, -0.0005062200000000, 0.0002324300000000 ] - [ 0.0000090400000000, 0.0001962800000000, -0.0000935000000000 ] - [ 0.0003419100000000, 0.0002603500000000, -0.0000597000000000 ] - [ -0.0000678300000000, 0.0000014700000000, -0.0003128500000000 ] - [ 0.0026407400000000, 0.0006626700000000, 0.0028705800000000 ] - [ -0.0003566300000000, 0.0002871400000000, 0.0002453400000000 ] - [ -0.0002290100000000, -0.0003156900000000, 0.0001488300000000 ] - [ -0.0001396400000000, -0.0003854700000000, 0.0035488000000000 ] - [ 0.0000518500000000, 0.0000528600000000, 0.0000700100000000 ] - [ -0.0001089900000000, 0.0000801900000000, 0.0000547600000000 ] - [ 0.0001613300000000, 0.0003801000000000, -0.0002569100000000 ] - [ -0.0010160600000000, 0.0005311600000000, 0.0005898300000000 ] - [ 0.0003203100000000, 0.0001686200000000, 0.0025468300000000 ] - [ -0.0002743200000000, -0.0001455700000000, 0.0004869100000000 ] - [ 0.0008095900000000, -0.0007268900000000, -0.0001605100000000 ] - [ -0.0000906300000000, -0.0002288500000000, 0.0000512200000000 ] - [ -0.0038983900000000, 0.0029112000000000, 0.0022947200000000 ] - [ 0.0002294700000000, -0.0000975800000000, 0.0000436200000000 ] - [ 0.0003559100000000, 0.0014225700000000, 0.0003059700000000 ] - [ -0.0000920200000000, -0.0002838300000000, 0.0001491100000000 ] - [ 0.0000103300000000, 0.0000780700000000, -0.0002697500000000 ] - [ 0.0000368800000000, -0.0001411300000000, 0.0000950900000000 ] - [ -0.0004231800000000, 0.0000317600000000, -0.0000339900000000 ] - [ -0.0002985000000000, 0.0004167200000000, 0.0006597200000000 ] - [ -0.0000375900000000, -0.0001189500000000, 0.0005130600000000 ] - [ -0.0011684800000000, 0.0000156000000000, -0.0009531000000000 ] - [ -0.0001939900000000, 0.0007758000000000, -0.0001661800000000 ] - [ 0.0002230900000000, 0.0001858200000000, 0.0003670300000000 ] - [ 0.0004062800000000, 0.0002090100000000, -0.0006779800000000 ] - [ -0.0004711000000000, -0.0047574600000000, -0.0060382900000000 ] - [ 0.0004643200000000, -0.0000140200000000, 0.0001158700000000 ] - [ 0.0009960700000000, -0.0010563700000000, -0.0022537000000000 ] - [ 0.0003945200000000, -0.0004419700000000, -0.0001897700000000 ] - [ 0.0000857000000000, 0.0000036100000000, 0.0003334500000000 ] - [ 0.0001153500000000, 0.0003979100000000, 0.0002946900000000 ] - [ -0.0008199300000000, -0.0000352900000000, -0.0013244800000000 ] - [ 0.0003578800000000, -0.0000902700000000, 0.0001539000000000 ] - [ -0.0000498500000000, -0.0006512700000000, 0.0002250100000000 ] - [ 0.0000357400000000, -0.0005582300000000, -0.0000806700000000 ] - [ 0.0006381800000000, 0.0006762000000000, 0.0002974300000000 ] - [ 0.0015997700000000, -0.0004054000000000, 0.0003961500000000 ] - [ -0.0001579800000000, 0.0002383100000000, 0.0002070600000000 ] - [ -0.0001597800000000, 0.0004171900000000, 0.0000343600000000 ] - [ 0.0000911400000000, 0.0000984700000000, -0.0005080900000000 ] - [ -0.0003494600000000, 0.0000461300000000, -0.0002192400000000 ] - [ -0.0034216400000000, 0.0041837000000000, -0.0021022000000000 ] - [ -0.0010343400000000, 0.0095404600000000, 0.0164698300000000 ] - [ 0.0003433200000000, -0.0004889700000000, -0.0003147100000000 ] - [ -0.0002241600000000, 0.0000931100000000, 0.0001930800000000 ] - [ -0.0002006000000000, 0.0001391200000000, -0.0002662100000000 ] - [ 0.0003156400000000, 0.0001140100000000, -0.0005091300000000 ] - [ 0.0002173900000000, -0.0001256000000000, -0.0001538100000000 ] - [ -0.0002271600000000, 0.0003540700000000, 0.0001850200000000 ] - [ -0.0001414100000000, -0.0008952900000000, 0.0008370900000000 ] - [ 0.0009342900000000, -0.0006734200000000, 0.0004486700000000 ] - [ 0.0003931100000000, 0.0010519100000000, -0.0019096700000000 ] - [ -0.0001702700000000, 0.0002839700000000, -0.0001119400000000 ] - [ -0.0003040200000000, -0.0001262900000000, 0.0004857100000000 ] - [ -0.0020363000000000, -0.0003797500000000, 0.0005199200000000 ] - [ 0.0002270200000000, -0.0000557800000000, 0.0001462100000000 ] - [ 0.0004977500000000, 0.0000055200000000, -0.0003260400000000 ] - [ -0.0001463500000000, -0.0005225000000000, -0.0003721500000000 ] - [ 0.0001125600000000, -0.0003896900000000, 0.0002302600000000 ] - [ -0.0001696100000000, 0.0008781600000000, 0.0000409300000000 ] - [ 0.0000192500000000, 0.0000651600000000, -0.0004421600000000 ] - [ 0.0002256300000000, -0.0005757900000000, 0.0002906400000000 ] - [ 0.0001167300000000, -0.0001961600000000, 0.0002727500000000 ] - [ -0.0003486900000000, -0.0005350900000000, -0.0005487000000000 ] - [ -0.0001210700000000, -0.0000660700000000, -0.0001743200000000 ] - [ 0.0006442800000000, 0.0011020400000000, 0.0030556900000000 ] - [ 0.0003276900000000, 0.0002716200000000, 0.0013419300000000 ] - [ 0.0005036700000000, 0.0001096500000000, 0.0001352300000000 ] - [ -0.0864843700000000, -0.0401887700000000, 0.0485495500000000 ] - [ 0.0009272900000000, -0.0017472200000000, 0.0007345200000000 ] - [ 0.0009520100000000, -0.0001087600000000, -0.0016320700000000 ] - [ 0.0001726400000000, -0.0002494700000000, -0.0003302200000000 ] - [ 0.0000775400000000, 0.0005577400000000, -0.0002059500000000 ] - [ 0.0018020000000000, -0.0003569600000000, -0.0000359900000000 ] - [ 0.0008893300000000, -0.0006213500000000, 0.0002820500000000 ] - [ 0.0005206700000000, 0.0000023500000000, -0.0005351200000000 ] - [ 0.0001012000000000, -0.0001056900000000, -0.0002657200000000 ] - [ 0.0002968200000000, 0.0006363000000000, -0.0005670700000000 ] - [ -0.0005012100000000, -0.0000805200000000, -0.0001157500000000 ] - [ -0.0002463000000000, -0.0005695600000000, -0.0000592800000000 ] - [ -0.0002754300000000, -0.0000218800000000, -0.0000578600000000 ] - [ -0.0000208700000000, -0.0000870500000000, -0.0004005200000000 ] - [ -0.0002034500000000, 0.0000062400000000, 0.0002217900000000 ] - [ -0.0001228500000000, 0.0005015800000000, 0.0001043500000000 ] - [ 0.0003041400000000, 0.0000921800000000, -0.0001971900000000 ] - [ -0.0000614800000000, -0.0000497000000000, 0.0003483400000000 ] - [ -0.0005777700000000, -0.0001898600000000, -0.0004708600000000 ] - [ -0.0005053500000000, -0.0003876500000000, -0.0002734300000000 ] - [ 0.0008754300000000, 0.0003882900000000, -0.0008123600000000 ] - [ 0.0008131300000000, 0.0002643000000000, -0.0002290000000000 ] - [ 0.0000508000000000, -0.0001789900000000, -0.0002274700000000 ] - [ -0.0027883100000000, 0.0031846600000000, -0.0020971200000000 ] - [ 0.0037854500000000, 0.0003571300000000, 0.0027734900000000 ] - [ -0.0002964800000000, -0.0000497700000000, 0.0001375900000000 ] - [ -0.0001902700000000, 0.0000858800000000, 0.0002215600000000 ] - [ -0.0000150100000000, -0.0002312900000000, 0.0000271000000000 ] - [ 0.0000926600000000, -0.0001117500000000, 0.0001339100000000 ] - [ 0.0003148300000000, -0.0005231600000000, -0.0003118700000000 ] - [ 0.0001298100000000, -0.0001232500000000, -0.0002188000000000 ] - [ 0.0016175300000000, -0.0038182700000000, -0.0032991900000000 ] - [ -0.0000102400000000, 0.0006111300000000, -0.0002425800000000 ] - [ -0.0008515200000000, -0.0005434900000000, 0.0003448800000000 ] - [ 0.0004176400000000, 0.0003201500000000, -0.0004761600000000 ] - [ -0.0002363100000000, 0.0002275600000000, -0.0000464000000000 ] - [ -0.0001006700000000, 0.0001382600000000, 0.0002610500000000 ] - [ -0.0004327900000000, 0.0000096400000000, -0.0014776900000000 ] - [ 0.0194775400000000, 0.0000047300000000, 0.0164356600000000 ] - [ 0.0000987400000000, -0.0001748900000000, -0.0001155100000000 ] - [ 0.0004555900000000, -0.0002970300000000, -0.0001210800000000 ] - [ -0.0004922000000000, 0.0002579100000000, 0.0001002400000000 ] - [ 0.0002905600000000, -0.0000846100000000, -0.0002454900000000 ] - [ -0.0001671900000000, -0.0000107700000000, -0.0002050300000000 ] - [ -0.0005041500000000, -0.0004950800000000, -0.0012476700000000 ] - [ 0.0002603900000000, -0.0004388700000000, -0.0000497800000000 ] - [ -0.0029992700000000, -0.0015742300000000, -0.0010632100000000 ]- atom: 147 displacement: [ 0.0099999639143206, 0.0000000000000000, -0.0000268647033593 ] forces: - [ 0.0022715100000000, -0.0009185400000000, 0.0003819400000000 ] - [ -0.0000668600000000, 0.0001457700000000, 0.0000098700000000 ] - [ 0.0003590900000000, 0.0000900300000000, 0.0000450200000000 ] - [ -0.0000329600000000, -0.0003039200000000, -0.0001397800000000 ] - [ -0.0000403800000000, -0.0003807900000000, -0.0001589000000000 ] - [ -0.0000348400000000, -0.0001483800000000, -0.0001266100000000 ] - [ -0.0001035400000000, -0.0000596100000000, -0.0000685400000000 ] - [ -0.0002032600000000, 0.0034068200000000, 0.0005473300000000 ] - [ 0.0000187600000000, -0.0009314900000000, -0.0012051000000000 ] - [ -0.0002151500000000, -0.0000454200000000, 0.0000304200000000 ] - [ -0.0011000600000000, 0.0001742100000000, 0.0002885300000000 ] - [ 0.0005059100000000, -0.0001602000000000, -0.0000426400000000 ] - [ 0.0004339300000000, -0.0002337000000000, 0.0001045000000000 ] - [ -0.0001870500000000, 0.0000260600000000, -0.0000337800000000 ] - [ -0.0000271800000000, -0.0001077400000000, 0.0000503700000000 ] - [ -0.0005184800000000, -0.0000969700000000, 0.0000877200000000 ] - [ 0.0002124100000000, -0.0004186300000000, -0.0001531500000000 ] - [ -0.0009153100000000, -0.0001371000000000, -0.0000158600000000 ] - [ -0.0004234500000000, 0.0001587300000000, -0.0001382700000000 ] - [ -0.0020958700000000, 0.0011115500000000, 0.0023064700000000 ] - [ 0.0003276500000000, -0.0002498800000000, -0.0000142900000000 ] - [ -0.0000775500000000, 0.0003063200000000, -0.0001297700000000 ] - [ -0.0002816100000000, -0.0001474700000000, -0.0002878400000000 ] - [ 0.0001396100000000, 0.0002053700000000, 0.0003292000000000 ] - [ -0.0007566700000000, -0.0019767100000000, 0.0016182200000000 ] - [ -0.0010481800000000, 0.0014642600000000, -0.0002778400000000 ] - [ -0.0000877200000000, 0.0008440300000000, 0.0013138700000000 ] - [ -0.0004815500000000, -0.0005989800000000, -0.0010813300000000 ] - [ 0.0000759800000000, -0.0000871700000000, -0.0001350500000000 ] - [ -0.0029794400000000, 0.0004030300000000, 0.0001129300000000 ] - [ -0.0002415700000000, -0.0000422700000000, 0.0004083200000000 ] - [ 0.0002063500000000, -0.0000295500000000, -0.0000192700000000 ] - [ 0.0004110500000000, 0.0001126300000000, 0.0002323600000000 ] - [ -0.0003635900000000, -0.0000956100000000, -0.0004310700000000 ] - [ 0.0000592900000000, 0.0000294400000000, 0.0005376800000000 ] - [ -0.0000006300000000, -0.0006805400000000, -0.0013069600000000 ] - [ 0.0047987800000000, -0.0013011300000000, 0.0039109200000000 ] - [ 0.0002463100000000, -0.0003718800000000, -0.0003445300000000 ] - [ -0.0000716100000000, 0.0000751100000000, 0.0000455600000000 ] - [ 0.0002402700000000, -0.0004447300000000, 0.0000410700000000 ] - [ 0.0103438700000000, 0.0005331100000000, 0.0058090800000000 ] - [ 0.0017583900000000, 0.0002860200000000, -0.0014054500000000 ] - [ -0.0000776600000000, -0.0006571600000000, 0.0007575900000000 ] - [ -0.0002114100000000, -0.0000705200000000, 0.0000415300000000 ] - [ -0.0047371400000000, -0.0048400700000000, -0.0051316300000000 ] - [ 0.0000060100000000, 0.0006811300000000, -0.0001925700000000 ] - [ -0.0010304700000000, 0.0006400300000000, -0.0004599300000000 ] - [ 0.0001012800000000, 0.0000650500000000, 0.0004280800000000 ] - [ 0.0011493000000000, -0.0003186800000000, -0.0000733400000000 ] - [ -0.0002921200000000, 0.0000510700000000, 0.0000854300000000 ] - [ -0.0000889100000000, 0.0000213600000000, -0.0006729100000000 ] - [ 0.0002246400000000, -0.0000126900000000, -0.0001764900000000 ] - [ 0.0009183500000000, -0.0000108300000000, -0.0003931000000000 ] - [ 0.0004211200000000, 0.0001730000000000, 0.0000610900000000 ] - [ 0.0000427800000000, -0.0003166700000000, 0.0000398000000000 ] - [ 0.0003459000000000, -0.0004269200000000, 0.0000437400000000 ] - [ 0.0002353700000000, -0.0001009300000000, -0.0001337700000000 ] - [ 0.0002297000000000, -0.0004104600000000, -0.0000738600000000 ] - [ -0.0012645000000000, 0.0002939100000000, -0.0001253000000000 ] - [ -0.0032483300000000, 0.0010644500000000, -0.0007645200000000 ] - [ -0.0031728700000000, 0.0016809800000000, -0.0007936800000000 ] - [ 0.0000545900000000, 0.0000003600000000, 0.0003034300000000 ] - [ -0.0005708100000000, 0.0003209600000000, 0.0001182900000000 ] - [ -0.0005629800000000, 0.0002366800000000, 0.0010479700000000 ] - [ -0.0002056600000000, -0.0000233700000000, -0.0007767400000000 ] - [ 0.0003487300000000, -0.0003495400000000, -0.0003055400000000 ] - [ -0.0001232900000000, 0.0002560000000000, 0.0002908700000000 ] - [ 0.0701653900000000, 0.0398765300000000, -0.0449112500000000 ] - [ -0.0000858200000000, 0.0002982800000000, 0.0001828100000000 ] - [ 0.0002988000000000, 0.0007656500000000, -0.0000806500000000 ] - [ -0.0002190900000000, -0.0000013500000000, 0.0002065700000000 ] - [ 0.0001427100000000, 0.0000539700000000, 0.0000288500000000 ] - [ -0.0016700600000000, -0.0013695900000000, 0.0004202700000000 ] - [ -0.0002886800000000, 0.0000027500000000, 0.0002946800000000 ] - [ 0.0008213300000000, -0.0010845700000000, -0.0013086200000000 ] - [ -0.0001342400000000, -0.0002583100000000, 0.0001459900000000 ] - [ -0.0000365400000000, -0.0004314600000000, -0.0001100900000000 ] - [ 0.0000251600000000, -0.0004208200000000, -0.0001049200000000 ] - [ -0.0000017100000000, 0.0006837700000000, -0.0000796400000000 ] - [ -0.0021955400000000, -0.0000593200000000, 0.0015893000000000 ] - [ 0.0003036500000000, 0.0005752800000000, 0.0000756700000000 ] - [ -0.0001175800000000, -0.0004216400000000, 0.0006220300000000 ] - [ -0.0006142200000000, -0.0003679700000000, 0.0001289700000000 ] - [ -0.0001758500000000, 0.0006066500000000, -0.0000608000000000 ] - [ -0.0001483300000000, -0.0007406900000000, -0.0027245000000000 ] - [ 0.0004322100000000, 0.0008001400000000, 0.0007079300000000 ] - [ 0.0003156200000000, -0.0000255500000000, -0.0001377000000000 ] - [ -0.0004255300000000, 0.0001290700000000, -0.0001766300000000 ] - [ -0.0001478000000000, 0.0000530600000000, 0.0002091700000000 ] - [ 0.0003194300000000, -0.0003347600000000, 0.0000455300000000 ] - [ 0.0008146900000000, 0.0008053600000000, 0.0005406900000000 ] - [ -0.0002142600000000, 0.0005999100000000, 0.0001920300000000 ] - [ -0.0001709200000000, 0.0003355200000000, 0.0007840600000000 ] - [ 0.0003336900000000, -0.0000808500000000, 0.0004861200000000 ] - [ -0.0023326500000000, -0.0001753500000000, 0.0007675100000000 ] - [ 0.0005413000000000, -0.0006414300000000, -0.0001200200000000 ] - [ 0.0002405800000000, 0.0012043900000000, -0.0028920100000000 ] - [ -0.0000941000000000, -0.0004013100000000, -0.0001605700000000 ] - [ -0.0001909900000000, 0.0000608900000000, 0.0004333300000000 ] - [ -0.0010464100000000, 0.0005035300000000, 0.0000356500000000 ] - [ 0.0015714400000000, -0.0005520400000000, -0.0001594000000000 ] - [ -0.0002848800000000, -0.0002024500000000, -0.0004356400000000 ] - [ 0.0004886700000000, -0.0003887100000000, 0.0001511600000000 ] - [ 0.0006930400000000, -0.0004590800000000, 0.0000997300000000 ] - [ 0.0005331300000000, -0.0007230500000000, -0.0004001100000000 ] - [ 0.0032793500000000, -0.0010674000000000, -0.0001004600000000 ] - [ -0.0002343800000000, 0.0000020800000000, -0.0000417800000000 ] - [ 0.0002809200000000, 0.0002837700000000, -0.0003188200000000 ] - [ -0.0007911900000000, -0.0001416600000000, 0.0003641700000000 ] - [ -0.0001454600000000, 0.0002273100000000, 0.0000320600000000 ] - [ -0.0002084000000000, -0.0001201000000000, 0.0002612400000000 ] - [ 0.0002303100000000, 0.0000654800000000, 0.0000790500000000 ] - [ 0.0005056200000000, -0.0004550100000000, -0.0006242100000000 ] - [ -0.0003589500000000, 0.0002289600000000, 0.0003146700000000 ] - [ 0.0033295900000000, -0.0011358500000000, 0.0004353500000000 ] - [ 0.0002085800000000, 0.0001600500000000, -0.0001341100000000 ] - [ 0.0008581300000000, 0.0030861900000000, 0.0002145000000000 ] - [ 0.0003810600000000, 0.0001149600000000, 0.0001641900000000 ] - [ 0.0000065700000000, -0.0002303400000000, -0.0002001400000000 ] - [ 0.0023906500000000, -0.0000750400000000, 0.0026587300000000 ] - [ 0.0010400600000000, 0.0004849700000000, -0.0002685700000000 ] - [ -0.0000951300000000, 0.0000905000000000, 0.0002324600000000 ] - [ -0.0001741000000000, 0.0000697600000000, -0.0001622600000000 ] - [ 0.0001364400000000, 0.0002057700000000, 0.0000589300000000 ] - [ -0.0002276300000000, -0.0003155600000000, -0.0000153000000000 ] - [ -0.0130390900000000, -0.0082801100000000, 0.0166539500000000 ] - [ -0.0000761600000000, 0.0000705400000000, -0.0003265600000000 ] - [ -0.0001277400000000, 0.0003689100000000, -0.0005497000000000 ] - [ -0.0000000100000000, 0.0001827100000000, 0.0005316200000000 ] - [ 0.0007590900000000, 0.0002770400000000, -0.0000203800000000 ] - [ -0.0001613800000000, 0.0000490300000000, -0.0000741200000000 ] - [ -0.0001354400000000, -0.0000234700000000, 0.0002801300000000 ] - [ 0.0003122000000000, -0.0001062500000000, 0.0002502100000000 ] - [ 0.0003577700000000, 0.0006667900000000, -0.0011010200000000 ] - [ -0.0010305200000000, 0.0005261300000000, -0.0001398700000000 ] - [ 0.0019837100000000, -0.0016027400000000, 0.0031319100000000 ] - [ 0.0004595200000000, 0.0000285000000000, 0.0000357000000000 ] - [ 0.0001153000000000, -0.0002025000000000, 0.0003217200000000 ] - [ 0.0001051200000000, 0.0007479700000000, -0.0001853000000000 ] - [ -0.0014899900000000, -0.0007337800000000, -0.0007507500000000 ] - [ -0.0002261300000000, -0.0002353400000000, 0.0001171500000000 ] - [ 0.0101911600000000, 0.0342212500000000, -0.0194808100000000 ] - [ 0.0001318700000000, 0.0000809200000000, -0.0004528700000000 ] - [ -0.0006347800000000, 0.0000616200000000, 0.0000910000000000 ] - [ 0.0000739500000000, -0.0001158700000000, 0.0007070300000000 ] - [ 0.0001936300000000, 0.0000204300000000, -0.0000335600000000 ] - [ -0.0779688800000000, -0.0645524200000000, 0.0413269300000000 ] - [ -0.0005044200000000, -0.0000970700000000, 0.0001283600000000 ] - [ -0.0010782800000000, 0.0000985900000000, 0.0007405600000000 ] - [ 0.0001009700000000, 0.0000208600000000, 0.0001447700000000 ] - [ 0.0000819900000000, 0.0000177000000000, -0.0001597500000000 ] - [ 0.0006251100000000, 0.0006856300000000, -0.0009123500000000 ] - [ 0.0002943700000000, -0.0002019100000000, -0.0003986000000000 ] - [ -0.0002461300000000, 0.0001821600000000, 0.0000523800000000 ] - [ 0.0000499800000000, -0.0001701200000000, -0.0000517400000000 ] - [ 0.0011412800000000, 0.0003989200000000, 0.0007084100000000 ] - [ -0.0007073000000000, -0.0006058000000000, -0.0002895200000000 ] - [ 0.0007389000000000, -0.0000745100000000, 0.0004274000000000 ] - [ 0.0004930000000000, -0.0001409100000000, 0.0000372500000000 ] - [ -0.0002500100000000, -0.0009175100000000, -0.0001932600000000 ] - [ 0.0001203000000000, -0.0002509100000000, 0.0002130800000000 ] - [ -0.0000801700000000, 0.0006540500000000, 0.0001126800000000 ] - [ 0.0017995900000000, -0.0003504100000000, -0.0002272500000000 ] - [ 0.0006056000000000, 0.0016951700000000, -0.0002167100000000 ] - [ -0.0010737300000000, 0.0006753800000000, 0.0004436400000000 ] - [ -0.0001463000000000, 0.0000644200000000, -0.0000239400000000 ] - [ -0.0000576500000000, 0.0000835900000000, 0.0003759400000000 ] - [ 0.0003673900000000, 0.0003125500000000, -0.0002459900000000 ] - [ -0.0000727600000000, 0.0000009800000000, 0.0000720400000000 ] - [ 0.0007041700000000, -0.0006445600000000, 0.0000034800000000 ] - [ 0.0005211700000000, -0.0001897800000000, -0.0003000100000000 ] - [ 0.0002420800000000, -0.0001908600000000, -0.0004975500000000 ] - [ -0.0003701200000000, 0.0008102800000000, -0.0005096400000000 ] - [ -0.0003237900000000, 0.0001329100000000, -0.0003018800000000 ] - [ 0.0006674000000000, -0.0006800600000000, -0.0002498500000000 ] - [ 0.0001602400000000, 