# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/453b903b-2b67-41d2-903c-dd28974f151a/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 Ba2SnSe5 / P2_12_12_1 (19) / materials id 31307](https://mdr.nims.go.jp/datasets/8650c5e1-eeea-49c8-ad6d-823ab4759f64) ## 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_12_12_1" number: 19 Hall_symbol: "P 2ac 2ab"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 12.347639270000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 17.120632600000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 17.998700350000000 ] # c points: - symbol: Se # 1 coordinates: [ 0.359482090000000, 0.826278770000000, 0.870140050000000 ] mass: 78.960000 - symbol: Se # 2 coordinates: [ 0.859482090000000, 0.673721230000000, 0.129859950000000 ] mass: 78.960000 - symbol: Se # 3 coordinates: [ 0.640517910000000, 0.326278770000000, 0.629859950000000 ] mass: 78.960000 - symbol: Se # 4 coordinates: [ 0.140517910000000, 0.173721230000000, 0.370140050000000 ] mass: 78.960000 - symbol: Se # 5 coordinates: [ 0.365563110000000, 0.822825490000000, 0.625064790000000 ] mass: 78.960000 - symbol: Se # 6 coordinates: [ 0.865563110000000, 0.677174510000000, 0.374935210000000 ] mass: 78.960000 - symbol: Se # 7 coordinates: [ 0.634436890000000, 0.322825490000000, 0.874935210000000 ] mass: 78.960000 - symbol: Se # 8 coordinates: [ 0.134436890000000, 0.177174510000000, 0.125064790000000 ] mass: 78.960000 - symbol: Se # 9 coordinates: [ 0.012875990000000, 0.925401140000000, 0.868486770000000 ] mass: 78.960000 - symbol: Se # 10 coordinates: [ 0.512875990000000, 0.574598860000000, 0.131513230000000 ] mass: 78.960000 - symbol: Se # 11 coordinates: [ 0.987124010000000, 0.425401140000000, 0.631513230000000 ] mass: 78.960000 - symbol: Se # 12 coordinates: [ 0.487124010000000, 0.074598860000000, 0.368486770000000 ] mass: 78.960000 - symbol: Se # 13 coordinates: [ 0.505232910000000, 0.574403970000000, 0.378297360000000 ] mass: 78.960000 - symbol: Se # 14 coordinates: [ 0.005232910000000, 0.925596030000000, 0.621702640000000 ] mass: 78.960000 - symbol: Se # 15 coordinates: [ 0.494767090000000, 0.074403970000000, 0.121702640000000 ] mass: 78.960000 - symbol: Se # 16 coordinates: [ 0.994767090000000, 0.425596030000000, 0.878297360000000 ] mass: 78.960000 - symbol: Se # 17 coordinates: [ 0.381728190000000, 0.814802110000000, 0.372504100000000 ] mass: 78.960000 - symbol: Se # 18 coordinates: [ 0.881728190000000, 0.685197890000000, 0.627495900000000 ] mass: 78.960000 - symbol: Se # 19 coordinates: [ 0.618271810000000, 0.314802110000000, 0.127495900000000 ] mass: 78.960000 - symbol: Se # 20 coordinates: [ 0.118271810000000, 0.185197890000000, 0.872504100000000 ] mass: 78.960000 - symbol: Se # 21 coordinates: [ 0.859664220000000, 0.674574840000000, 0.881058020000000 ] mass: 78.960000 - symbol: Se # 22 coordinates: [ 0.359664220000000, 0.825425160000000, 0.118941980000000 ] mass: 78.960000 - symbol: Se # 23 coordinates: [ 0.140335780000000, 0.174574840000000, 0.618941980000000 ] mass: 78.960000 - symbol: Se # 24 coordinates: [ 0.640335780000000, 0.325425160000000, 0.381058020000000 ] mass: 78.960000 - symbol: Se # 25 coordinates: [ 0.489533430000000, 0.574616790000000, 0.631702400000000 ] mass: 78.960000 - symbol: Se # 26 coordinates: [ 0.989533430000000, 0.925383210000000, 0.368297600000000 ] mass: 78.960000 - symbol: Se # 27 coordinates: [ 0.510466570000000, 0.074616790000000, 0.868297600000000 ] mass: 78.960000 - symbol: Se # 28 coordinates: [ 0.010466570000000, 0.425383210000000, 0.131702400000000 ] mass: 78.960000 - symbol: Se # 29 coordinates: [ 0.620658300000000, 0.740603350000000, 0.742189710000000 ] mass: 78.960000 - symbol: Se # 30 coordinates: [ 0.120658300000000, 0.759396650000000, 0.257810290000000 ] mass: 78.960000 - symbol: Se # 31 coordinates: [ 0.379341700000000, 0.240603350000000, 0.757810290000000 ] mass: 78.960000 - symbol: Se # 32 coordinates: [ 0.879341700000000, 0.259396650000000, 0.242189710000000 ] mass: 78.960000 - symbol: Se # 33 coordinates: [ 0.189743780000000, 0.602037590000000, 0.629815910000000 ] mass: 78.960000 - symbol: Se # 34 coordinates: [ 0.689743780000000, 0.897962410000000, 0.370184090000000 ] mass: 78.960000 - symbol: Se # 35 coordinates: [ 0.810256220000000, 0.102037590000000, 0.870184090000000 ] mass: 78.960000 - symbol: Se # 36 coordinates: [ 0.310256220000000, 0.397962410000000, 0.129815910000000 ] mass: 78.960000 - symbol: Se # 37 coordinates: [ 0.506744620000000, 0.574944820000000, 0.883876760000000 ] mass: 78.960000 - symbol: Se # 38 coordinates: [ 0.006744620000000, 0.925055180000000, 0.116123240000000 ] mass: 78.960000 - symbol: Se # 39 coordinates: [ 0.493255380000000, 0.074944820000000, 0.616123240000000 ] mass: 78.960000 - symbol: Se # 40 coordinates: [ 0.993255380000000, 0.425055180000000, 0.383876760000000 ] mass: 78.960000 - symbol: Se # 41 coordinates: [ 0.239820290000000, 0.977482990000000, 0.262436520000000 ] mass: 78.960000 - symbol: Se # 42 coordinates: [ 0.739820290000000, 0.522517010000000, 0.737563480000000 ] mass: 78.960000 - symbol: Se # 43 coordinates: [ 0.760179710000000, 0.477482990000000, 0.237563480000000 ] mass: 78.960000 - symbol: Se # 44 coordinates: [ 0.260179710000000, 0.022517010000000, 0.762436520000000 ] mass: 78.960000 - symbol: Se # 45 coordinates: [ 0.621098070000000, 0.740279910000000, 0.519810050000000 ] mass: 78.960000 - symbol: Se # 46 coordinates: [ 0.121098070000000, 0.759720090000000, 0.480189950000000 ] mass: 78.960000 - symbol: Se # 47 coordinates: [ 0.378901930000000, 0.240279910000000, 0.980189950000000 ] mass: 78.960000 - symbol: Se # 48 coordinates: [ 0.878901930000000, 0.259720090000000, 0.019810050000000 ] mass: 78.960000 - symbol: Se # 49 coordinates: [ 0.187217950000000, 0.606547240000000, 0.887207800000000 ] mass: 78.960000 - symbol: Se # 50 coordinates: [ 0.687217950000000, 0.893452760000000, 0.112792200000000 ] mass: 78.960000 - symbol: Se # 51 coordinates: [ 0.812782050000000, 0.106547240000000, 0.612792200000000 ] mass: 78.960000 - symbol: Se # 52 coordinates: [ 0.312782050000000, 0.393452760000000, 0.387207800000000 ] mass: 78.960000 - symbol: Se # 53 coordinates: [ 0.189345220000000, 0.608012230000000, 0.381444090000000 ] mass: 78.960000 - symbol: Se # 54 coordinates: [ 0.689345220000000, 0.891987770000000, 0.618555910000000 ] mass: 78.960000 - symbol: Se # 55 coordinates: [ 0.810654780000000, 0.108012230000000, 0.118555910000000 ] mass: 78.960000 - symbol: Se # 56 coordinates: [ 0.310654780000000, 0.391987770000000, 0.881444090000000 ] mass: 78.960000 - symbol: Se # 57 coordinates: [ 0.240658400000000, 0.972968550000000, 0.483958320000000 ] mass: 78.960000 - symbol: Se # 58 coordinates: [ 0.740658400000000, 0.527031450000000, 0.516041680000000 ] mass: 78.960000 - symbol: Se # 59 coordinates: [ 0.759341600000000, 0.472968550000000, 0.016041680000000 ] mass: 78.960000 - symbol: Se # 60 coordinates: [ 0.259341600000000, 0.027031450000000, 0.983958320000000 ] mass: 78.960000 - symbol: Se # 61 coordinates: [ 0.812249760000000, 0.110622270000000, 0.374055920000000 ] mass: 78.960000 - symbol: Se # 62 coordinates: [ 0.312249760000000, 0.389377730000000, 0.625944080000000 ] mass: 78.960000 - symbol: Se # 63 coordinates: [ 