0.0001872700000000, -0.0002894000000000 ]- atom: 147 displacement: [ -0.0099999639143206, 0.0000000000000000, 0.0000268647033593 ] forces: - [ -0.0020728900000000, 0.0006943400000000, -0.0001979200000000 ] - [ -0.0000596500000000, 0.0002909500000000, -0.0000658100000000 ] - [ 0.0002554000000000, -0.0001010300000000, -0.0001881200000000 ] - [ 0.0001244100000000, -0.0003582800000000, 0.0004207800000000 ] - [ -0.0000517100000000, -0.0002851200000000, -0.0001212900000000 ] - [ -0.0001546900000000, -0.0000664700000000, -0.0000575400000000 ] - [ -0.0000863800000000, 0.0002710700000000, -0.0001161700000000 ] - [ 0.0011040300000000, -0.0030816700000000, -0.0003394300000000 ] - [ 0.0001727700000000, 0.0008665300000000, 0.0011672100000000 ] - [ 0.0001559700000000, 0.0001484600000000, 0.0000825400000000 ] - [ 0.0011873200000000, 0.0004875900000000, -0.0000088000000000 ] - [ -0.0003776100000000, -0.0002765000000000, 0.0001025300000000 ] - [ 0.0004325500000000, -0.0001025000000000, 0.0001128300000000 ] - [ 0.0002450600000000, 0.0000787800000000, -0.0000769700000000 ] - [ -0.0000312700000000, 0.0000022200000000, 0.0000638600000000 ] - [ -0.0000972600000000, 0.0000855500000000, 0.0000577000000000 ] - [ -0.0003379100000000, -0.0000220000000000, 0.0000955700000000 ] - [ 0.0000478500000000, -0.0001977800000000, -0.0002027100000000 ] - [ -0.0004427800000000, 0.0001764400000000, -0.0000779600000000 ] - [ 0.0022249600000000, -0.0006658400000000, -0.0022628200000000 ] - [ 0.0002879800000000, 0.0002571400000000, -0.0001319100000000 ] - [ -0.0000146500000000, 0.0003571800000000, -0.0001487400000000 ] - [ -0.0003356800000000, 0.0001590500000000, 0.0004367100000000 ] - [ 0.0000500400000000, 0.0000109400000000, -0.0001426100000000 ] - [ 0.0012757800000000, 0.0016436200000000, -0.0006882500000000 ] - [ 0.0011182700000000, -0.0019420300000000, 0.0005711600000000 ] - [ -0.0002790500000000, -0.0018615300000000, -0.0006397800000000 ] - [ -0.0000472400000000, 0.0002757200000000, 0.0001607800000000 ] - [ -0.0001451500000000, 0.0005558900000000, -0.0001530800000000 ] - [ 0.0031594900000000, -0.0000793700000000, -0.0009736600000000 ] - [ 0.0000551600000000, 0.0003518900000000, 0.0004638800000000 ] - [ -0.0000890600000000, 0.0004013000000000, 0.0001067500000000 ] - [ -0.0007812200000000, 0.0009094400000000, 0.0004270700000000 ] - [ -0.0001612300000000, 0.0004115700000000, -0.0004887000000000 ] - [ -0.0001790800000000, -0.0004010400000000, -0.0006281500000000 ] - [ 0.0001891600000000, 0.0003668400000000, 0.0004292600000000 ] - [ -0.0044187600000000, 0.0014243600000000, -0.0039876600000000 ] - [ 0.0001255200000000, -0.0006584600000000, -0.0003194300000000 ] - [ 0.0000038500000000, -0.0005477900000000, -0.0003319200000000 ] - [ 0.0001574800000000, 0.0002572800000000, -0.0001247000000000 ] - [ -0.0103924200000000, -0.0000894400000000, -0.0057697200000000 ] - [ -0.0012371600000000, 0.0000657000000000, 0.0023926500000000 ] - [ 0.0001922000000000, 0.0002758200000000, -0.0006670500000000 ] - [ -0.0001870300000000, 0.0002531300000000, 0.0000457900000000 ] - [ 0.0043110900000000, 0.0046590700000000, 0.0051964200000000 ] - [ 0.0003670800000000, 0.0003412100000000, -0.0004681500000000 ] - [ 0.0011026400000000, -0.0001561000000000, 0.0007341200000000 ] - [ -0.0002837200000000, -0.0003876300000000, 0.0004432200000000 ] - [ -0.0014628900000000, -0.0001490300000000, 0.0000188500000000 ] - [ 0.0003630700000000, 0.0003405400000000, 0.0000837900000000 ] - [ 0.0005403500000000, 0.0000453900000000, -0.0000081300000000 ] - [ 0.0000757500000000, -0.0001239000000000, 0.0007106200000000 ] - [ -0.0004878900000000, 0.0006557700000000, 0.0001496400000000 ] - [ -0.0008395900000000, 0.0004842900000000, 0.0001799300000000 ] - [ 0.0002733800000000, -0.0001619600000000, 0.0000138900000000 ] - [ -0.0000439900000000, -0.0003522000000000, -0.0004944900000000 ] - [ -0.0002017700000000, 0.0007057900000000, -0.0000827300000000 ] - [ 0.0001911900000000, -0.0002521000000000, -0.0001653200000000 ] - [ 0.0011887700000000, 0.0001051400000000, -0.0000427700000000 ] - [ 0.0032214100000000, -0.0016866000000000, 0.0009903200000000 ] - [ 0.0028623100000000, -0.0015379800000000, 0.0002407300000000 ] - [ 0.0002381300000000, 0.0001318400000000, 0.0002414900000000 ] - [ 0.0005358500000000, 0.0002925300000000, 0.0000975600000000 ] - [ 0.0001290300000000, -0.0009020700000000, -0.0008079900000000 ] - [ -0.0000866600000000, -0.0001094000000000, 0.0002354500000000 ] - [ -0.0000887700000000, 0.0000766100000000, 0.0001587000000000 ] - [ -0.0001292600000000, 0.0000035600000000, -0.0001451300000000 ] - [ -0.0690059000000000, -0.0391480900000000, 0.0445144600000000 ] - [ -0.0002138200000000, 0.0004808500000000, 0.0002726600000000 ] - [ -0.0000457300000000, -0.0005090000000000, -0.0000641600000000 ] - [ -0.0002298900000000, -0.0000684800000000, 0.0004911100000000 ] - [ 0.0001731500000000, 0.0004193600000000, 0.0000253600000000 ] - [ 0.0013631800000000, 0.0005849100000000, 0.0000332800000000 ] - [ -0.0001599900000000, 0.0000640700000000, 0.0003967200000000 ] - [ -0.0003658400000000, 0.0010072300000000, 0.0006058100000000 ] - [ -0.0001201900000000, -0.0000041100000000, -0.0000048800000000 ] - [ -0.0000343700000000, 0.0000326600000000, -0.0000586900000000 ] - [ 0.0000081900000000, -0.0001933300000000, -0.0001111600000000 ] - [ 0.0000890400000000, -0.0010779800000000, 0.0002525800000000 ] - [ 0.0018712200000000, 0.0005386600000000, -0.0016273200000000 ] - [ 0.0001721600000000, 0.0002286900000000, -0.0000100700000000 ] - [ -0.0000160500000000, 0.0004011000000000, 0.0002176800000000 ] - [ 0.0000625000000000, 0.0001989800000000, 0.0003463200000000 ] - [ -0.0000962800000000, 0.0001723900000000, -0.0001818200000000 ] - [ 0.0002109300000000, 0.0006072500000000, 0.0033668000000000 ] - [ 0.0000534500000000, -0.0007231000000000, -0.0004863900000000 ] - [ 0.0001716100000000, -0.0000784100000000, -0.0001135700000000 ] - [ -0.0001363800000000, -0.0000417400000000, -0.0000319400000000 ] - [ -0.0002433400000000, -0.0001205800000000, 0.0002052900000000 ] - [ 0.0001550400000000, -0.0004644400000000, 0.0000197700000000 ] - [ -0.0005812800000000, -0.0006653900000000, -0.0002576700000000 ] - [ -0.0000629600000000, 0.0004873100000000, 0.0001561200000000 ] - [ -0.0003110900000000, 0.0001741000000000, 0.0000504700000000 ] - [ 0.0002359400000000, 0.0000559700000000, 0.0000936800000000 ] - [ 0.0021841600000000, -0.0009806300000000, -0.0004062700000000 ] - [ -0.0003206800000000, -0.0004854900000000, -0.0002474000000000 ] - [ 0.0000307000000000, -0.0004237700000000, 0.0031081500000000 ] - [ 0.0002456900000000, -0.0007724200000000, -0.0001791100000000 ] - [ -0.0001990200000000, 0.0000082900000000, -0.0000224200000000 ] - [ 0.0006508500000000, 0.0003656700000000, -0.0000939400000000 ] - [ -0.0014328500000000, 0.0005647900000000, -0.0006625300000000 ] - [ -0.0002870400000000, 0.0002297300000000, -0.0001403000000000 ] - [ 0.0000828900000000, 0.0004195100000000, 0.0004227200000000 ] - [ -0.0009102300000000, -0.0006632800000000, 0.0002669200000000 ] - [ -0.0002582800000000, -0.0003630700000000, 0.0000535400000000 ] - [ -0.0034986300000000, 0.0011468700000000, 0.0002978200000000 ] - [ -0.0002501300000000, 0.0000707000000000, -0.0001748800000000 ] - [ 0.0001976600000000, 0.0002284800000000, -0.0005147700000000 ] - [ 0.0010190200000000, 0.0000606200000000, -0.0005518700000000 ] - [ -0.0001869500000000, 0.0003171400000000, 0.0005528600000000 ] - [ -0.0001248300000000, -0.0004230300000000, 0.0003265700000000 ] - [ 0.0003354500000000, -0.0001536200000000, 0.0001275400000000 ] - [ -0.0001731400000000, 0.0009982600000000, 0.0000441500000000 ] - [ 0.0004279400000000, -0.0001114700000000, 0.0003514300000000 ] - [ -0.0037834100000000, 0.0006171400000000, 0.0004036200000000 ] - [ 0.0000291700000000, -0.0000688300000000, -0.0000611300000000 ] - [ -0.0002850600000000, -0.0029916400000000, -0.0000027600000000 ] - [ -0.0000547900000000, 0.0000216500000000, 0.0001691900000000 ] - [ -0.0002784500000000, -0.0005424600000000, -0.0000429400000000 ] - [ -0.0020865000000000, -0.0000770600000000, -0.0023509400000000 ] - [ -0.0015100300000000, 0.0003164700000000, 0.0001990000000000 ] - [ -0.0001803200000000, -0.0003288100000000, 0.0001000800000000 ] - [ -0.0001517500000000, -0.0002078100000000, -0.0001700100000000 ] - [ 0.0000814500000000, 0.0001270700000000, 0.0000583100000000 ] - [ -0.0001580300000000, -0.0005486600000000, -0.0000434300000000 ] - [ 0.0127087000000000, 0.0082848700000000, -0.0171569400000000 ] - [ 0.0000067400000000, -0.0001878200000000, -0.0003374000000000 ] - [ -0.0001036800000000, -0.0002293900000000, 0.0002623800000000 ] - [ 0.0009474500000000, -0.0000307100000000, -0.0004058100000000 ] - [ 0.0002074300000000, 0.0003127700000000, -0.0001117700000000 ] - [ -0.0003235500000000, -0.0001189000000000, -0.0001407800000000 ] - [ -0.0001004600000000, -0.0000657400000000, -0.0000869500000000 ] - [ -0.0005255300000000, -0.0002264900000000, -0.0003641700000000 ] - [ -0.0001994800000000, 0.0005155400000000, 0.0007598800000000 ] - [ 0.0000878100000000, -0.0003801600000000, 0.0000145200000000 ] - [ -0.0017020900000000, 0.0026924900000000, -0.0035015100000000 ] - [ 0.0004833800000000, -0.0001706300000000, 0.0000877800000000 ] - [ 0.0002792700000000, 0.0001377400000000, -0.0007585600000000 ] - [ 0.0001137300000000, 0.0003811600000000, -0.0001821800000000 ] - [ 0.0005672000000000, 0.0005987900000000, 0.0006182600000000 ] - [ -0.0000492200000000, -0.0008455600000000, 0.0002309100000000 ] - [ -0.0107422200000000, -0.0346800500000000, 0.0194693300000000 ] - [ -0.0001997700000000, 0.0000439800000000, -0.0002107000000000 ] - [ 0.0000763900000000, 0.0001146100000000, 0.0003814700000000 ] - [ -0.0003064700000000, 0.0012338100000000, -0.0003417800000000 ] - [ 0.0002941600000000, 0.0000854400000000, -0.0002196200000000 ] - [ 0.0766916200000000, 0.0646348400000000, -0.0411633800000000 ] - [ -0.0004601200000000, -0.0004883200000000, 0.0000047600000000 ] - [ 0.0005981100000000, -0.0009094300000000, -0.0008022500000000 ] - [ 0.0001277600000000, -0.0001574500000000, 0.0001354500000000 ] - [ 0.0001501000000000, -0.0001494400000000, -0.0002645700000000 ] - [ -0.0003905300000000, -0.0005489000000000, 0.0004874100000000 ] - [ 0.0001881900000000, -0.0003071900000000, -0.0004374000000000 ] - [ 0.0006331600000000, 0.0006861600000000, 0.0000062100000000 ] - [ -0.0005355000000000, 0.0000644000000000, 0.0002990000000000 ] - [ -0.0014134200000000, -0.0001639400000000, -0.0003756600000000 ] - [ 0.0009823800000000, -0.0001836200000000, 0.0005328600000000 ] - [ -0.0002521500000000, 0.0000036000000000, -0.0002215700000000 ] - [ -0.0001454900000000, -0.0004032000000000, -0.0005869000000000 ] - [ 0.0005154600000000, 0.0006887800000000, -0.0001509900000000 ] - [ 0.0000122400000000, 0.0002329200000000, -0.0010509500000000 ] - [ -0.0000706000000000, 0.0005242600000000, 0.0002254400000000 ] - [ -0.0020156600000000, 0.0006833900000000, 0.0001086400000000 ] - [ -0.0002118600000000, -0.0016175600000000, -0.0001969200000000 ] - [ 0.0005818000000000, -0.0005658100000000, -0.0001874300000000 ] - [ -0.0000870400000000, 0.0000699400000000, 0.0004484500000000 ] - [ -0.0000739700000000, -0.0000636400000000, 0.0004550100000000 ] - [ -0.0000922100000000, -0.0000698600000000, -0.0000865700000000 ] - [ 0.0002896100000000, -0.0003284300000000, 0.0000454800000000 ] - [ 0.0002521800000000, 0.0000592600000000, -0.0001347100000000 ] - [ -0.0014805700000000, 0.0007708700000000, 0.0004279600000000 ] - [ 0.0003094700000000, 0.0000195900000000, 0.0000222800000000 ] - [ 0.0000438200000000, -0.0006635600000000, 0.0001747900000000 ] - [ -0.0002480600000000, -0.0001583800000000, -0.0002717700000000 ] - [ -0.0002724900000000, -0.0001886600000000, 0.0003093800000000 ] - [ 0.0003948700000000, -0.0000103700000000, -0.0001822300000000 ]- atom: 147 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0010261300000000, 0.0048590200000000, 0.0001289900000000 ] - [ -0.0000975500000000, -0.0002266600000000, 0.0000777300000000 ] - [ 0.0003039000000000, -0.0000855600000000, 0.0003863200000000 ] - [ 0.0001492900000000, 0.0002294800000000, 0.0004165600000000 ] - [ -0.0000609100000000, -0.0009250200000000, -0.0001939000000000 ] - [ -0.0000581200000000, -0.0005434000000000, -0.0002191300000000 ] - [ -0.0001138800000000, -0.0005303100000000, -0.0001638700000000 ] - [ 0.0028859800000000, 0.0000351700000000, -0.0010665200000000 ] - [ -0.0010511900000000, 0.0028305800000000, -0.0013912400000000 ] - [ -0.0001161700000000, -0.0004881300000000, -0.0000286400000000 ] - [ -0.0001842900000000, 0.0008380200000000, -0.0000125200000000 ] - [ 0.0001435400000000, -0.0002156000000000, 0.0008880400000000 ] - [ 0.0004404400000000, -0.0003460000000000, 0.0001123300000000 ] - [ -0.0000451000000000, 0.0004581700000000, 0.0002602400000000 ] - [ -0.0000055100000000, -0.0004708500000000, 0.0001154900000000 ] - [ -0.0003373300000000, -0.0003397700000000, -0.0001553600000000 ] - [ 0.0000811000000000, -0.0011056400000000, -0.0002706000000000 ] - [ -0.0007762300000000, -0.0002294700000000, 0.0000141200000000 ] - [ -0.0003530500000000, -0.0002290900000000, 0.0000744000000000 ] - [ 0.0002217600000000, 0.0031177300000000, -0.0004414300000000 ] - [ 0.0001021200000000, -0.0008092200000000, 0.0000103600000000 ] - [ -0.0000525100000000, -0.0000174900000000, -0.0000843600000000 ] - [ -0.0004464000000000, 0.0004154800000000, -0.0001027000000000 ] - [ -0.0000598300000000, 0.0008287600000000, 0.0004208100000000 ] - [ -0.0021912800000000, -0.0012625200000000, 0.0026621100000000 ] - [ 0.0021495300000000, -0.0012808600000000, 0.0012570800000000 ] - [ 0.0000774300000000, 0.0008512400000000, 0.0001568000000000 ] - [ -0.0008807900000000, -0.0016562600000000, -0.0012240500000000 ] - [ 0.0000590900000000, -0.0013234100000000, -0.0002691300000000 ] - [ -0.0001352000000000, 0.0029547700000000, -0.0009292700000000 ] - [ -0.0001370800000000, -0.0013273500000000, 0.0005148000000000 ] - [ 0.0001126700000000, -0.0015418000000000, -0.0000357100000000 ] - [ 0.0004180200000000, -0.0015168600000000, -0.0012748300000000 ] - [ -0.0003467200000000, -0.0011460600000000, -0.0004889600000000 ] - [ 0.0002148900000000, 0.0004640700000000, -0.0008831800000000 ] - [ -0.0000986400000000, 0.0000152500000000, -0.0014776000000000 ] - [ 0.0018045400000000, -0.0076611500000000, 0.0045378000000000 ] - [ 0.0008759600000000, -0.0026479300000000, -0.0004039300000000 ] - [ 0.0003798500000000, -0.0014187900000000, -0.0008539600000000 ] - [ -0.0002345500000000, -0.0014974600000000, 0.0007023800000000 ] - [ 0.0007039600000000, 0.0130947900000000, 0.0088939900000000 ] - [ 0.0004104300000000, 0.0049313600000000, 0.0054169700000000 ] - [ -0.0003546100000000, -0.0017657700000000, 0.0010217900000000 ] - [ -0.0001831100000000, -0.0004885200000000, 0.0002904500000000 ] - [ -0.0068209300000000, -0.0024290300000000, -0.0065649600000000 ] - [ 0.0000670600000000, 0.0006607700000000, 0.0003083600000000 ] - [ 0.0001318800000000, 0.0021418900000000, 0.0001556300000000 ] - [ 0.0004484800000000, -0.0013781000000000, 0.0012492100000000 ] - [ 0.0002059000000000, 0.0006486500000000, -0.0010154000000000 ] - [ 0.0000260500000000, -0.0004777000000000, 0.0001537100000000 ] - [ 0.0004441400000000, 0.0000558600000000, 0.0006002800000000 ] - [ 0.0014486200000000, -0.0010374500000000, -0.0002677700000000 ] - [ 0.0013843800000000, -0.0027800200000000, -0.0010559600000000 ] - [ -0.0003276700000000, -0.0016911200000000, 0.0011046000000000 ] - [ 0.0001158500000000, -0.0009216300000000, 0.0000163100000000 ] - [ 0.0002882400000000, -0.0001765000000000, 0.0004702500000000 ] - [ 0.0001686900000000, -0.0012641800000000, -0.0001058000000000 ] - [ 0.0003717800000000, -0.0008140700000000, -0.0001027200000000 ] - [ -0.0002864800000000, -0.0000701100000000, -0.0000608500000000 ] - [ 0.0034077800000000, 0.0051220100000000, -0.0000003400000000 ] - [ -0.0016757600000000, 0.0012543600000000, 0.0000801500000000 ] - [ -0.0001733300000000, -0.0002435900000000, 0.0005706800000000 ] - [ -0.0001923500000000, 0.0010766600000000, 0.0000558000000000 ] - [ -0.0022551400000000, -0.0001423500000000, 0.0010908600000000 ] - [ -0.0001736700000000, -0.0001878100000000, 0.0004796800000000 ] - [ -0.0000095700000000, 0.0008062600000000, 0.0008330900000000 ] - [ -0.0000714100000000, -0.0000293400000000, 0.0001106600000000 ] - [ 0.0380870100000000, 0.1495576800000000, -0.1081692900000000 ] - [ 0.0001865800000000, -0.0000960700000000, 0.0001201300000000 ] - [ 0.0006272900000000, -0.0002384300000000, -0.0009171400000000 ] - [ -0.0001366400000000, -0.0000949500000000, 0.0005102400000000 ] - [ 0.0002760900000000, -0.0009959600000000, 0.0001025200000000 ] - [ -0.0021459400000000, -0.0020299500000000, 0.0005054300000000 ] - [ 0.0002780700000000, -0.0005147200000000, -0.0000230700000000 ] - [ -0.0010126200000000, -0.0005905700000000, -0.0024607100000000 ] - [ -0.0006831600000000, -0.0012968700000000, 0.0001284200000000 ] - [ -0.0001655200000000, -0.0010296500000000, -0.0001267300000000 ] - [ 0.0000387300000000, -0.0013938000000000, -0.0001163400000000 ] - [ 0.0014353400000000, 0.0004703600000000, 0.0004829400000000 ] - [ -0.0025174900000000, 0.0046844600000000, 0.0007494800000000 ] - [ 0.0003166200000000, 0.0012775300000000, 0.0000726300000000 ] - [ -0.0004273200000000, 0.0007187800000000, 0.0011738500000000 ] - [ -0.0006187000000000, 0.0005126300000000, 0.0006687100000000 ] - [ -0.0002040900000000, 0.0015529800000000, -0.0000717400000000 ] - [ 0.0000386900000000, -0.0033455600000000, 0.0005733000000000 ] - [ 0.0009550000000000, -0.0000510400000000, 0.0017002400000000 ] - [ -0.0003814900000000, 0.0007844600000000, 0.0001838600000000 ] - [ -0.0003205200000000, 0.0002541500000000, -0.0005018700000000 ] - [ -0.0002950300000000, 0.0005235700000000, 0.0005298500000000 ] - [ 0.0002131200000000, 0.0003051000000000, -0.0000551700000000 ] - [ 0.0010720400000000, 0.0010846900000000, 0.0007100700000000 ] - [ -0.0001265300000000, 0.0015317100000000, 0.0002912000000000 ] - [ -0.0003605900000000, 0.0000750300000000, 0.0002320000000000 ] - [ 0.0003004000000000, -0.0005210200000000, -0.0001250600000000 ] - [ 0.0008938900000000, 0.0030092400000000, 0.0063197300000000 ] - [ 0.0002323400000000, -0.0003749500000000, -0.0000552800000000 ] - [ 0.0030932600000000, -0.0010997600000000, -0.0046820400000000 ] - [ 0.0001863400000000, 0.0011630500000000, -0.0005595200000000 ] - [ -0.0001359000000000, 0.0003078300000000, 0.0002924000000000 ] - [ -0.0015283000000000, 0.0013981200000000, 0.0007782400000000 ] - [ 0.0006425800000000, -0.0009643100000000, -0.0005790700000000 ] - [ -0.0003995600000000, 0.0000622600000000, -0.0002323500000000 ] - [ -0.0002886500000000, 0.0006568100000000, 0.0006849200000000 ] - [ 0.0000109600000000, -0.0001113200000000, -0.0000593300000000 ] - [ 0.0000930300000000, -0.0015643000000000, -0.0002255200000000 ] - [ 0.0024020900000000, -0.0014247000000000, 0.0004449900000000 ] - [ -0.0002988500000000, 0.0003005600000000, -0.0003969100000000 ] - [ -0.0003403900000000, 0.0008371400000000, -0.0006459100000000 ] - [ -0.0015055200000000, 0.0015954400000000, 0.0000597000000000 ] - [ -0.0001301800000000, 0.0006099400000000, 0.0000604900000000 ] - [ -0.0000134100000000, 0.0006933300000000, 0.0000837800000000 ] - [ 0.0000187700000000, 0.0005051000000000, -0.0000980700000000 ] - [ -0.0003942700000000, 0.0001040500000000, 0.0007344100000000 ] - [ -0.0000475900000000, -0.0005972600000000, 0.0010092300000000 ] - [ 0.0004555500000000, -0.0019156100000000, 0.0008657300000000 ] - [ 0.0005383000000000, 0.0005993100000000, -0.0003372400000000 ] - [ 0.0016406200000000, 0.0031104800000000, 0.0007558000000000 ] - [ 0.0001388800000000, -0.0004455400000000, 0.0003263000000000 ] - [ 0.0000506200000000, 0.0004879400000000, -0.0001819800000000 ] - [ 0.0003144000000000, -0.0042797200000000, 0.0012944300000000 ] - [ 0.0012018700000000, -0.0010790500000000, -0.0001873700000000 ] - [ -0.0001501500000000, 0.0003925900000000, 0.0002654400000000 ] - [ -0.0000337100000000, 0.0010565600000000, -0.0001542000000000 ] - [ 0.0000344300000000, 0.0010638100000000, 0.0001018000000000 ] - [ -0.0002301200000000, 0.0001573800000000, 0.0002610800000000 ] - [ -0.0042813600000000, -0.0000971000000000, -0.0307187500000000 ] - [ -0.0001751900000000, 0.0012616900000000, -0.0005777000000000 ] - [ -0.0000676200000000, 0.0003629500000000, -0.0010425000000000 ] - [ 0.0013207300000000, 0.0020547900000000, 0.0007264300000000 ] - [ 0.0003568900000000, 0.0010076900000000, -0.0001340600000000 ] - [ -0.0002551900000000, 0.0005081500000000, -0.0000414000000000 ] - [ 0.0000172500000000, 0.0001529900000000, -0.0001826400000000 ] - [ 0.0001352800000000, -0.0010273600000000, 0.0000560700000000 ] - [ 0.0010664800000000, 0.0014558900000000, -0.0014694300000000 ] - [ -0.0000963100000000, 0.0015294100000000, -0.0013879500000000 ] - [ -0.0051036600000000, -0.0005968000000000, -0.0049245200000000 ] - [ 0.0002548000000000, 0.0004274500000000, 0.0000431700000000 ] - [ 0.0002733900000000, -0.0002641900000000, -0.0021098500000000 ] - [ 0.0001474200000000, 0.0012605500000000, -0.0001772800000000 ] - [ 0.0008477800000000, -0.0002609900000000, -0.0022916100000000 ] - [ -0.0001269400000000, 0.0006750800000000, 0.0000831500000000 ] - [ 0.0284587300000000, 0.0221014700000000, -0.0203952300000000 ] - [ 0.0001923100000000, 0.0005404700000000, -0.0005203200000000 ] - [ -0.0001563200000000, -0.0006666500000000, 0.0002087900000000 ] - [ -0.0012631500000000, -0.0003192400000000, -0.0002424000000000 ] - [ 0.0002135100000000, 0.0000527700000000, -0.0001961600000000 ] - [ -0.0629208300000000, -0.1926704800000000, 0.1524620500000000 ] - [ -0.0002401800000000, 0.0003385400000000, 0.0004253900000000 ] - [ -0.0005724600000000, -0.0017141700000000, 0.0011202600000000 ] - [ 0.0000238600000000, 0.0003762400000000, 0.0000679200000000 ] - [ 0.0000333000000000, 0.0004979600000000, -0.0001524300000000 ] - [ 0.0007324500000000, 0.0012445000000000, -0.0010183500000000 ] - [ 0.0003229600000000, 0.0001674300000000, -0.0004967100000000 ] - [ -0.0004153200000000, 0.0019672900000000, -0.0010143800000000 ] - [ -0.0002713900000000, -0.0003954000000000, -0.0002037800000000 ] - [ 0.0006632400000000, -0.0002152300000000, 0.0007961100000000 ] - [ 0.0003568600000000, -0.0022420600000000, 0.0008799900000000 ] - [ 0.0000444600000000, -0.0005684900000000, -0.0006416200000000 ] - [ 0.0003621400000000, -0.0005582600000000, -0.0006255400000000 ] - [ -0.0012633700000000, 0.0001600800000000, -0.0013783600000000 ] - [ -0.0000577500000000, 0.0001696900000000, -0.0014541300000000 ] - [ -0.0001413300000000, 0.0009351100000000, 0.0001577500000000 ] - [ -0.0017426400000000, -0.0016093900000000, 0.0002142700000000 ] - [ 0.0020531000000000, 0.0015475700000000, 0.0000366300000000 ] - [ 0.0003531600000000, 0.0018094000000000, 0.0016158400000000 ] - [ -0.0001145200000000, -0.0003386900000000, -0.0000861300000000 ] - [ -0.0000154600000000, 0.0004000800000000, 0.0001899600000000 ] - [ 0.0002163600000000, 0.0008771500000000, -0.0003999200000000 ] - [ -0.0000257400000000, 0.0009141600000000, 0.0000018600000000 ] - [ -0.0002023000000000, -0.0004003000000000, -0.0002498600000000 ] - [ -0.0005165800000000, -0.0000449700000000, 0.0004066800000000 ] - [ 0.0002892800000000, -0.0000658400000000, -0.0004989400000000 ] - [ -0.0003327600000000, 0.0019526600000000, -0.0009287700000000 ] - [ -0.0001470700000000, 0.0008179000000000, -0.0000149300000000 ] - [ 0.0016265100000000, -0.0011214500000000, -0.0004422700000000 ] - [ 0.0005516700000000, 0.0012706000000000, -0.0000799600000000 ]- atom: 147 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0011614800000000, -0.0045600400000000, 0.0000021800000000 ] - [ -0.0000342500000000, 0.0006701300000000, -0.0001307800000000 ] - [ 0.0003127500000000, 0.0000754200000000, -0.0005303000000000 ] - [ -0.0000603800000000, -0.0008930800000000, -0.0001412700000000 ] - [ -0.0000313400000000, 0.0002560800000000, -0.0000841800000000 ] - [ -0.0001321800000000, 0.0003238800000000, 0.0000323600000000 ] - [ -0.0000761000000000, 0.0007462400000000, -0.0000239800000000 ] - [ -0.0019903400000000, 0.0002631900000000, 0.0012867500000000 ] - [ 0.0011278900000000, -0.0029220100000000, 0.0012850600000000 ] - [ 0.0000560500000000, 0.0005962700000000, 0.0001454400000000 ] - [ 0.0002758100000000, -0.0001663600000000, 0.0002915900000000 ] - [ -0.0000105100000000, -0.0002212600000000, -0.0008326900000000 ] - [ 0.0004301100000000, 0.0000073000000000, 0.0001073900000000 ] - [ 0.0001047000000000, -0.0003453900000000, -0.0003779500000000 ] - [ -0.0000544800000000, 0.0003598200000000, 0.0000016300000000 ] - [ -0.0002797100000000, 0.0003294500000000, 0.0002979900000000 ] - [ -0.0002128000000000, 0.0006588400000000, 0.0002170500000000 ] - [ -0.0000924400000000, -0.0001090600000000, -0.0002352000000000 ] - [ -0.0005169600000000, 0.0005678100000000, -0.0002936700000000 ] - [ -0.0000953400000000, -0.0026669300000000, 0.0005008300000000 ] - [ 0.0005130400000000, 0.0008153600000000, -0.0001535200000000 ] - [ -0.0000391600000000, 0.0006834000000000, -0.0001930300000000 ] - [ -0.0001719100000000, -0.0004085000000000, 0.0002462700000000 ] - [ 0.0002516400000000, -0.0006078100000000, -0.0002359800000000 ] - [ 0.0026900900000000, 0.0009493100000000, -0.0017397200000000 ] - [ -0.0020594500000000, 0.0008193300000000, -0.0009663900000000 ] - [ -0.0004626900000000, -0.0018883000000000, 0.0005069800000000 ] - [ 0.0003718600000000, 0.0013253500000000, 0.0003204900000000 ] - [ -0.0001436900000000, 0.0017958200000000, -0.0000138500000000 ] - [ 0.0003125700000000, -0.0026346500000000, 0.0000737600000000 ] - [ -0.0000455200000000, 0.0016424500000000, 0.0003437500000000 ] - [ 0.0000004600000000, 0.0019063300000000, 0.0001128100000000 ] - [ -0.0008046000000000, 0.0025301500000000, 0.0019296700000000 ] - [ -0.0001631200000000, 0.0014671300000000, -0.0004161400000000 ] - [ -0.0003237900000000, -0.0008318200000000, 0.0007986300000000 ] - [ 0.0002781000000000, -0.0003310100000000, 0.0006124200000000 ] - [ -0.0014514500000000, 0.0078362300000000, -0.0046404100000000 ] - [ -0.0004786100000000, 0.0016125200000000, -0.0002618200000000 ] - [ -0.0004650600000000, 0.0009354800000000, 0.0005739300000000 ] - [ 0.0006058900000000, 0.0013093800000000, -0.0007988200000000 ] - [ -0.0007914900000000, -0.0126068000000000, -0.0088987600000000 ] - [ 0.0000910100000000, -0.0045780700000000, -0.0044908700000000 ] - [ 0.0004670500000000, 0.0013924000000000, -0.0009459900000000 ] - [ -0.0001913200000000, 0.0006752200000000, -0.0001897100000000 ] - [ 0.0064426900000000, 0.0022329600000000, 0.0066863700000000 ] - [ 0.0003247100000000, 0.0003590100000000, -0.0009791500000000 ] - [ -0.0000434000000000, -0.0016569500000000, 0.0001192200000000 ] - [ -0.0006298200000000, 0.0010528300000000, -0.0003921400000000 ] - [ -0.0005378200000000, -0.0011229900000000, 0.0009590900000000 ] - [ 0.0000374400000000, 0.0008600700000000, 0.0000099700000000 ] - [ -0.0000057100000000, 0.0000244600000000, -0.0013022700000000 ] - [ -0.0011529400000000, 0.0008923700000000, 0.0008091700000000 ] - [ -0.0009730100000000, 0.0034473000000000, 0.0008191700000000 ] - [ -0.0000876400000000, 0.0023534200000000, -0.0008672600000000 ] - [ 0.0002148400000000, 0.0004398400000000, 0.0000315900000000 ] - [ 0.0000027100000000, -0.0005907400000000, -0.0009272000000000 ] - [ -0.0001399700000000, 0.0018637700000000, -0.0001090600000000 ] - [ 0.0000436800000000, 0.0001399000000000, -0.0001273100000000 ] - [ 0.0002222300000000, 0.0004478600000000, -0.0001018000000000 ] - [ -0.0034533300000000, -0.0057024600000000, 0.0002095400000000 ] - [ 0.0013861300000000, -0.0011111800000000, -0.0006205000000000 ] - [ 0.0004649400000000, 0.0003863100000000, -0.0000260100000000 ] - [ 0.0001652000000000, -0.0004670100000000, 0.0001577100000000 ] - [ 0.0018408600000000, -0.0005323900000000, -0.0008674100000000 ] - [ -0.0001179600000000, 0.0000465600000000, -0.0010253200000000 ] - [ 0.0002727600000000, -0.0010900800000000, -0.0009881900000000 ] - [ -0.0001835000000000, 0.0002884500000000, 0.0000280700000000 ] - [ -0.0401331800000000, -0.1526134400000000, 0.1145223600000000 ] - [ -0.0004766900000000, 0.0008647300000000, 0.0003387700000000 ] - [ -0.0003632700000000, 0.0005002600000000, 0.0007759400000000 ] - [ -0.0003015800000000, 0.0000153600000000, 0.0001904400000000 ] - [ 0.0000554300000000, 0.0014704900000000, -0.0000540600000000 ] - [ 0.0018522000000000, 0.0012597000000000, -0.0000459100000000 ] - [ -0.0007125700000000, 0.0005904100000000, 0.0007197800000000 ] - [ 0.0014337300000000, 0.0005135000000000, 0.0017521100000000 ] - [ 0.0004239600000000, 0.0010299200000000, 0.0000100200000000 ] - [ 0.0001000200000000, 0.0006467100000000, -0.0000367200000000 ] - [ -0.0000104600000000, 0.0007853000000000, -0.0000980400000000 ] - [ -0.0013657600000000, -0.0008490700000000, -0.0003187700000000 ] - [ 0.0021960200000000, -0.0041818500000000, -0.0008001600000000 ] - [ 0.0002050900000000, -0.0004868100000000, -0.0000122700000000 ] - [ 0.0002933200000000, -0.0007344700000000, -0.0003180900000000 ] - [ 0.0000466300000000, -0.0007051400000000, -0.0002041600000000 ] - [ -0.0000908800000000, -0.0007944200000000, -0.0001718000000000 ] - [ 0.0000151800000000, 0.0032685900000000, 0.0001042900000000 ] - [ -0.0004808400000000, 0.0001188100000000, -0.0015002800000000 ] - [ 0.0008374400000000, -0.0008666500000000, -0.0004273100000000 ] - [ -0.0002236800000000, -0.0001735100000000, 