0.187750240000000, 0.610622270000000, 0.125944080000000 ] mass: 78.960000 - symbol: Se # 64 coordinates: [ 0.687750240000000, 0.889377730000000, 0.874055920000000 ] mass: 78.960000 - symbol: Se # 65 coordinates: [ 0.249782250000000, 0.495833030000000, 0.550193380000000 ] mass: 78.960000 - symbol: Se # 66 coordinates: [ 0.749782250000000, 0.004166970000000, 0.449806620000000 ] mass: 78.960000 - symbol: Se # 67 coordinates: [ 0.750217750000000, 0.995833030000000, 0.949806620000000 ] mass: 78.960000 - symbol: Se # 68 coordinates: [ 0.250217750000000, 0.504166970000000, 0.050193380000000 ] mass: 78.960000 - symbol: Se # 69 coordinates: [ 0.250155600000000, 0.497526700000000, 0.803145280000000 ] mass: 78.960000 - symbol: Se # 70 coordinates: [ 0.750155600000000, 0.002473300000000, 0.196854720000000 ] mass: 78.960000 - symbol: Se # 71 coordinates: [ 0.749844400000000, 0.997526700000000, 0.696854720000000 ] mass: 78.960000 - symbol: Se # 72 coordinates: [ 0.249844400000000, 0.502473300000000, 0.303145280000000 ] mass: 78.960000 - symbol: Se # 73 coordinates: [ 0.113244080000000, 0.734661990000000, 0.973489640000000 ] mass: 78.960000 - symbol: Se # 74 coordinates: [ 0.613244080000000, 0.765338010000000, 0.026510360000000 ] mass: 78.960000 - symbol: Se # 75 coordinates: [ 0.886755920000000, 0.234661990000000, 0.526510360000000 ] mass: 78.960000 - symbol: Se # 76 coordinates: [ 0.386755920000000, 0.265338010000000, 0.473489640000000 ] mass: 78.960000 - symbol: Se # 77 coordinates: [ 0.111955470000000, 0.749410170000000, 0.733382360000000 ] mass: 78.960000 - symbol: Se # 78 coordinates: [ 0.611955470000000, 0.750589830000000, 0.266617640000000 ] mass: 78.960000 - symbol: Se # 79 coordinates: [ 0.888044530000000, 0.249410170000000, 0.766617640000000 ] mass: 78.960000 - symbol: Se # 80 coordinates: [ 0.388044530000000, 0.250589830000000, 0.233382360000000 ] mass: 78.960000 - symbol: Sn # 81 coordinates: [ 0.185942720000000, 0.871577000000000, 0.372664650000000 ] mass: 118.710000 - symbol: Sn # 82 coordinates: [ 0.685942720000000, 0.628423000000000, 0.627335350000000 ] mass: 118.710000 - symbol: Sn # 83 coordinates: [ 0.814057280000000, 0.371577000000000, 0.127335350000000 ] mass: 118.710000 - symbol: Sn # 84 coordinates: [ 0.314057280000000, 0.128423000000000, 0.872664650000000 ] mass: 118.710000 - symbol: Sn # 85 coordinates: [ 0.180877810000000, 0.864807310000000, 0.576788230000000 ] mass: 118.710000 - symbol: Sn # 86 coordinates: [ 0.680877810000000, 0.635192690000000, 0.423211770000000 ] mass: 118.710000 - symbol: Sn # 87 coordinates: [ 0.819122190000000, 0.364807310000000, 0.923211770000000 ] mass: 118.710000 - symbol: Sn # 88 coordinates: [ 0.319122190000000, 0.135192690000000, 0.076788230000000 ] mass: 118.710000 - symbol: Sn # 89 coordinates: [ 0.679669480000000, 0.629476330000000, 0.829170650000000 ] mass: 118.710000 - symbol: Sn # 90 coordinates: [ 0.179669480000000, 0.870523670000000, 0.170829350000000 ] mass: 118.710000 - symbol: Sn # 91 coordinates: [ 0.320330520000000, 0.129476330000000, 0.670829350000000 ] mass: 118.710000 - symbol: Sn # 92 coordinates: [ 0.820330520000000, 0.370523670000000, 0.329170650000000 ] mass: 118.710000 - symbol: Sn # 93 coordinates: [ 0.152741980000000, 0.816301580000000, 0.857493160000000 ] mass: 118.710000 - symbol: Sn # 94 coordinates: [ 0.652741980000000, 0.683698420000000, 0.142506840000000 ] mass: 118.710000 - symbol: Sn # 95 coordinates: [ 0.847258020000000, 0.316301580000000, 0.642506840000000 ] mass: 118.710000 - symbol: Sn # 96 coordinates: [ 0.347258020000000, 0.183698420000000, 0.357493160000000 ] mass: 118.710000 - symbol: Ba # 97 coordinates: [ 0.364269060000000, 0.676694430000000, 0.503604000000000 ] mass: 137.327000 - symbol: Ba # 98 coordinates: [ 0.864269060000000, 0.823305570000000, 0.496396000000000 ] mass: 137.327000 - symbol: Ba # 99 coordinates: [ 0.635730940000000, 0.176694430000000, 0.996396000000000 ] mass: 137.327000 - symbol: Ba # 100 coordinates: [ 0.135730940000000, 0.323305570000000, 0.003604000000000 ] mass: 137.327000 - symbol: Ba # 101 coordinates: [ 0.359937600000000, 0.676818830000000, 0.754687040000000 ] mass: 137.327000 - symbol: Ba # 102 coordinates: [ 0.859937600000000, 0.823181170000000, 0.245312960000000 ] mass: 137.327000 - symbol: Ba # 103 coordinates: [ 0.640062400000000, 0.176818830000000, 0.745312960000000 ] mass: 137.327000 - symbol: Ba # 104 coordinates: [ 0.140062400000000, 0.323181170000000, 0.254687040000000 ] mass: 137.327000 - symbol: Ba # 105 coordinates: [ 0.496344380000000, 0.927621320000000, 0.243802150000000 ] mass: 137.327000 - symbol: Ba # 106 coordinates: [ 0.996344380000000, 0.572378680000000, 0.756197850000000 ] mass: 137.327000 - symbol: Ba # 107 coordinates: [ 0.503655620000000, 0.427621320000000, 0.256197850000000 ] mass: 137.327000 - symbol: Ba # 108 coordinates: [ 0.003655620000000, 0.072378680000000, 0.743802150000000 ] mass: 137.327000 - symbol: Ba # 109 coordinates: [ 0.489290620000000, 0.934688060000000, 0.994400760000000 ] mass: 137.327000 - symbol: Ba # 110 coordinates: [ 0.989290620000000, 0.565311940000000, 0.005599240000000 ] mass: 137.327000 - symbol: Ba # 111 coordinates: [ 0.510709380000000, 0.434688060000000, 0.505599240000000 ] mass: 137.327000 - symbol: Ba # 112 coordinates: [ 0.010709380000000, 0.065311940000000, 0.494400760000000 ] mass: 137.327000 - symbol: Ba # 113 coordinates: [ 0.365143600000000, 0.675888540000000, 0.252605400000000 ] mass: 137.327000 - symbol: Ba # 114 coordinates: [ 0.865143600000000, 0.824111460000000, 0.747394600000000 ] mass: 137.327000 - symbol: Ba # 115 coordinates: [ 0.634856400000000, 0.175888540000000, 0.247394600000000 ] mass: 137.327000 - symbol: Ba # 116 coordinates: [ 0.134856400000000, 0.324111460000000, 0.752605400000000 ] mass: 137.327000 - symbol: Ba # 117 coordinates: [ 0.867864460000000, 0.818516030000000, 0.996434790000000 ] mass: 137.327000 - symbol: Ba # 118 coordinates: [ 0.367864460000000, 0.681483970000000, 0.003565210000000 ] mass: 137.327000 - symbol: Ba # 119 coordinates: [ 0.132135540000000, 0.318516030000000, 0.503565210000000 ] mass: 137.327000 - symbol: Ba # 120 coordinates: [ 0.632135540000000, 0.181483970000000, 0.496434790000000 ] mass: 137.327000 - symbol: Ba # 121 coordinates: [ 0.002744980000000, 0.068013580000000, 0.246044510000000 ] mass: 137.327000 - symbol: Ba # 122 coordinates: [ 0.502744980000000, 0.431986420000000, 0.753955490000000 ] mass: 137.327000 - symbol: Ba # 123 coordinates: [ 0.997255020000000, 0.568013580000000, 0.253955490000000 ] mass: 137.327000 - symbol: Ba # 124 coordinates: [ 0.497255020000000, 0.931986420000000, 0.746044510000000 ] mass: 137.327000 - symbol: Ba # 125 coordinates: [ 0.004671990000000, 0.071077810000000, 0.994106490000000 ] mass: 137.327000 - symbol: Ba # 126 coordinates: [ 0.504671990000000, 0.428922190000000, 0.005893510000000 ] mass: 137.327000 - symbol: Ba # 127 coordinates: [ 0.995328010000000, 0.571077810000000, 0.505893510000000 ] mass: 137.327000 - symbol: Ba # 128 coordinates: [ 0.495328010000000, 0.928922190000000, 0.494106490000000 ] mass: 137.327000 reciprocal_lattice: # without 2pi - [ 0.080987140791326, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.058409056684039, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.055559567110633 ] # c*unit_cell: lattice: - [ 12.347639270000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 17.120632600000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 17.998700350000000 ] # c points: - symbol: Se # 1 coordinates: [ 0.359482090000000, 0.826278770000000, 0.870140050000000 ] mass: 78.960000 reduced_to: 1 - symbol: Se # 2 coordinates: [ 0.859482090000000, 0.673721230000000, 0.129859950000000 ] mass: 78.960000 reduced_to: 2 - symbol: Se # 3 coordinates: [ 0.640517910000000, 0.326278770000000, 0.629859950000000 ] mass: 78.960000 reduced_to: 3 - symbol: Se # 4 coordinates: [ 0.140517910000000, 0.173721230000000, 0.370140050000000 ] mass: 78.960000 reduced_to: 4 - symbol: Se # 5 coordinates: [ 0.365563110000000, 0.822825490000000, 0.625064790000000 ] mass: 78.960000 reduced_to: 5 - symbol: Se # 6 coordinates: [ 0.865563110000000, 0.677174510000000, 0.374935210000000 ] mass: 78.960000 reduced_to: 6 - symbol: Se # 7 coordinates: [ 0.634436890000000, 0.322825490000000, 0.874935210000000 ] mass: 78.960000 reduced_to: 7 - symbol: Se # 8 coordinates: [ 0.134436890000000, 0.177174510000000, 0.125064790000000 ] mass: 78.960000 reduced_to: 8 - symbol: Se # 9 coordinates: [ 0.012875990000000, 0.925401140000000, 0.868486770000000 ] mass: 78.960000 reduced_to: 9 - symbol: Se # 10 coordinates: [ 0.512875990000000, 0.574598860000000, 0.131513230000000 ] mass: 78.960000 reduced_to: 10 - symbol: Se # 11 coordinates: [ 0.987124010000000, 0.425401140000000, 0.631513230000000 ] mass: 78.960000 reduced_to: 11 - symbol: Se # 12 coordinates: [ 0.487124010000000, 0.074598860000000, 0.368486770000000 ] mass: 78.960000 reduced_to: 12 - symbol: Se # 13 coordinates: [ 0.505232910000000, 0.574403970000000, 0.378297360000000 ] mass: 78.960000 reduced_to: 13 - symbol: Se # 14 coordinates: [ 0.005232910000000, 0.925596030000000, 0.621702640000000 ] mass: 78.960000 reduced_to: 14 - symbol: Se # 15 coordinates: [ 0.494767090000000, 0.074403970000000, 0.121702640000000 ] mass: 78.960000 reduced_to: 15 - symbol: Se # 16 coordinates: [ 0.994767090000000, 0.425596030000000, 0.878297360000000 ] mass: 78.960000 reduced_to: 16 - symbol: Se # 17 coordinates: [ 0.381728190000000, 0.814802110000000, 0.372504100000000 ] mass: 78.960000 reduced_to: 17 - symbol: Se # 18 coordinates: [ 0.881728190000000, 0.685197890000000, 0.627495900000000 ] mass: 78.960000 reduced_to: 18 - symbol: Se # 19 coordinates: [ 0.618271810000000, 0.314802110000000, 0.127495900000000 ] mass: 78.960000 reduced_to: 19 - symbol: Se # 20 coordinates: [ 0.118271810000000, 0.185197890000000, 0.872504100000000 ] mass: 78.960000 reduced_to: 20 - symbol: Se # 21 coordinates: [ 0.859664220000000, 0.674574840000000, 0.881058020000000 ] mass: 78.960000 reduced_to: 21 - symbol: Se # 22 coordinates: [ 0.359664220000000, 0.825425160000000, 0.118941980000000 ] mass: 78.960000 reduced_to: 22 - symbol: Se # 23 coordinates: [ 0.140335780000000, 0.174574840000000, 0.618941980000000 ] mass: 78.960000 reduced_to: 23 - symbol: Se # 24 coordinates: [ 0.640335780000000, 0.325425160000000, 0.381058020000000 ] mass: 78.960000 reduced_to: 24 - symbol: Se # 25 coordinates: [ 0.489533430000000, 0.574616790000000, 0.631702400000000 ] mass: 78.960000 reduced_to: 25 - symbol: Se # 26 coordinates: [ 0.989533430000000, 0.925383210000000, 0.368297600000000 ] mass: 78.960000 reduced_to: 26 - symbol: Se # 27 coordinates: [ 0.510466570000000, 0.074616790000000, 0.868297600000000 ] mass: 78.960000 reduced_to: 27 - symbol: Se # 28 coordinates: [ 0.010466570000000, 0.425383210000000, 0.131702400000000 ] mass: 78.960000 reduced_to: 28 - symbol: Se # 29 coordinates: [ 0.620658300000000, 0.740603350000000, 0.742189710000000 ] mass: 78.960000 reduced_to: 29 - symbol: Se # 30 coordinates: [ 0.120658300000000, 0.759396650000000, 0.257810290000000 ] mass: 78.960000 reduced_to: 30 - symbol: Se # 31 coordinates: [ 0.379341700000000, 0.240603350000000, 0.757810290000000 ] mass: 78.960000 reduced_to: 31 - symbol: Se # 32 coordinates: [ 0.879341700000000, 0.259396650000000, 0.242189710000000 ] mass: 78.960000 reduced_to: 32 - symbol: Se # 33 coordinates: [ 0.189743780000000, 0.602037590000000, 0.629815910000000 ] mass: 78.960000 reduced_to: 33 - symbol: Se # 34 coordinates: [ 0.689743780000000, 0.897962410000000, 0.370184090000000 ] mass: 78.960000 reduced_to: 34 - symbol: Se # 35 coordinates: [ 0.810256220000000, 0.102037590000000, 0.870184090000000 ] mass: 78.960000 reduced_to: 35 - symbol: Se # 36 coordinates: [ 0.310256220000000, 0.397962410000000, 0.129815910000000 ] mass: 78.960000 reduced_to: 36 - symbol: Se # 37 coordinates: [ 0.506744620000000, 0.574944820000000, 0.883876760000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 38 coordinates: [ 0.006744620000000, 0.925055180000000, 0.116123240000000 ] mass: 78.960000 reduced_to: 38 - symbol: Se # 39 coordinates: [ 0.493255380000000, 0.074944820000000, 0.616123240000000 ] mass: 78.960000 reduced_to: 39 - symbol: Se # 40 coordinates: [ 0.993255380000000, 0.425055180000000, 0.383876760000000 ] mass: 78.960000 reduced_to: 40 - symbol: Se # 41 coordinates: [ 0.239820290000000, 0.977482990000000, 0.262436520000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 42 coordinates: [ 0.739820290000000, 0.522517010000000, 0.737563480000000 ] mass: 78.960000 reduced_to: 42 - symbol: Se # 43 coordinates: [ 0.760179710000000, 0.477482990000000, 0.237563480000000 ] mass: 78.960000 reduced_to: 43 - symbol: Se # 44 coordinates: [ 0.260179710000000, 0.022517010000000, 0.762436520000000 ] mass: 78.960000 reduced_to: 44 - symbol: Se # 45 coordinates: [ 0.621098070000000, 0.740279910000000, 0.519810050000000 ] mass: 78.960000 reduced_to: 45 - symbol: Se # 46 coordinates: [ 0.121098070000000, 0.759720090000000, 0.480189950000000 ] mass: 78.960000 reduced_to: 46 - symbol: Se # 47 coordinates: [ 0.378901930000000, 0.240279910000000, 0.980189950000000 ] mass: 78.960000 reduced_to: 47 - symbol: Se # 48 coordinates: [ 0.878901930000000, 0.259720090000000, 0.019810050000000 ] mass: 78.960000 reduced_to: 48 - symbol: Se # 49 coordinates: [ 0.187217950000000, 0.606547240000000, 0.887207800000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 50 coordinates: [ 0.687217950000000, 0.893452760000000, 0.112792200000000 ] mass: 78.960000 reduced_to: 50 - symbol: Se # 51 coordinates: [ 0.812782050000000, 0.106547240000000, 0.612792200000000 ] mass: 78.960000 reduced_to: 51 - symbol: Se # 52 coordinates: [ 0.312782050000000, 0.393452760000000, 0.387207800000000 ] mass: 78.960000 reduced_to: 52 - symbol: Se # 53 coordinates: [ 0.189345220000000, 0.608012230000000, 0.381444090000000 ] mass: 78.960000 reduced_to: 53 - symbol: Se # 54 coordinates: [ 0.689345220000000, 0.891987770000000, 0.618555910000000 ] mass: 78.960000 reduced_to: 54 - symbol: Se # 55 coordinates: [ 0.810654780000000, 0.108012230000000, 0.118555910000000 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 56 coordinates: [ 0.310654780000000, 0.391987770000000, 0.881444090000000 ] mass: 78.960000 reduced_to: 56 - symbol: Se # 57 coordinates: [ 0.240658400000000, 0.972968550000000, 0.483958320000000 ] mass: 78.960000 reduced_to: 57 - symbol: Se # 58 coordinates: [ 0.740658400000000, 