0.0002955000000000 ] - [ -0.0000882800000000, -0.0005990900000000, -0.0001477300000000 ] - [ 0.0003086300000000, -0.0010887500000000, 0.0001157700000000 ] - [ -0.0008227100000000, -0.0009459700000000, -0.0004173800000000 ] - [ -0.0001248200000000, -0.0004558000000000, 0.0000587100000000 ] - [ -0.0001213300000000, 0.0004276700000000, 0.0006096800000000 ] - [ 0.0002766000000000, 0.0004982000000000, 0.0007302800000000 ] - [ -0.0010620800000000, -0.0042394500000000, -0.0060491600000000 ] - [ -0.0000072100000000, -0.0007274800000000, -0.0003117500000000 ] - [ -0.0028029700000000, 0.0018316600000000, 0.0049034300000000 ] - [ -0.0000343900000000, -0.0023442900000000, 0.0002217400000000 ] - [ -0.0002462500000000, -0.0002276600000000, 0.0000864400000000 ] - [ 0.0011239300000000, -0.0005191500000000, -0.0008290700000000 ] - [ -0.0005117100000000, 0.0009808000000000, -0.0002754000000000 ] - [ -0.0001780300000000, -0.0000296000000000, -0.0003575000000000 ] - [ 0.0008599900000000, -0.0006277900000000, -0.0000989900000000 ] - [ -0.0002350000000000, -0.0009970700000000, 0.0004245900000000 ] - [ 0.0001554600000000, 0.0004896100000000, -0.0001226300000000 ] - [ -0.0026709300000000, 0.0015412700000000, -0.0002467800000000 ] - [ -0.0001681600000000, -0.0002268500000000, 0.0002054500000000 ] - [ 0.0008205800000000, -0.0003314400000000, -0.0001937700000000 ] - [ 0.0017675100000000, -0.0017033400000000, -0.0002621100000000 ] - [ -0.0001983400000000, -0.0000579400000000, 0.0005306100000000 ] - [ -0.0003139500000000, -0.0012383300000000, 0.0005051200000000 ] - [ 0.0005263200000000, -0.0005856700000000, 0.0003026800000000 ] - [ 0.0007176400000000, 0.0004434100000000, -0.0013191000000000 ] - [ 0.0001263900000000, 0.0006718400000000, -0.0003407800000000 ] - [ -0.0009417600000000, 0.0014123700000000, -0.0000277500000000 ] - [ -0.0002729500000000, -0.0004849500000000, 0.0001326300000000 ] - [ -0.0010898000000000, -0.0030228800000000, -0.0005487000000000 ] - [ 0.0001767700000000, 0.0005428100000000, 0.0000085600000000 ] - [ -0.0003449500000000, -0.0012379300000000, -0.0000612500000000 ] - [ 0.0000273700000000, 0.0041770100000000, -0.0009516000000000 ] - [ -0.0017283500000000, 0.0018564000000000, 0.0001270300000000 ] - [ -0.0001387800000000, -0.0006137000000000, 0.0000696200000000 ] - [ -0.0002824300000000, -0.0011534000000000, -0.0001796900000000 ] - [ 0.0001675600000000, -0.0007320900000000, 0.0000188200000000 ] - [ -0.0001744600000000, -0.0010300400000000, -0.0003099500000000 ] - [ 0.0040463400000000, 0.0001577700000000, 0.0305272400000000 ] - [ 0.0000945300000000, -0.0013324700000000, -0.0000864600000000 ] - [ -0.0001793600000000, -0.0002271900000000, 0.0007473200000000 ] - [ -0.0003673600000000, -0.0019012800000000, -0.0005988500000000 ] - [ 0.0005810000000000, -0.0004400300000000, 0.0000045400000000 ] - [ -0.0002127000000000, -0.0005776000000000, -0.0001504100000000 ] - [ -0.0002816000000000, -0.0002662600000000, 0.0003870300000000 ] - [ -0.0003358500000000, 0.0006953300000000, -0.0001753600000000 ] - [ -0.0009138700000000, -0.0002665100000000, 0.0011371300000000 ] - [ -0.0008474300000000, -0.0013718500000000, 0.0012491900000000 ] - [ 0.0053554800000000, 0.0016385900000000, 0.0045587600000000 ] - [ 0.0006960200000000, -0.0005781800000000, 0.0000839000000000 ] - [ 0.0001103500000000, 0.0001842000000000, 0.0017337300000000 ] - [ 0.0000783700000000, -0.0001506600000000, -0.0001893700000000 ] - [ -0.0017921000000000, 0.0001102700000000, 0.0021654800000000 ] - [ -0.0001244600000000, -0.0017422400000000, 0.0002671700000000 ] - [ -0.0294530400000000, -0.0223063900000000, 0.0204989500000000 ] - [ -0.0002715700000000, -0.0004594300000000, -0.0001412600000000 ] - [ -0.0004148500000000, 0.0008735400000000, 0.0002556500000000 ] - [ 0.0010368800000000, 0.0014214800000000, 0.0006076600000000 ] - [ 0.0002466600000000, 0.0000358900000000, -0.0000486800000000 ] - [ 0.0654750300000000, 0.1956355900000000, -0.1592813600000000 ] - [ -0.0006967000000000, -0.0009030100000000, -0.0002944300000000 ] - [ 0.0000537800000000, 0.0009219600000000, -0.0011758800000000 ] - [ 0.0002230400000000, -0.0005114500000000, 0.0002241300000000 ] - [ 0.0001990800000000, -0.0006442900000000, -0.0002816300000000 ] - [ -0.0004985800000000, -0.0010924300000000, 0.0005833600000000 ] - [ 0.0001599200000000, -0.0006689100000000, -0.0003431700000000 ] - [ 0.0008105700000000, -0.0010844400000000, 0.0010532900000000 ] - [ -0.0001892500000000, 0.0003099800000000, 0.0004511000000000 ] - [ -0.0009522400000000, 0.0004409700000000, -0.0004631700000000 ] - [ -0.0000627300000000, 0.0014827300000000, -0.0006315300000000 ] - [ 0.0004260900000000, 0.0004969200000000, 0.0008359600000000 ] - [ -0.0000187000000000, 0.0000049900000000, 0.0000998400000000 ] - [ 0.0015497000000000, -0.0003769000000000, 0.0010373400000000 ] - [ 0.0001914100000000, -0.0001901300000000, 0.0005994600000000 ] - [ -0.0000097600000000, 0.0002559200000000, 0.0001784800000000 ] - [ 0.0015478500000000, 0.0019267300000000, -0.0003356100000000 ] - [ -0.0016552300000000, -0.0014675400000000, -0.0004225700000000 ] - [ -0.0008011800000000, -0.0017139300000000, -0.0013613600000000 ] - [ -0.0001189000000000, 0.0004865000000000, 0.0005219700000000 ] - [ -0.0001176900000000, -0.0003803100000000, 0.0006629900000000 ] - [ 0.0000745200000000, -0.0006541300000000, 0.0000647000000000 ] - [ 0.0002276100000000, -0.0012378300000000, 0.0001190400000000 ] - [ 0.0011381300000000, -0.0001652100000000, 0.0001229500000000 ] - [ -0.0004227000000000, 0.0006154700000000, -0.0002803200000000 ] - [ 0.0002758600000000, -0.0001269200000000, 0.0000383400000000 ] - [ 0.0000159900000000, -0.0018458500000000, 0.0005933900000000 ] - [ -0.0004295300000000, -0.0008422600000000, -0.0005732600000000 ] - [ -0.0012233500000000, 0.0002458200000000, 0.0004958400000000 ] - [ 0.0000163500000000, -0.0010663900000000, -0.0003811800000000 ]- atom: 147 displacement: [ -0.0035230240541542, 0.0000000000000000, 0.0093588621911988 ] forces: - [ -0.0002820700000000, -0.0001992500000000, 0.0028348800000000 ] - [ -0.0000315500000000, 0.0004151400000000, -0.0002654300000000 ] - [ 0.0005230000000000, 0.0001838100000000, -0.0011924700000000 ] - [ -0.0008740900000000, -0.0003673900000000, -0.0011069800000000 ] - [ -0.0000892400000000, -0.0000284500000000, 0.0000496700000000 ] - [ -0.0001708800000000, -0.0003411000000000, -0.0003160800000000 ] - [ -0.0000290300000000, 0.0004717000000000, 0.0000088400000000 ] - [ 0.0009625500000000, -0.0021046300000000, 0.0037232300000000 ] - [ -0.0019892400000000, -0.0013868000000000, 0.0030218000000000 ] - [ 0.0000776400000000, 0.0003119800000000, 0.0003666200000000 ] - [ 0.0002819500000000, 0.0001896600000000, 0.0010438300000000 ] - [ -0.0002216000000000, 0.0013503300000000, -0.0010754500000000 ] - [ 0.0004665200000000, -0.0001672900000000, -0.0002751000000000 ] - [ 0.0002552300000000, 0.0000946800000000, -0.0009234700000000 ] - [ -0.0000648800000000, 0.0000939400000000, -0.0001543200000000 ] - [ -0.0002591300000000, -0.0000064300000000, 0.0002264200000000 ] - [ -0.0002297200000000, 0.0000348500000000, 0.0007400800000000 ] - [ -0.0000526800000000, 0.0000026800000000, 0.0000133900000000 ] - [ -0.0004747300000000, 0.0004446800000000, -0.0002629600000000 ] - [ 0.0039142100000000, -0.0014771900000000, -0.0015154900000000 ] - [ 0.0003106800000000, 0.0003304100000000, 0.0001800900000000 ] - [ 0.0000173800000000, 0.0003990500000000, -0.0003780300000000 ] - [ -0.0010640300000000, -0.0008421800000000, -0.0004243200000000 ] - [ 0.0007419500000000, -0.0001912000000000, -0.0013783300000000 ] - [ 0.0031642900000000, 0.0046555700000000, 0.0011668500000000 ] - [ -0.0013507100000000, 0.0022938800000000, 0.0004858300000000 ] - [ 0.0020780600000000, -0.0047560100000000, -0.0029167200000000 ] - [ -0.0008094500000000, -0.0004721500000000, 0.0005633300000000 ] - [ -0.0001483400000000, 0.0011195300000000, -0.0004129200000000 ] - [ 0.0011609600000000, -0.0022211500000000, 0.0007931200000000 ] - [ 0.0000040200000000, 0.0008936400000000, 0.0005250000000000 ] - [ -0.0000479900000000, 0.0007877900000000, 0.0003602600000000 ] - [ -0.0004760600000000, 0.0001375300000000, 0.0012440900000000 ] - [ -0.0002177800000000, 0.0007859300000000, -0.0005772400000000 ] - [ 0.0011617500000000, -0.0017172700000000, -0.0013844400000000 ] - [ -0.0007142100000000, -0.0012533400000000, -0.0010758200000000 ] - [ 0.0007247800000000, 0.0126039900000000, -0.0041532100000000 ] - [ 0.0001031200000000, 0.0002110700000000, 0.0005886100000000 ] - [ 0.0004890900000000, -0.0011692800000000, 0.0007780900000000 ] - [ 0.0002979000000000, 0.0010918700000000, -0.0006538700000000 ] - [ -0.0036579500000000, 0.0054139500000000, 0.0249976700000000 ] - [ 0.0002846700000000, -0.0039223400000000, -0.0129437000000000 ] - [ 0.0008756600000000, 0.0015020300000000, -0.0015739200000000 ] - [ -0.0001579300000000, 0.0004097200000000, -0.0008877900000000 ] - [ 0.0032389000000000, 0.0016614500000000, 0.0124271800000000 ] - [ 0.0001454900000000, -0.0006111600000000, -0.0034305500000000 ] - [ -0.0006560900000000, -0.0006190700000000, -0.0022892200000000 ] - [ -0.0011646400000000, 0.0016829700000000, -0.0005992900000000 ] - [ -0.0001624200000000, -0.0029188100000000, -0.0002944300000000 ] - [ 0.0001526900000000, 0.0011681300000000, 0.0001029800000000 ] - [ 0.0008591100000000, 0.0011714400000000, -0.0035875400000000 ] - [ -0.0015748600000000, 0.0011121700000000, 0.0023904700000000 ] - [ 0.0002337500000000, -0.0049687600000000, -0.0017344800000000 ] - [ -0.0006566200000000, 0.0015316900000000, -0.0001590700000000 ] - [ 0.0001526600000000, -0.0000252500000000, -0.0000192500000000 ] - [ -0.0000577400000000, -0.0006653600000000, -0.0016420700000000 ] - [ -0.0002211500000000, 0.0020851700000000, -0.0000695200000000 ] - [ 0.0003107000000000, -0.0002821600000000, -0.0001366700000000 ] - [ 0.0009654800000000, -0.0004315100000000, -0.0000574000000000 ] - [ -0.0037816600000000, -0.0017194100000000, 0.0012462000000000 ] - [ 0.0016913300000000, -0.0007441700000000, 0.0018580500000000 ] - [ 0.0003440300000000, 0.0003081000000000, -0.0002967000000000 ] - [ 0.0002398100000000, -0.0002243800000000, -0.0000541500000000 ] - [ 0.0033103100000000, 0.0001691400000000, -0.0010345000000000 ] - [ -0.0003688300000000, 0.0001679200000000, -0.0018153700000000 ] - [ 0.0013337600000000, -0.0056396900000000, -0.0059771500000000 ] - [ 0.0000026400000000, -0.0004453700000000, -0.0009568200000000 ] - [ -0.0633747300000000, -0.1138278100000000, 0.1793836200000000 ] - [ -0.0003856100000000, 0.0005005200000000, -0.0000397000000000 ] - [ 0.0001626900000000, -0.0007568100000000, 0.0017443300000000 ] - [ -0.0009400500000000, -0.0002200400000000, -0.0006151600000000 ] - [ 0.0000679100000000, 0.0005663900000000, 0.0000320100000000 ] - [ 0.0027425000000000, 0.0011380100000000, 0.0008006500000000 ] - [ -0.0003059900000000, 0.0002963100000000, 0.0008372600000000 ] - [ -0.0000100900000000, 0.0003499100000000, 0.0019168300000000 ] - [ 0.0000770700000000, 0.0001724100000000, 0.0004072100000000 ] - [ -0.0001357000000000, 0.0000647700000000, -0.0000956000000000 ] - [ 0.0000615900000000, -0.0000505000000000, -0.0000958300000000 ] - [ -0.0032069500000000, 0.0001143500000000, -0.0008188200000000 ] - [ 0.0069611000000000, 0.0006505800000000, -0.0014577700000000 ] - [ 0.0003138600000000, 0.0001894900000000, -0.0001303900000000 ] - [ 0.0003371500000000, -0.0001302500000000, -0.0016519500000000 ] - [ -0.0003124500000000, 0.0001195100000000, -0.0004289700000000 ] - [ -0.0000988000000000, 0.0002304300000000, -0.0002918200000000 ] - [ -0.0058128700000000, 0.0028024500000000, 0.0052173900000000 ] - [ 0.0001137200000000, 0.0004396300000000, -0.0010589900000000 ] - [ 0.0004292800000000, -0.0003456900000000, -0.0004687100000000 ] - [ -0.0002232400000000, -0.0003405300000000, 0.0006312900000000 ] - [ -0.0001473100000000, -0.0003298100000000, -0.0001875800000000 ] - [ 0.0004394400000000, -0.0008088500000000, 0.0002243000000000 ] - [ -0.0010264800000000, -0.0005515700000000, -0.0014930400000000 ] - [ -0.0000854800000000, 0.0005050300000000, 0.0000403100000000 ] - [ 0.0000705800000000, 0.0004224700000000, 0.0015820700000000 ] - [ 0.0008474100000000, 0.0015027100000000, 0.0055403100000000 ] - [ 0.0031490000000000, 0.0111068200000000, -0.0005943000000000 ] - [ -0.0002205500000000, 0.0000220600000000, -0.0003535700000000 ] - [ -0.0068426900000000, -0.0050100600000000, 0.0062694200000000 ] - [ 0.0001748200000000, -0.0016434800000000, 0.0000700000000000 ] - [ -0.0000298100000000, 0.0001284000000000, 0.0007085300000000 ] - [ -0.0011904800000000, 0.0022945200000000, 0.0004245600000000 ] - [ -0.0003579900000000, 0.0000461000000000, -0.0015247600000000 ] - [ -0.0004847700000000, 0.0007864100000000, 0.0004333600000000 ] - [ 0.0002643700000000, -0.0002495700000000, -0.0013333300000000 ] - [ -0.0005793900000000, -0.0013860000000000, 0.0000988100000000 ] - [ -0.0002828000000000, 0.0000517300000000, 0.0004659100000000 ] - [ -0.0024566300000000, 0.0009103800000000, -0.0015730800000000 ] - [ 0.0002300400000000, -0.0002015300000000, 0.0010744400000000 ] - [ 0.0008947300000000, -0.0003447500000000, -0.0007582500000000 ] - [ 0.0028328400000000, -0.0025829800000000, -0.0016434500000000 ] - [ -0.0003866400000000, 0.0005747200000000, 0.0013606600000000 ] - [ -0.0001801800000000, -0.0005330900000000, 0.0000055600000000 ] - [ 0.0004698800000000, -0.0003504500000000, 0.0004479300000000 ] - [ -0.0003114700000000, 0.0016750000000000, -0.0010104100000000 ] - [ -0.0003430400000000, 0.0019239400000000, 0.0001138100000000 ] - [ -0.0020652900000000, 0.0005336500000000, -0.0020743200000000 ] - [ -0.0001767200000000, -0.0003037400000000, 0.0002366600000000 ] - [ -0.0021477800000000, -0.0043525900000000, -0.0022731100000000 ] - [ -0.0000022700000000, 0.0005368800000000, 0.0003912700000000 ] - [ -0.0003708700000000, -0.0008408800000000, 0.0000249100000000 ] - [ 0.0045133800000000, 0.0024520200000000, -0.0021436500000000 ] - [ -0.0047624300000000, -0.0002638500000000, -0.0001284500000000 ] - [ 0.0000066000000000, -0.0001807100000000, 0.0002925800000000 ] - [ -0.0001932200000000, -0.0003708900000000, -0.0002316700000000 ] - [ 0.0000225900000000, 0.0000645600000000, 0.0000563400000000 ] - [ -0.0003005000000000, -0.0005998300000000, -0.0000339500000000 ] - [ 0.0127197500000000, -0.0310349100000000, 0.0431658400000000 ] - [ 0.0000052800000000, -0.0003325800000000, -0.0003990600000000 ] - [ -0.0001044000000000, -0.0006198400000000, 0.0011612400000000 ] - [ 0.0030074900000000, 0.0026483600000000, -0.0002988400000000 ] - [ 0.0002499700000000, -0.0004921300000000, -0.0002467500000000 ] - [ -0.0002690500000000, -0.0002722800000000, -0.0004491200000000 ] - [ -0.0002000500000000, -0.0003419200000000, 0.0008653700000000 ] - [ -0.0000694100000000, 0.0002669300000000, 0.0004694800000000 ] - [ -0.0017350000000000, -0.0008794300000000, 0.0012849900000000 ] - [ 0.0000191500000000, -0.0014061500000000, -0.0000191200000000 ] - [ 0.0066066900000000, -0.0028846700000000, 0.0003039200000000 ] - [ 0.0004264400000000, -0.0002245900000000, 0.0001665200000000 ] - [ -0.0002306700000000, -0.0006026000000000, 0.0049475000000000 ] - [ 0.0002027800000000, 0.0003202800000000, -0.0001420900000000 ] - [ -0.0034004200000000, -0.0009750300000000, 0.0028862400000000 ] - [ -0.0002538400000000, -0.0016146800000000, 0.0003350300000000 ] - [ -0.0230716600000000, -0.0364494600000000, 0.0029795700000000 ] - [ -0.0003055100000000, 0.0000120000000000, 0.0003142300000000 ] - [ -0.0009538500000000, 0.0026428700000000, 0.0023651900000000 ] - [ 0.0025206700000000, 0.0007062400000000, 0.0018069600000000 ] - [ 0.0006005700000000, 0.0004472900000000, 0.0004998000000000 ] - [ 0.0664197100000000, 0.1735187800000000, -0.2744000600000000 ] - [ -0.0003763800000000, -0.0003189000000000, 0.0000713300000000 ] - [ 0.0004362800000000, 0.0018828500000000, 0.0007928000000000 ] - [ 0.0002547500000000, -0.0002598700000000, 0.0005165100000000 ] - [ 0.0001776200000000, -0.0001768900000000, -0.0000640900000000 ] - [ -0.0007162200000000, -0.0008793900000000, 0.0002344400000000 ] - [ 0.0002226600000000, -0.0004231000000000, -0.0001873600000000 ] - [ 0.0004038600000000, -0.0004671300000000, -0.0002270400000000 ] - [ -0.0017787500000000, -0.0002827400000000, 0.0020331000000000 ] - [ -0.0010554700000000, 0.0006308600000000, -0.0007680200000000 ] - [ -0.0006218400000000, 0.0021984100000000, 0.0015078000000000 ] - [ 0.0006067100000000, 0.0001491600000000, 0.0018647100000000 ] - [ 0.0023426400000000, 0.0001047300000000, 0.0133564700000000 ] - [ 0.0027353400000000, -0.0018910300000000, 0.0024809900000000 ] - [ 0.0003600200000000, -0.0006518100000000, 0.0009370700000000 ] - [ -0.0002100700000000, 0.0008446300000000, 0.0005340300000000 ] - [ 0.0021238200000000, 0.0000973100000000, -0.0007297900000000 ] - [ -0.0000694200000000, -0.0008943500000000, -0.0026866400000000 ] - [ 0.0002256600000000, -0.0003180600000000, -0.0008765100000000 ] - [ -0.0003222700000000, 0.0003718800000000, 0.0017744500000000 ] - [ -0.0001290100000000, -0.0002112600000000, 0.0010454900000000 ] - [ 0.0001258200000000, -0.0007521100000000, -0.0001137000000000 ] - [ 0.0003582800000000, -0.0011328700000000, 0.0001201500000000 ] - [ 0.0024024800000000, -0.0007242100000000, 0.0006387000000000 ] - [ -0.0016354500000000, 0.0013903500000000, -0.0001084900000000 ] - [ 0.0000636600000000, 0.0004295100000000, 0.0010343300000000 ] - [ 0.0000869500000000, -0.0026301400000000, 0.0010349100000000 ] - [ -0.0003528300000000, -0.0002267500000000, -0.0006723900000000 ] - [ -0.0022067900000000, -0.0000549100000000, 0.0014338300000000 ] - [ 0.0001132700000000, -0.0002015700000000, -0.0006299900000000 ]- atom: 147 displacement: [ 0.0035230240541542, 0.0000000000000000, -0.0093588621911988 ] forces: - [ 0.0004687600000000, -0.0000167500000000, -0.0026624500000000 ] - [ -0.0001015000000000, 0.0000300800000000, 0.0002138400000000 ] - [ 0.0000944200000000, -0.0001928000000000, 0.0010504500000000 ] - [ 0.0009715600000000, -0.0003030700000000, 0.0013898000000000 ] - [ -0.0000025300000000, -0.0006381900000000, -0.0003268900000000 ] - [ -0.0000191000000000, 0.0001256500000000, 0.0001287100000000 ] - [ -0.0001611500000000, -0.0002530600000000, -0.0001958900000000 ] - [ -0.0000683200000000, 0.0024117000000000, -0.0035285600000000 ] - [ 0.0020851300000000, 0.0012886100000000, -0.0031128000000000 ] - [ -0.0001376000000000, -0.0002020900000000, -0.0002504500000000 ] - [ -0.0001867300000000, 0.0004795300000000, -0.0007710800000000 ] - [ 0.0003573500000000, -0.0018089900000000, 0.0011319500000000 ] - [ 0.0004043300000000, -0.0001714400000000, 0.0004985300000000 ] - [ -0.0001967500000000, 0.0000126000000000, 0.0008090400000000 ] - [ 0.0000048200000000, -0.0002026000000000, 0.0002716000000000 ] - [ -0.0003580900000000, -0.0000014100000000, -0.0000815200000000 ] - [ 0.0000962400000000, -0.0004786000000000, -0.0007936900000000 ] - [ -0.0008193000000000, -0.0003436300000000, -0.0002328700000000 ] - [ -0.0003967800000000, -0.0001061200000000, 0.0000411200000000 ] - [ -0.0037787200000000, 0.0019211300000000, 0.0015748200000000 ] - [ 0.0003080100000000, -0.0003182200000000, -0.0003262800000000 ] - [ -0.0001095400000000, 0.0002690500000000, 0.0001010500000000 ] - [ 0.0004531400000000, 0.0008576700000000, 0.0005691900000000 ] - [ -0.0005549000000000, 0.0004080800000000, 0.0015729400000000 ] - [ -0.0026674400000000, -0.0050082500000000, -0.0002896700000000 ] - [ 0.0014354600000000, -0.0027802000000000, -0.0002133500000000 ] - [ -0.0024853400000000, 0.0037618700000000, 0.0035946200000000 ] - [ 0.0003017100000000, 0.0001506300000000, -0.0014712600000000 ] - [ 