0.527031450000000, 0.516041680000000 ] mass: 78.960000 reduced_to: 58 - symbol: Se # 59 coordinates: [ 0.759341600000000, 0.472968550000000, 0.016041680000000 ] mass: 78.960000 reduced_to: 59 - symbol: Se # 60 coordinates: [ 0.259341600000000, 0.027031450000000, 0.983958320000000 ] mass: 78.960000 reduced_to: 60 - symbol: Se # 61 coordinates: [ 0.812249760000000, 0.110622270000000, 0.374055920000000 ] mass: 78.960000 reduced_to: 61 - symbol: Se # 62 coordinates: [ 0.312249760000000, 0.389377730000000, 0.625944080000000 ] mass: 78.960000 reduced_to: 62 - symbol: Se # 63 coordinates: [ 0.187750240000000, 0.610622270000000, 0.125944080000000 ] mass: 78.960000 reduced_to: 63 - symbol: Se # 64 coordinates: [ 0.687750240000000, 0.889377730000000, 0.874055920000000 ] mass: 78.960000 reduced_to: 64 - symbol: Se # 65 coordinates: [ 0.249782250000000, 0.495833030000000, 0.550193380000000 ] mass: 78.960000 reduced_to: 65 - symbol: Se # 66 coordinates: [ 0.749782250000000, 0.004166970000000, 0.449806620000000 ] mass: 78.960000 reduced_to: 66 - symbol: Se # 67 coordinates: [ 0.750217750000000, 0.995833030000000, 0.949806620000000 ] mass: 78.960000 reduced_to: 67 - symbol: Se # 68 coordinates: [ 0.250217750000000, 0.504166970000000, 0.050193380000000 ] mass: 78.960000 reduced_to: 68 - symbol: Se # 69 coordinates: [ 0.250155600000000, 0.497526700000000, 0.803145280000000 ] mass: 78.960000 reduced_to: 69 - symbol: Se # 70 coordinates: [ 0.750155600000000, 0.002473300000000, 0.196854720000000 ] mass: 78.960000 reduced_to: 70 - symbol: Se # 71 coordinates: [ 0.749844400000000, 0.997526700000000, 0.696854720000000 ] mass: 78.960000 reduced_to: 71 - symbol: Se # 72 coordinates: [ 0.249844400000000, 0.502473300000000, 0.303145280000000 ] mass: 78.960000 reduced_to: 72 - symbol: Se # 73 coordinates: [ 0.113244080000000, 0.734661990000000, 0.973489640000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 74 coordinates: [ 0.613244080000000, 0.765338010000000, 0.026510360000000 ] mass: 78.960000 reduced_to: 74 - symbol: Se # 75 coordinates: [ 0.886755920000000, 0.234661990000000, 0.526510360000000 ] mass: 78.960000 reduced_to: 75 - symbol: Se # 76 coordinates: [ 0.386755920000000, 0.265338010000000, 0.473489640000000 ] mass: 78.960000 reduced_to: 76 - symbol: Se # 77 coordinates: [ 0.111955470000000, 0.749410170000000, 0.733382360000000 ] mass: 78.960000 reduced_to: 77 - symbol: Se # 78 coordinates: [ 0.611955470000000, 0.750589830000000, 0.266617640000000 ] mass: 78.960000 reduced_to: 78 - symbol: Se # 79 coordinates: [ 0.888044530000000, 0.249410170000000, 0.766617640000000 ] mass: 78.960000 reduced_to: 79 - symbol: Se # 80 coordinates: [ 0.388044530000000, 0.250589830000000, 0.233382360000000 ] mass: 78.960000 reduced_to: 80 - symbol: Sn # 81 coordinates: [ 0.185942720000000, 0.871577000000000, 0.372664650000000 ] mass: 118.710000 reduced_to: 81 - symbol: Sn # 82 coordinates: [ 0.685942720000000, 0.628423000000000, 0.627335350000000 ] mass: 118.710000 reduced_to: 82 - symbol: Sn # 83 coordinates: [ 0.814057280000000, 0.371577000000000, 0.127335350000000 ] mass: 118.710000 reduced_to: 83 - symbol: Sn # 84 coordinates: [ 0.314057280000000, 0.128423000000000, 0.872664650000000 ] mass: 118.710000 reduced_to: 84 - symbol: Sn # 85 coordinates: [ 0.180877810000000, 0.864807310000000, 0.576788230000000 ] mass: 118.710000 reduced_to: 85 - symbol: Sn # 86 coordinates: [ 0.680877810000000, 0.635192690000000, 0.423211770000000 ] mass: 118.710000 reduced_to: 86 - symbol: Sn # 87 coordinates: [ 0.819122190000000, 0.364807310000000, 0.923211770000000 ] mass: 118.710000 reduced_to: 87 - symbol: Sn # 88 coordinates: [ 0.319122190000000, 0.135192690000000, 0.076788230000000 ] mass: 118.710000 reduced_to: 88 - symbol: Sn # 89 coordinates: [ 0.679669480000000, 0.629476330000000, 0.829170650000000 ] mass: 118.710000 reduced_to: 89 - symbol: Sn # 90 coordinates: [ 0.179669480000000, 0.870523670000000, 0.170829350000000 ] mass: 118.710000 reduced_to: 90 - symbol: Sn # 91 coordinates: [ 0.320330520000000, 0.129476330000000, 0.670829350000000 ] mass: 118.710000 reduced_to: 91 - symbol: Sn # 92 coordinates: [ 0.820330520000000, 0.370523670000000, 0.329170650000000 ] mass: 118.710000 reduced_to: 92 - symbol: Sn # 93 coordinates: [ 0.152741980000000, 0.816301580000000, 0.857493160000000 ] mass: 118.710000 reduced_to: 93 - symbol: Sn # 94 coordinates: [ 0.652741980000000, 0.683698420000000, 0.142506840000000 ] mass: 118.710000 reduced_to: 94 - symbol: Sn # 95 coordinates: [ 0.847258020000000, 0.316301580000000, 0.642506840000000 ] mass: 118.710000 reduced_to: 95 - symbol: Sn # 96 coordinates: [ 0.347258020000000, 0.183698420000000, 0.357493160000000 ] mass: 118.710000 reduced_to: 96 - symbol: Ba # 97 coordinates: [ 0.364269060000000, 0.676694430000000, 0.503604000000000 ] mass: 137.327000 reduced_to: 97 - symbol: Ba # 98 coordinates: [ 0.864269060000000, 0.823305570000000, 0.496396000000000 ] mass: 137.327000 reduced_to: 98 - symbol: Ba # 99 coordinates: [ 0.635730940000000, 0.176694430000000, 0.996396000000000 ] mass: 137.327000 reduced_to: 99 - symbol: Ba # 100 coordinates: [ 0.135730940000000, 0.323305570000000, 0.003604000000000 ] mass: 137.327000 reduced_to: 100 - symbol: Ba # 101 coordinates: [ 0.359937600000000, 0.676818830000000, 0.754687040000000 ] mass: 137.327000 reduced_to: 101 - symbol: Ba # 102 coordinates: [ 0.859937600000000, 0.823181170000000, 0.245312960000000 ] mass: 137.327000 reduced_to: 102 - symbol: Ba # 103 coordinates: [ 0.640062400000000, 0.176818830000000, 0.745312960000000 ] mass: 137.327000 reduced_to: 103 - symbol: Ba # 104 coordinates: [ 0.140062400000000, 0.323181170000000, 0.254687040000000 ] mass: 137.327000 reduced_to: 104 - symbol: Ba # 105 coordinates: [ 0.496344380000000, 0.927621320000000, 0.243802150000000 ] mass: 137.327000 reduced_to: 105 - symbol: Ba # 106 coordinates: [ 0.996344380000000, 0.572378680000000, 0.756197850000000 ] mass: 137.327000 reduced_to: 106 - symbol: Ba # 107 coordinates: [ 0.503655620000000, 0.427621320000000, 0.256197850000000 ] mass: 137.327000 reduced_to: 107 - symbol: Ba # 108 coordinates: [ 0.003655620000000, 0.072378680000000, 0.743802150000000 ] mass: 137.327000 reduced_to: 108 - symbol: Ba # 109 coordinates: [ 0.489290620000000, 0.934688060000000, 0.994400760000000 ] mass: 137.327000 reduced_to: 109 - symbol: Ba # 110 coordinates: [ 0.989290620000000, 0.565311940000000, 0.005599240000000 ] mass: 137.327000 reduced_to: 110 - symbol: Ba # 111 coordinates: [ 0.510709380000000, 0.434688060000000, 0.505599240000000 ] mass: 137.327000 reduced_to: 111 - symbol: Ba # 112 coordinates: [ 0.010709380000000, 0.065311940000000, 0.494400760000000 ] mass: 137.327000 reduced_to: 112 - symbol: Ba # 113 coordinates: [ 0.365143600000000, 0.675888540000000, 0.252605400000000 ] mass: 137.327000 reduced_to: 113 - symbol: Ba # 114 coordinates: [ 0.865143600000000, 0.824111460000000, 0.747394600000000 ] mass: 137.327000 reduced_to: 114 - symbol: Ba # 115 coordinates: [ 0.634856400000000, 0.175888540000000, 0.247394600000000 ] mass: 137.327000 reduced_to: 115 - symbol: Ba # 116 coordinates: [ 0.134856400000000, 0.324111460000000, 0.752605400000000 ] mass: 137.327000 reduced_to: 116 - symbol: Ba # 117 coordinates: [ 0.867864460000000, 0.818516030000000, 0.996434790000000 ] mass: 137.327000 reduced_to: 117 - symbol: Ba # 118 coordinates: [ 0.367864460000000, 0.681483970000000, 0.003565210000000 ] mass: 137.327000 reduced_to: 118 - symbol: Ba # 119 coordinates: [ 0.132135540000000, 0.318516030000000, 0.503565210000000 ] mass: 137.327000 reduced_to: 119 - symbol: Ba # 120 coordinates: [ 0.632135540000000, 0.181483970000000, 0.496434790000000 ] mass: 137.327000 reduced_to: 120 - symbol: Ba # 121 coordinates: [ 0.002744980000000, 0.068013580000000, 0.246044510000000 ] mass: 137.327000 reduced_to: 121 - symbol: Ba # 122 coordinates: [ 0.502744980000000, 0.431986420000000, 0.753955490000000 ] mass: 137.327000 reduced_to: 122 - symbol: Ba # 123 coordinates: [ 0.997255020000000, 0.568013580000000, 0.253955490000000 ] mass: 137.327000 reduced_to: 123 - symbol: Ba # 124 coordinates: [ 0.497255020000000, 0.931986420000000, 0.746044510000000 ] mass: 137.327000 reduced_to: 124 - symbol: Ba # 125 coordinates: [ 0.004671990000000, 0.071077810000000, 0.994106490000000 ] mass: 137.327000 reduced_to: 125 - symbol: Ba # 126 coordinates: [ 0.504671990000000, 0.428922190000000, 0.005893510000000 ] mass: 137.327000 reduced_to: 126 - symbol: Ba # 127 coordinates: [ 0.995328010000000, 0.571077810000000, 0.505893510000000 ] mass: 137.327000 reduced_to: 127 - symbol: Ba # 128 coordinates: [ 0.495328010000000, 0.928922190000000, 0.494106490000000 ] mass: 137.327000 reduced_to: 128supercell: lattice: - [ 12.347639270000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 17.120632600000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 17.998700350000000 ] # c points: - symbol: Se # 1 coordinates: [ 0.359482090000000, 0.826278770000000, 0.870140050000000 ] mass: 78.960000 reduced_to: 1 - symbol: Se # 2 coordinates: [ 0.859482090000000, 0.673721230000000, 0.129859950000000 ] mass: 78.960000 reduced_to: 2 - symbol: Se # 3 coordinates: [ 0.640517910000000, 0.326278770000000, 0.629859950000000 ] mass: 78.960000 reduced_to: 3 - symbol: Se # 4 coordinates: [ 0.140517910000000, 0.173721230000000, 0.370140050000000 ] mass: 78.960000 reduced_to: 4 - symbol: Se # 5 coordinates: [ 0.365563110000000, 0.822825490000000, 0.625064790000000 ] mass: 78.960000 reduced_to: 5 - symbol: Se # 6 coordinates: [ 0.865563110000000, 0.677174510000000, 0.374935210000000 ] mass: 78.960000 reduced_to: 6 - symbol: Se # 7 coordinates: [ 0.634436890000000, 0.322825490000000, 0.874935210000000 ] mass: 78.960000 reduced_to: 7 - symbol: Se # 8 coordinates: [ 0.134436890000000, 0.177174510000000, 0.125064790000000 ] mass: 78.960000 reduced_to: 8 - symbol: Se # 9 coordinates: [ 0.012875990000000, 0.925401140000000, 0.868486770000000 ] mass: 78.960000 reduced_to: 9 - symbol: Se # 10 coordinates: [ 0.512875990000000, 0.574598860000000, 0.131513230000000 ] mass: 78.960000 reduced_to: 10 - symbol: Se # 11 coordinates: [ 0.987124010000000, 0.425401140000000, 0.631513230000000 ] mass: 78.960000 reduced_to: 11 - symbol: Se # 12 coordinates: [ 0.487124010000000, 0.074598860000000, 0.368486770000000 ] mass: 78.960000 reduced_to: 12 - symbol: Se # 13 coordinates: [ 0.505232910000000, 0.574403970000000, 0.378297360000000 ] mass: 78.960000 reduced_to: 13 - symbol: Se # 14 coordinates: [ 0.005232910000000, 0.925596030000000, 0.621702640000000 ] mass: 78.960000 reduced_to: 14 - symbol: Se # 15 coordinates: [ 0.494767090000000, 0.074403970000000, 0.121702640000000 ] mass: 78.960000 reduced_to: 15 - symbol: Se # 16 coordinates: [ 0.994767090000000, 0.425596030000000, 0.878297360000000 ] mass: 78.960000 reduced_to: 16 - symbol: Se # 17 coordinates: [ 0.381728190000000, 0.814802110000000, 0.372504100000000 ] mass: 78.960000 reduced_to: 17 - symbol: Se # 18 coordinates: [ 0.881728190000000, 0.685197890000000, 0.627495900000000 ] mass: 78.960000 reduced_to: 18 - symbol: Se # 19 coordinates: [ 0.618271810000000, 0.314802110000000, 0.127495900000000 ] mass: 78.960000 reduced_to: 19 - symbol: Se # 20 coordinates: [ 0.118271810000000, 0.185197890000000, 0.872504100000000 ] mass: 78.960000 reduced_to: 20 - symbol: Se # 21 coordinates: [ 0.859664220000000, 0.674574840000000, 0.881058020000000 ] mass: 78.960000 reduced_to: 21 - symbol: Se # 22 coordinates: [ 0.359664220000000, 0.825425160000000, 0.118941980000000 ] mass: 78.960000 reduced_to: 22 - symbol: Se # 23 coordinates: [ 0.140335780000000, 0.174574840000000, 0.618941980000000 ] mass: 78.960000 reduced_to: 23 - symbol: Se # 24 coordinates: [ 0.640335780000000, 0.325425160000000, 0.381058020000000 ] mass: 78.960000 reduced_to: 24 - symbol: Se # 25 coordinates: [ 0.489533430000000, 0.574616790000000, 0.631702400000000 ] mass: 78.960000 reduced_to: 25 - symbol: Se # 26 coordinates: [ 0.989533430000000, 0.925383210000000, 0.368297600000000 ] mass: 78.960000 reduced_to: 26 - symbol: Se # 27 coordinates: [ 0.510466570000000, 0.074616790000000, 0.868297600000000 ] mass: 78.960000 reduced_to: 27 - symbol: Se # 28 coordinates: [ 0.010466570000000, 0.425383210000000, 0.131702400000000 ] mass: 78.960000 reduced_to: 28 - symbol: Se # 29 coordinates: [ 0.620658300000000, 0.740603350000000, 0.742189710000000 ] mass: 78.960000 reduced_to: 29 - symbol: Se # 30 coordinates: [ 0.120658300000000, 0.759396650000000, 0.257810290000000 ] mass: 78.960000 reduced_to: 30 - symbol: Se # 31 coordinates: [ 0.379341700000000, 0.240603350000000, 0.757810290000000 ] mass: 78.960000 reduced_to: 31 - symbol: Se # 32 coordinates: [ 0.879341700000000, 0.259396650000000, 0.242189710000000 ] mass: 78.960000 reduced_to: 32 - symbol: Se # 33 coordinates: [ 0.189743780000000, 0.602037590000000, 0.629815910000000 ] mass: 78.960000 reduced_to: 33 - symbol: Se # 34 coordinates: [ 0.689743780000000, 0.897962410000000, 0.370184090000000 ] mass: 78.960000 reduced_to: 34 - symbol: Se # 35 coordinates: [ 0.810256220000000, 0.102037590000000, 0.870184090000000 ] mass: 78.960000 reduced_to: 35 - symbol: Se # 36 coordinates: [ 0.310256220000000, 0.397962410000000, 0.129815910000000 ] mass: 78.960000 reduced_to: 36 - symbol: Se # 37 coordinates: [ 0.506744620000000, 0.574944820000000, 0.883876760000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 38 coordinates: [ 0.006744620000000, 0.925055180000000, 0.116123240000000 ] mass: 78.960000 reduced_to: 38 - symbol: Se # 39 coordinates: [ 0.493255380000000, 0.074944820000000, 0.616123240000000 ] mass: 78.960000 reduced_to: 39 - symbol: Se # 40 coordinates: [ 0.993255380000000, 0.425055180000000, 0.383876760000000 ] mass: 78.960000 reduced_to: 40 - symbol: Se # 41 coordinates: [ 0.239820290000000, 0.977482990000000, 0.262436520000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 42 coordinates: [ 0.739820290000000, 0.522517010000000, 0.737563480000000 ] mass: 78.960000 reduced_to: 42 - symbol: Se # 43 coordinates: [ 0.760179710000000, 0.477482990000000, 0.237563480000000 ] mass: 78.960000 reduced_to: 43 - symbol: Se # 44 coordinates: [ 0.260179710000000, 0.022517010000000, 0.762436520000000 ] mass: 78.960000 reduced_to: 44 - symbol: Se # 45 coordinates: [ 0.621098070000000, 0.740279910000000, 0.519810050000000 ] mass: 78.960000 reduced_to: 45 - symbol: Se # 46 coordinates: [ 0.121098070000000, 0.759720090000000, 0.480189950000000 ] mass: 78.960000 reduced_to: 46 - symbol: Se # 47 coordinates: [ 0.378901930000000, 0.240279910000000, 0.980189950000000 ] mass: 78.960000 reduced_to: 47 - symbol: Se # 48 coordinates: [ 0.878901930000000, 0.259720090000000, 0.019810050000000 ] mass: 78.960000 reduced_to: 48 - symbol: Se # 49 coordinates: [ 0.187217950000000, 0.606547240000000, 0.887207800000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 50 coordinates: [ 0.687217950000000, 0.893452760000000, 0.112792200000000 ] mass: 78.960000 reduced_to: 50 - symbol: Se # 51 coordinates: [ 0.812782050000000, 0.106547240000000, 0.612792200000000 ] mass: 78.960000 reduced_to: 51 - symbol: Se # 52 coordinates: [ 0.312782050000000, 0.393452760000000, 0.387207800000000 ] mass: 78.960000 reduced_to: 52 - symbol: Se # 53 coordinates: [ 0.189345220000000, 0.608012230000000, 0.381444090000000 ] mass: 78.960000 reduced_to: 53 - symbol: Se # 54 coordinates: [ 0.689345220000000, 0.891987770000000, 0.618555910000000 ] mass: 78.960000 reduced_to: 54 - symbol: Se # 55 coordinates: [ 0.810654780000000, 0.108012230000000, 0.118555910000000 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 56 coordinates: [ 0.310654780000000, 0.391987770000000, 0.881444090000000 ] mass: 78.960000 reduced_to: 56 - symbol: Se # 57 coordinates: [ 0.240658400000000, 0.972968550000000, 0.483958320000000 ] mass: 78.960000 reduced_to: 57 - symbol: Se # 58 coordinates: [ 0.740658400000000, 0.527031450000000, 0.516041680000000 ] mass: 78.960000 reduced_to: 58 - symbol: Se # 59 coordinates: [ 0.759341600000000, 0.472968550000000, 0.016041680000000 ] mass: 78.960000 reduced_to: 59 - symbol: Se # 60 coordinates: [ 0.259341600000000, 0.027031450000000, 0.983958320000000 ] mass: 78.960000 reduced_to: 60 - symbol: Se # 61 coordinates: [ 0.812249760000000, 0.110622270000000, 0.374055920000000 ] mass: 78.960000 reduced_to: 61 - symbol: Se # 62 coordinates: [ 0.312249760000000, 0.389377730000000, 0.625944080000000 ] mass: 78.960000 reduced_to: 62 - symbol: Se # 63 coordinates: [ 0.187750240000000, 0.610622270000000, 0.125944080000000 ] mass: 78.960000 reduced_to: 63 - symbol: Se # 64 coordinates: [ 0.687750240000000, 0.889377730000000, 0.874055920000000 ] mass: 78.960000 reduced_to: 64 - symbol: Se # 65 coordinates: [ 0.249782250000000, 0.495833030000000, 0.550193380000000 ] mass: 78.960000 reduced_to: 65 - symbol: Se # 66 coordinates: [ 0.749782250000000, 0.004166970000000, 0.449806620000000 ] mass: 78.960000 reduced_to: 66 - symbol: Se # 67 coordinates: [ 0.750217750000000, 0.995833030000000, 0.949806620000000 ] mass: 78.960000 reduced_to: 67 - symbol: Se # 68 coordinates: [ 0.250217750000000, 0.504166970000000, 0.050193380000000 ] mass: 78.960000 reduced_to: 68 - symbol: Se # 69 coordinates: [ 0.250155600000000, 0.497526700000000, 0.803145280000000 ] mass: 78.960000 reduced_to: 69 - symbol: Se # 70 coordinates: [ 0.750155600000000, 0.002473300000000, 0.196854720000000 ] mass: 78.960000 reduced_to: 70 - symbol: Se # 71 coordinates: [ 0.749844400000000, 0.997526700000000, 0.696854720000000 ] mass: 78.960000 reduced_to: 71 - symbol: Se # 72 coordinates: [ 0.249844400000000, 0.502473300000000, 0.303145280000000 ] mass: 78.960000 reduced_to: 72 - symbol: Se # 73 coordinates: [ 0.113244080000000, 0.734661990000000, 0.973489640000000 ] mass: 78.960000 reduced_to: 73 - symbol: Se # 74 coordinates: [ 0.613244080000000, 0.765338010000000, 0.026510360000000 ] mass: 78.960000 reduced_to: 74 - symbol: Se # 75 coordinates: [ 0.886755920000000, 0.234661990000000, 0.526510360000000 ] mass: 78.960000 reduced_to: 75 - symbol: Se # 76 coordinates: [ 0.386755920000000, 0.265338010000000, 0.473489640000000 ] mass: 78.960000 reduced_to: 76 - symbol: Se # 77 coordinates: [ 0.111955470000000, 0.749410170000000, 0.733382360000000 ] mass: 78.960000 reduced_to: 77 - symbol: Se # 78 coordinates: [ 0.611955470000000, 0.750589830000000, 0.266617640000000 ] mass: 78.960000 reduced_to: 78 - symbol: Se # 79 coordinates: [ 0.888044530000000, 0.249410170000000, 0.766617640000000 ] mass: 78.960000 reduced_to: 79 - symbol: Se # 80 coordinates: [ 0.388044530000000, 0.250589830000000, 0.233382360000000 ] mass: 78.960000 reduced_to: 80 - symbol: Sn # 81 coordinates: [ 0.185942720000000, 0.871577000000000, 0.372664650000000 ] mass: 118.710000 reduced_to: 81 - symbol: Sn # 82 coordinates: [ 0.685942720000000, 0.628423000000000, 0.627335350000000 ] mass: 118.710000 reduced_to: 82 - symbol: Sn # 83 coordinates: [ 0.814057280000000, 0.371577000000000, 0.127335350000000 ] mass: 118.710000 reduced_to: 83 - symbol: Sn # 84 coordinates: [ 0.314057280000000, 0.128423000000000, 0.872664650000000 ] mass: 118.710000 reduced_to: 84 - symbol: Sn # 85 coordinates: [ 0.180877810000000, 0.864807310000000, 0.576788230000000 ] mass: 118.710000 reduced_to: 85 - symbol: Sn # 86 coordinates: [ 0.680877810000000, 0.635192690000000, 0.423211770000000 ] mass: 118.710000 reduced_to: 86 - symbol: Sn # 87 coordinates: [ 0.819122190000000, 0.364807310000000, 0.923211770000000 ] mass: 118.710000 reduced_to: 87 - symbol: Sn # 88 coordinates: [ 0.319122190000000, 0.135192690000000, 0.076788230000000 ] mass: 118.710000 reduced_to: 88 - symbol: Sn # 89 coordinates: [ 0.679669480000000, 0.629476330000000, 0.829170650000000 ] mass: 118.710000 reduced_to: 89 - symbol: Sn # 90 coordinates: [ 0.179669480000000, 0.870523670000000, 0.170829350000000 ] mass: 118.710000 reduced_to: 90 - symbol: Sn # 91 coordinates: [ 0.320330520000000, 0.129476330000000, 0.670829350000000 ] mass: 118.710000 reduced_to: 91 - symbol: Sn # 92 coordinates: [ 0.820330520000000, 0.370523670000000, 0.329170650000000 ] mass: 118.710000 reduced_to: 92 - symbol: Sn # 93 coordinates: [ 0.152741980000000, 0.816301580000000, 0.857493160000000 ] mass: 118.710000 reduced_to: 93 - symbol: Sn # 94 coordinates: [ 0.652741980000000, 0.683698420000000, 0.142506840000000 ] mass: 118.710000 reduced_to: 94 - symbol: Sn # 95 coordinates: [ 0.847258020000000, 0.316301580000000, 0.642506840000000 ] mass: 118.710000 reduced_to: 95 - symbol: Sn # 96 coordinates: [ 0.347258020000000, 0.183698420000000, 0.357493160000000 ] mass: 118.710000 reduced_to: 96 - symbol: Ba # 97 coordinates: [ 0.364269060000000, 0.676694430000000, 0.503604000000000 ] mass: 137.327000 reduced_to: 97 - symbol: Ba # 98 coordinates: [ 0.864269060000000, 0.823305570000000, 0.496396000000000 ] mass: 137.327000 reduced_to: 98 - symbol: Ba # 99 coordinates: [ 0.635730940000000, 0.176694430000000, 0.996396000000000 ] mass: 137.327000 reduced_to: 99 - symbol: Ba # 100 coordinates: [ 0.135730940000000, 0.323305570000000, 0.003604000000000 ] mass: 137.327000 reduced_to: 100 - symbol: Ba # 101 coordinates: [ 0.359937600000000, 0.676818830000000, 0.754687040000000 ] mass: 137.327000 reduced_to: 101 - symbol: Ba # 102 coordinates: [ 0.859937600000000, 0.823181170000000, 0.245312960000000 ] mass: 137.327000 reduced_to: 102 - symbol: Ba # 103 coordinates: [ 0.640062400000000, 0.176818830000000, 0.745312960000000 ] mass: 137.327000 reduced_to: 103 - symbol: Ba # 104 coordinates: [ 0.140062400000000, 0.323181170000000, 0.254687040000000 ] mass: 137.327000 reduced_to: 104 - symbol: Ba # 105 coordinates: [ 0.496344380000000, 0.927621320000000, 0.243802150000000 ] mass: 137.327000 reduced_to: 