0.0000638100000000, -0.0006390400000000, 0.0001345000000000 ] - [ -0.0009831900000000, 0.0025453000000000, -0.0016722400000000 ] - [ -0.0001867800000000, -0.0005735100000000, 0.0003305300000000 ] - [ 0.0001609600000000, -0.0004146100000000, -0.0002867100000000 ] - [ 0.0000820600000000, 0.0008976200000000, -0.0005704100000000 ] - [ -0.0002917500000000, -0.0004583200000000, -0.0003254200000000 ] - [ -0.0012771200000000, 0.0013471300000000, 0.0013197800000000 ] - [ 0.0008986800000000, 0.0009371600000000, 0.0002322900000000 ] - [ -0.0003295200000000, -0.0124350200000000, 0.0040780300000000 ] - [ 0.0002840800000000, -0.0012317000000000, -0.0012602000000000 ] - [ -0.0005753100000000, 0.0006945300000000, -0.0010658300000000 ] - [ 0.0000780700000000, -0.0012799000000000, 0.0005506500000000 ] - [ 0.0030705100000000, -0.0053690800000000, -0.0270496300000000 ] - [ 0.0002283400000000, 0.0042314300000000, 0.0138614500000000 ] - [ -0.0007638500000000, -0.0018726100000000, 0.0016545000000000 ] - [ -0.0002167400000000, -0.0002248000000000, 0.0009940200000000 ] - [ -0.0036243800000000, -0.0018803200000000, -0.0123601200000000 ] - [ 0.0002441600000000, 0.0016468800000000, 0.0027774600000000 ] - [ 0.0007411300000000, 0.0010902300000000, 0.0025974900000000 ] - [ 0.0009820000000000, -0.0019994500000000, 0.0014615800000000 ] - [ -0.0001756000000000, 0.0024413400000000, 0.0002496300000000 ] - [ -0.0000898900000000, -0.0007911800000000, 0.0000594000000000 ] - [ -0.0004273500000000, -0.0010978800000000, 0.0028951300000000 ] - [ 0.0018693700000000, -0.0012578000000000, -0.0018467800000000 ] - [ 0.0001782000000000, 0.0056538900000000, 0.0015126300000000 ] - [ 0.0002474400000000, -0.0008558100000000, 0.0003847100000000 ] - [ 0.0001787100000000, -0.0004507200000000, 0.0000677800000000 ] - [ 0.0003489600000000, -0.0001053900000000, 0.0011878300000000 ] - [ 0.0002501400000000, -0.0014812300000000, -0.0001451700000000 ] - [ 0.0001015100000000, -0.0003913200000000, -0.0000914200000000 ] - [ -0.0010298100000000, 0.0008121800000000, -0.0001052600000000 ] - [ 0.0037590700000000, 0.0011163200000000, -0.0010468800000000 ] - [ -0.0019775300000000, 0.0008836400000000, -0.0023968400000000 ] - [ -0.0000514900000000, -0.0001650500000000, 0.0008416400000000 ] - [ -0.0002675600000000, 0.0008273300000000, 0.0002706400000000 ] - [ -0.0037318200000000, -0.0008441100000000, 0.0012676300000000 ] - [ 0.0000774700000000, -0.0003119300000000, 0.0012754500000000 ] - [ -0.0010838700000000, 0.0054170700000000, 0.0058800200000000 ] - [ -0.0002608900000000, 0.0007122800000000, 0.0010985900000000 ] - [ 0.0609843100000000, 0.1055063100000000, -0.1719299000000000 ] - [ 0.0000950800000000, 0.0002691300000000, 0.0004991300000000 ] - [ 0.0000913300000000, 0.0010230900000000, -0.0018864900000000 ] - [ 0.0005072700000000, 0.0001448300000000, 0.0013148400000000 ] - [ 0.0002626500000000, -0.0000852500000000, 0.0000159000000000 ] - [ -0.0030370700000000, -0.0019095100000000, -0.0003438300000000 ] - [ -0.0001323500000000, -0.0002175800000000, -0.0001390300000000 ] - [ 0.0004508000000000, -0.0004230900000000, -0.0026129500000000 ] - [ -0.0003319200000000, -0.0004308800000000, -0.0002691100000000 ] - [ 0.0000732100000000, -0.0004423900000000, -0.0000668100000000 ] - [ -0.0000329200000000, -0.0005520100000000, -0.0001187100000000 ] - [ 0.0032686300000000, -0.0004992300000000, 0.0009802600000000 ] - [ -0.0073398200000000, -0.0001871300000000, 0.0014009700000000 ] - [ 0.0002080800000000, 0.0005961100000000, 0.0001917300000000 ] - [ -0.0004703800000000, 0.0001153000000000, 0.0025077300000000 ] - [ -0.0002524800000000, -0.0003182000000000, 0.0008920500000000 ] - [ -0.0001956300000000, 0.0005212200000000, 0.0000495800000000 ] - [ 0.0059601100000000, -0.0028996400000000, -0.0045937900000000 ] - [ 0.0003525100000000, -0.0003740800000000, 0.0012452300000000 ] - [ 0.0000313900000000, 0.0002574800000000, 0.0002244400000000 ] - [ -0.0003218400000000, 0.0004259400000000, -0.0008389200000000 ] - [ -0.0002358000000000, 0.0002511700000000, 0.0005681600000000 ] - [ 0.0000829300000000, 0.0000207400000000, -0.0001644600000000 ] - [ 0.0012731800000000, 0.0006892600000000, 0.0017875800000000 ] - [ -0.0001668400000000, 0.0005653700000000, 0.0003104200000000 ] - [ -0.0005537700000000, 0.0000818000000000, -0.0007485400000000 ] - [ -0.0002760500000000, -0.0015409400000000, -0.0049872200000000 ] - [ -0.0033084100000000, -0.0123616500000000, 0.0009778300000000 ] - [ 0.0004464800000000, -0.0011303300000000, -0.0000125700000000 ] - [ 0.0072131800000000, 0.0058410400000000, -0.0060833100000000 ] - [ -0.0000254100000000, 0.0004527900000000, -0.0004046500000000 ] - [ -0.0003544000000000, -0.0000529300000000, -0.0003263100000000 ] - [ 0.0007887100000000, -0.0014239200000000, -0.0004720000000000 ] - [ 0.0004867300000000, -0.0000232200000000, 0.0006649300000000 ] - [ -0.0000900100000000, -0.0007633200000000, -0.0010219000000000 ] - [ 0.0003141200000000, 0.0002764300000000, 0.0019282300000000 ] - [ 0.0003569300000000, 0.0002805700000000, 0.0002712500000000 ] - [ 0.0005346600000000, -0.0011213400000000, -0.0008202100000000 ] - [ 0.0021892800000000, -0.0007918500000000, 0.0017848100000000 ] - [ -0.0006993400000000, 0.0002714900000000, -0.0012682000000000 ] - [ -0.0004123700000000, 0.0008483500000000, -0.0000819200000000 ] - [ -0.0025713100000000, 0.0024728300000000, 0.0014370900000000 ] - [ 0.0000598000000000, -0.0000302200000000, -0.0007741900000000 ] - [ -0.0001486900000000, -0.0000178100000000, 0.0005868300000000 ] - [ 0.0000768600000000, 0.0002674200000000, -0.0002431000000000 ] - [ 0.0006417100000000, -0.0011334300000000, 0.0004184600000000 ] - [ 0.0004250400000000, -0.0018488000000000, 0.0005463800000000 ] - [ 0.0015651000000000, -0.0010346700000000, 0.0029258000000000 ] - [ 0.0004399500000000, 0.0004160200000000, -0.0004405100000000 ] - [ 0.0026945500000000, 0.0044386400000000, 0.0024787300000000 ] - [ 0.0003188900000000, -0.0004359700000000, -0.0000600700000000 ] - [ 0.0000763800000000, 0.0000856300000000, -0.0002689000000000 ] - [ -0.0042200000000000, -0.0025578000000000, 0.0025129700000000 ] - [ 0.0042707500000000, 0.0010584000000000, 0.0000760600000000 ] - [ -0.0002969300000000, -0.0000429800000000, 0.0000396200000000 ] - [ -0.0001241800000000, 0.0002680800000000, -0.0001009300000000 ] - [ 0.0001798500000000, 0.0002621300000000, 0.0000648300000000 ] - [ -0.0001030400000000, -0.0002776500000000, -0.0000185100000000 ] - [ -0.0126695200000000, 0.0304155400000000, -0.0431143400000000 ] - [ -0.0000847100000000, 0.0002534900000000, -0.0002622900000000 ] - [ -0.0001433000000000, 0.0007613000000000, -0.0014561000000000 ] - [ -0.0020631100000000, -0.0025015700000000, 0.0004254300000000 ] - [ 0.0006901900000000, 0.0010603200000000, 0.0001203300000000 ] - [ -0.0001997100000000, 0.0001997300000000, 0.0002587200000000 ] - [ -0.0000633500000000, 0.0002313400000000, -0.0006651800000000 ] - [ -0.0001340000000000, -0.0005928900000000, -0.0005960400000000 ] - [ 0.0018868800000000, 0.0020707400000000, -0.0016244200000000 ] - [ -0.0009751300000000, 0.0015618900000000, -0.0000995300000000 ] - [ -0.0063898000000000, 0.0039866300000000, -0.0006201300000000 ] - [ 0.0005259600000000, 0.0000710300000000, -0.0000405400000000 ] - [ 0.0006154600000000, 0.0005288400000000, -0.0053388800000000 ] - [ 0.0000220100000000, 0.0007862400000000, -0.0002251400000000 ] - [ 0.0024535000000000, 0.0008279600000000, -0.0030236700000000 ] - [ 0.0000019100000000, 0.0005414700000000, 0.0000148400000000 ] - [ 0.0225032700000000, 0.0361568000000000, -0.0033761100000000 ] - [ 0.0002267200000000, 0.0000614300000000, -0.0009805200000000 ] - [ 0.0003928400000000, -0.0024654200000000, -0.0019162200000000 ] - [ -0.0027456400000000, 0.0004083400000000, -0.0014462200000000 ] - [ -0.0001449000000000, -0.0003658800000000, -0.0007452200000000 ] - [ -0.0638368000000000, -0.1635170900000000, 0.2688632400000000 ] - [ -0.0005629100000000, -0.0002498200000000, 0.0000545200000000 ] - [ -0.0009536600000000, -0.0026716600000000, -0.0008644200000000 ] - [ -0.0000080000000000, 0.0001225500000000, -0.0002260300000000 ] - [ 0.0000549900000000, 0.0000269600000000, -0.0003693300000000 ] - [ 0.0009495000000000, 0.0010288000000000, -0.0006684100000000 ] - [ 0.0002603300000000, -0.0000804200000000, -0.0006519000000000 ] - [ 0.0000029200000000, 0.0013413700000000, 0.0002854000000000 ] - [ 0.0013283500000000, 0.0001971800000000, -0.0017949500000000 ] - [ 0.0007644600000000, -0.0004100200000000, 0.0011047000000000 ] - [ 0.0009165400000000, -0.0029503100000000, -0.0012708000000000 ] - [ -0.0001362300000000, -0.0002197000000000, -0.0016696900000000 ] - [ -0.0020317600000000, -0.0006345600000000, -0.0140912600000000 ] - [ -0.0024438000000000, 0.0016633800000000, -0.0028088800000000 ] - [ -0.0002287200000000, 0.0006371600000000, -0.0017914500000000 ] - [ 0.0000601300000000, 0.0003439900000000, -0.0002007900000000 ] - [ -0.0023325700000000, 0.0002327200000000, 0.0006133800000000 ] - [ 0.0004429500000000, 0.0009588900000000, 0.0023211700000000 ] - [ -0.0006852700000000, 0.0003952600000000, 0.0011169900000000 ] - [ 0.0000898800000000, -0.0002196700000000, -0.0013464900000000 ] - [ -0.0000038500000000, 0.0002291800000000, -0.0001950700000000 ] - [ 0.0001636600000000, 0.0009760100000000, -0.0002186800000000 ] - [ -0.0001562300000000, 0.0008032300000000, -0.0000002000000000 ] - [ -0.0014663400000000, 0.0001586600000000, -0.0007708900000000 ] - [ 0.0007016400000000, -0.0008277100000000, 0.0002446900000000 ] - [ 0.0005059900000000, -0.0006309200000000, -0.0015007500000000 ] - [ -0.0004034700000000, 0.0027343700000000, -0.0013710200000000 ] - [ -0.0002244200000000, 0.0001956200000000, 0.0000824900000000 ] - [ 0.0026164700000000, -0.0008202600000000, -0.0013897700000000 ] - [ 0.0004538000000000, 0.0003950500000000, 0.0001693000000000 ]