105 - symbol: Ba # 106 coordinates: [ 0.996344380000000, 0.572378680000000, 0.756197850000000 ] mass: 137.327000 reduced_to: 106 - symbol: Ba # 107 coordinates: [ 0.503655620000000, 0.427621320000000, 0.256197850000000 ] mass: 137.327000 reduced_to: 107 - symbol: Ba # 108 coordinates: [ 0.003655620000000, 0.072378680000000, 0.743802150000000 ] mass: 137.327000 reduced_to: 108 - symbol: Ba # 109 coordinates: [ 0.489290620000000, 0.934688060000000, 0.994400760000000 ] mass: 137.327000 reduced_to: 109 - symbol: Ba # 110 coordinates: [ 0.989290620000000, 0.565311940000000, 0.005599240000000 ] mass: 137.327000 reduced_to: 110 - symbol: Ba # 111 coordinates: [ 0.510709380000000, 0.434688060000000, 0.505599240000000 ] mass: 137.327000 reduced_to: 111 - symbol: Ba # 112 coordinates: [ 0.010709380000000, 0.065311940000000, 0.494400760000000 ] mass: 137.327000 reduced_to: 112 - symbol: Ba # 113 coordinates: [ 0.365143600000000, 0.675888540000000, 0.252605400000000 ] mass: 137.327000 reduced_to: 113 - symbol: Ba # 114 coordinates: [ 0.865143600000000, 0.824111460000000, 0.747394600000000 ] mass: 137.327000 reduced_to: 114 - symbol: Ba # 115 coordinates: [ 0.634856400000000, 0.175888540000000, 0.247394600000000 ] mass: 137.327000 reduced_to: 115 - symbol: Ba # 116 coordinates: [ 0.134856400000000, 0.324111460000000, 0.752605400000000 ] mass: 137.327000 reduced_to: 116 - symbol: Ba # 117 coordinates: [ 0.867864460000000, 0.818516030000000, 0.996434790000000 ] mass: 137.327000 reduced_to: 117 - symbol: Ba # 118 coordinates: [ 0.367864460000000, 0.681483970000000, 0.003565210000000 ] mass: 137.327000 reduced_to: 118 - symbol: Ba # 119 coordinates: [ 0.132135540000000, 0.318516030000000, 0.503565210000000 ] mass: 137.327000 reduced_to: 119 - symbol: Ba # 120 coordinates: [ 0.632135540000000, 0.181483970000000, 0.496434790000000 ] mass: 137.327000 reduced_to: 120 - symbol: Ba # 121 coordinates: [ 0.002744980000000, 0.068013580000000, 0.246044510000000 ] mass: 137.327000 reduced_to: 121 - symbol: Ba # 122 coordinates: [ 0.502744980000000, 0.431986420000000, 0.753955490000000 ] mass: 137.327000 reduced_to: 122 - symbol: Ba # 123 coordinates: [ 0.997255020000000, 0.568013580000000, 0.253955490000000 ] mass: 137.327000 reduced_to: 123 - symbol: Ba # 124 coordinates: [ 0.497255020000000, 0.931986420000000, 0.746044510000000 ] mass: 137.327000 reduced_to: 124 - symbol: Ba # 125 coordinates: [ 0.004671990000000, 0.071077810000000, 0.994106490000000 ] mass: 137.327000 reduced_to: 125 - symbol: Ba # 126 coordinates: [ 0.504671990000000, 0.428922190000000, 0.005893510000000 ] mass: 137.327000 reduced_to: 126 - symbol: Ba # 127 coordinates: [ 0.995328010000000, 0.571077810000000, 0.505893510000000 ] mass: 137.327000 reduced_to: 127 - symbol: Ba # 128 coordinates: [ 0.495328010000000, 0.928922190000000, 0.494106490000000 ] mass: 137.327000 reduced_to: 128displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0783246100000000, -0.0145620300000000, -0.0050007000000000 ] - [ 0.0006618000000000, -0.0002662300000000, -0.0000442400000000 ] - [ 0.0001415100000000, 0.0000832300000000, -0.0000501500000000 ] - [ 0.0001382600000000, 0.0000429900000000, 0.0000427300000000 ] - [ -0.0006904000000000, -0.0002233100000000, -0.0001833100000000 ] - [ -0.0000314600000000, -0.0000324400000000, 0.0000713700000000 ] - [ 0.0001275000000000, -0.0000029900000000, 0.0000145500000000 ] - [ -0.0000329400000000, 0.0000771900000000, -0.0000617700000000 ] - [ 0.0020725100000000, -0.0005298500000000, 0.0001424900000000 ] - [ 0.0000229200000000, -0.0001622100000000, 0.0000690400000000 ] - [ 0.0000071000000000, 0.0001216300000000, 0.0000479400000000 ] - [ -0.0001174100000000, 0.0001085600000000, -0.0000063400000000 ] - [ -0.0001222100000000, 0.0000039700000000, 0.0000859400000000 ] - [ -0.0001337200000000, -0.0003249900000000, 0.0002592400000000 ] - [ -0.0001564500000000, 0.0009629600000000, 0.0005355800000000 ] - [ 0.0002255800000000, 0.0000883900000000, -0.0000036700000000 ] - [ -0.0000220200000000, -0.0000375300000000, 0.0000018600000000 ] - [ 0.0014818400000000, 0.0002007300000000, -0.0002799200000000 ] - [ 0.0000258400000000, 0.0000508800000000, 0.0000297300000000 ] - [ -0.0000072400000000, 0.0000126100000000, -0.0000596400000000 ] - [ 0.0003839600000000, 0.0000329800000000, -0.0001381200000000 ] - [ -0.0003202800000000, -0.0001604900000000, 0.0004163300000000 ] - [ -0.0001587800000000, 0.0000444700000000, 0.0001629500000000 ] - [ -0.0000790900000000, 0.0000408200000000, -0.0000537800000000 ] - [ -0.0002077700000000, -0.0000440400000000, 0.0001134900000000 ] - [ 0.0000425000000000, -0.0000848500000000, 0.0000164000000000 ] - [ 0.0000208900000000, 0.0010967500000000, -0.0000444100000000 ] - [ -0.0000231400000000, 0.0000483400000000, -0.0000894600000000 ] - [ 0.0011948700000000, -0.0012845900000000, -0.0011571700000000 ] - [ -0.0001390700000000, -0.0002819900000000, 0.0000533300000000 ] - [ -0.0000931700000000, 0.0002953000000000, -0.0000892300000000 ] - [ 0.0000314500000000, -0.0001420300000000, -0.0000238000000000 ] - [ -0.0002285700000000, -0.0004639100000000, -0.0005163000000000 ] - [ -0.0000737600000000, -0.0000439000000000, -0.0000644000000000 ] - [ 0.0004732500000000, 0.0000756900000000, -0.0002461500000000 ] - [ -0.0001023800000000, 0.0001567700000000, 0.0000284300000000 ] - [ 0.0005432700000000, -0.0007965800000000, -0.0001685100000000 ] - [ 0.0000487500000000, -0.0001302800000000, -0.0000280900000000 ] - [ -0.0004122500000000, 0.0007983500000000, -0.0002906700000000 ] - [ -0.0001246000000000, -0.0000273600000000, -0.0001296900000000 ] - [ -0.0002161900000000, -0.0000478900000000, 0.0000771600000000 ] - [ 0.0000875900000000, -0.0000752600000000, -0.0000275300000000 ] - [ 0.0001431000000000, -0.0000115200000000, 0.0000034300000000 ] - [ -0.0003401900000000, -0.0000610200000000, 0.0002354500000000 ] - [ 0.0002466500000000, -0.0002780500000000, -0.0000821700000000 ] - [ -0.0001160700000000, -0.0000402400000000, 0.0002675600000000 ] - [ -0.0000845500000000, 0.0001479800000000, 0.0001763100000000 ] - [ 0.0000411700000000, 0.0001428000000000, -0.0002631100000000 ] - [ 0.0005832700000000, -0.0008537400000000, -0.0014141100000000 ] - [ 0.0003348800000000, -0.0007307100000000, 0.0001316400000000 ] - [ 0.0002186300000000, -0.0001507700000000, 0.0002433700000000 ] - [ 0.0000947800000000, -0.0000915300000000, 0.0000785600000000 ] - [ 0.0000797400000000, -0.0001000100000000, 0.0000001600000000 ] - [ 0.0005923400000000, -0.0000494100000000, -0.0002199600000000 ] - [ -0.0000157100000000, -0.0000578900000000, 0.0000735900000000 ] - [ -0.0002013400000000, 0.0001235100000000, -0.0000210900000000 ] - [ -0.0001406800000000, -0.0001341600000000, 0.0002013200000000 ] - [ 0.0000514800000000, 0.0003291100000000, 0.0001104800000000 ] - [ 0.0002152100000000, -0.0000148100000000, -0.0001805400000000 ] - [ -0.0003815600000000, 0.0001859200000000, -0.0000588700000000 ] - [ 0.0001369300000000, 0.0000649200000000, 0.0001908100000000 ] - [ 0.0000495300000000, -0.0000225300000000, 0.0000200000000000 ] - [ -0.0005982600000000, 0.0002275500000000, -0.0001120400000000 ] - [ 0.0007476100000000, 0.0001430900000000, 0.0006005900000000 ] - [ -0.0001244000000000, 0.0000710600000000, -0.0000859500000000 ] - [ 0.0000628300000000, 0.0000836600000000, 0.0002210600000000 ] - [ 0.0006660500000000, -0.0005434100000000, 0.0000467200000000 ] - [ 0.0000186300000000, -0.0002109800000000, -0.0001465600000000 ] - [ -0.0003001100000000, 0.0004470300000000, 0.0003779000000000 ] - [ 0.0001132700000000, 0.0002593700000000, 0.0002585000000000 ] - [ 0.0002734000000000, -0.0000156800000000, 0.0000143100000000 ] - [ -0.0000031200000000, 0.0001147100000000, -0.0001496800000000 ] - [ 0.0050248500000000, 0.0038090200000000, -0.0019048700000000 ] - [ 0.0005849300000000, -0.0004546500000000, 0.0011567800000000 ] - [ -0.0001185000000000, 0.0001770700000000, -0.0000114700000000 ] - [ -0.0001954300000000, 0.0000755000000000, -0.0000323100000000 ] - [ 0.0020346600000000, 0.0019044300000000, 0.0019043000000000 ] - [ 0.0000361900000000, -0.0001287300000000, 0.0004887300000000 ] - [ 0.0000854000000000, 0.0001151400000000, 0.0002339100000000 ] - [ -0.0000127500000000, 0.0000917000000000, -0.0001950900000000 ] - [ 0.0001273100000000, 0.0002148300000000, 0.0001032200000000 ] - [ -0.0006359300000000, 0.0007246900000000, 0.0011011800000000 ] - [ -0.0001366500000000, -0.0000097100000000, -0.0001682700000000 ] - [ 0.0005121400000000, -0.0005033600000000, 0.0003211400000000 ] - [ 0.0008392100000000, 0.0003081000000000, -0.0005943600000000 ] - [ 0.0000787400000000, 0.0002838800000000, -0.0004208300000000 ] - [ -0.0003506600000000, -0.0002071500000000, -0.0001074800000000 ] - [ 0.0001618000000000, -0.0001599800000000, 0.0003723100000000 ] - [ -0.0010273200000000, 0.0003274700000000, -0.0004040900000000 ] - [ 0.0005386700000000, 0.0001073200000000, 0.0001340500000000 ] - [ 0.0003626900000000, -0.0002903100000000, -0.0001703500000000 ] - [ -0.0000315800000000, 0.0000678300000000, -0.0001227600000000 ] - [ 0.0588954600000000, 0.0038101700000000, 0.0049857800000000 ] - [ -0.0002077000000000, 0.0007090900000000, -0.0007611000000000 ] - [ -0.0000374200000000, -0.0000878100000000, 0.0000057700000000 ] - [ -0.0000020800000000, -0.0000898900000000, -0.0000502800000000 ] - [ 0.0000195300000000, 0.0000283300000000, 0.0000846400000000 ] - [ -0.0000738500000000, 0.0001282700000000, -0.0001492200000000 ] - [ -0.0001762700000000, -0.0002445000000000, -0.0001166500000000 ] - [ -0.0000252300000000, -0.0000739100000000, 0.0001373800000000 ] - [ 0.0023509700000000, 0.0014498000000000, 0.0012347400000000 ] - [ -0.0001680900000000, 0.0001299900000000, -0.0000895600000000 ] - [ -0.0001222400000000, -0.0002693100000000, 0.0000962700000000 ] - [ 0.0000243800000000, -0.0000092500000000, 0.0000284800000000 ] - [ -0.0000947400000000, 0.0000834700000000, -0.0001665200000000 ] - [ -0.0004949600000000, -0.0009066400000000, -0.0000189100000000 ] - [ 0.0001653600000000, 0.0000853800000000, -0.0001074300000000 ] - [ 0.0000580400000000, 0.0005317500000000, -0.0003612400000000 ] - [ 0.0024448700000000, 0.0016139600000000, 0.0017880300000000 ] - [ -0.0005335100000000, -0.0008731600000000, 0.0002837200000000 ] - [ 0.0000571500000000, -0.0000672000000000, -0.0000036300000000 ] - [ 0.0000094100000000, 0.0000816800000000, -0.0000557300000000 ] - [ 0.0000760800000000, 0.0001595600000000, -0.0001434900000000 ] - [ -0.0014509200000000, 0.0000730700000000, -0.0003443600000000 ] - [ -0.0000169300000000, -0.0001374500000000, -0.0000536800000000 ] - [ -0.0000719500000000, -0.0002024400000000, -0.0001031900000000 ] - [ -0.0014859800000000, 0.0003477700000000, 0.0006100500000000 ] - [ 0.0022732000000000, 0.0012962500000000, -0.0011645300000000 ] - [ -0.0000382000000000, 0.0000484300000000, -0.0000453600000000 ] - [ 0.0000148600000000, -0.0002025200000000, 0.0000874800000000 ] - [ -0.0001256900000000, 0.0000820400000000, -0.0000549000000000 ] - [ 0.0001811300000000, -0.0000044300000000, 0.0001137200000000 ] - [ -0.0000063500000000, 0.0001281400000000, 0.0000594400000000 ] - [ 0.0023784100000000, 0.0015998500000000, -0.0017453400000000 ] - [ -0.0000962200000000, 0.0005127600000000, 0.0005522900000000 ] - [ 0.0000988600000000, 0.0001257700000000, -0.0001786400000000 ] - [ 0.0000520300000000, 0.0000036800000000, -0.0001907100000000 ] - [ -0.0000265300000000, 0.0000941200000000, 0.0002237500000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0810692000000000, 0.0146833600000000, 0.0053303100000000 ] - [ -0.0009056600000000, 0.0002589400000000, -0.0000077600000000 ] - [ 0.0001021200000000, -0.0000776900000000, -0.0000030500000000 ] - [ 0.0001052800000000, -0.0000494900000000, 0.0000105600000000 ] - [ 0.0006388800000000, 0.0001547100000000, 0.0001658600000000 ] - [ -0.0000232200000000, 0.0000983800000000, -0.0000424900000000 ] - [ -0.0000732300000000, -0.0000632400000000, 0.0000144500000000 ] - [ 0.0000882700000000, -0.0000121800000000, 0.0000319900000000 ] - [ -0.0020065900000000, 0.0005121900000000, -0.0001810800000000 ] - [ 0.0000865800000000, 0.0001888300000000, -0.0000384100000000 ] - [ -0.0001225100000000, -0.0001464100000000, -0.0000130000000000 ] - [ 0.0000023200000000, -0.0000845300000000, -0.0000290100000000 ] - [ -0.0001714600000000, 0.0001437100000000, -0.0000203400000000 ] - [ -0.0001590000000000, 0.0001782100000000, -0.0003271500000000 ] - [ 0.0004490000000000, -0.0008110900000000, -0.0005988600000000 ] - [ 0.0000678200000000, -0.0002381700000000, 0.0000695700000000 ] - [ 0.0000272000000000, 0.0000257400000000, -0.0000458800000000 ] - [ -0.0014665300000000, -0.0001875300000000, 0.0003262500000000 ] - [ -0.0000310200000000, -0.0000629100000000, 0.0000140900000000 ] - [ 0.0000031900000000, -0.0000004700000000, 0.0000157400000000 ] - [ -0.0002166300000000, 0.0000539900000000, -0.0000262200000000 ] - [ 0.0004917400000000, 0.0000701000000000, -0.0002642100000000 ] - [ -0.0000094500000000, 0.0000425100000000, 0.0000023700000000 ] - [ -0.0000894400000000, -0.0001285500000000, -0.0001106200000000 ] - [ 0.0002574400000000, 0.0001595400000000, -0.0000554400000000 ] - [ 0.0000152700000000, -0.0000287800000000, -0.0000705700000000 ] - [ -0.0000801200000000, -0.0009861100000000, -0.0000088800000000 ] - [ -0.0000338200000000, -0.0001627400000000, 0.0001443300000000 ] - [ -0.0012418300000000, 0.0016873000000000, 0.0011535800000000 ] - [ 0.0000941000000000, -0.0001286000000000, -0.0000626500000000 ] - [ 0.0001393700000000, 0.0001155300000000, 0.0000814700000000 ] - [ 0.0000149800000000, -0.0002692200000000, 0.0000325900000000 ] - [ 0.0000708400000000, 0.0004497300000000, 0.0006976600000000 ] - [ -0.0000839300000000, 0.0000637500000000, -0.0001100000000000 ] - [ -0.0003192700000000, -0.0000944800000000, 0.0000728600000000 ] - [ 0.0002609000000000, -0.0001381300000000, 0.0001465800000000 ] - [ -0.0002657900000000, 0.0009128700000000, -0.0001618300000000 ] - [ 0.0002369200000000, 0.0000150200000000, 0.0003611100000000 ] - [ 0.0001274900000000, -0.0006793600000000, 0.0006193300000000 ] - [ -0.0001594300000000, -0.0000881200000000, -0.0002020300000000 ] - [ -0.0000575200000000, -0.0000415100000000, -0.0000826500000000 ] - [ -0.0003638400000000, 0.0001613800000000, 0.0000331700000000 ] - [ 0.0001316800000000, -0.0000769000000000, 0.0000009300000000 ] - [ 0.0006125000000000, 0.0001481300000000, -0.0002376900000000 ] - [ -0.0002612400000000, 0.0002002400000000, -0.0003233900000000 ] - [ 0.0001038100000000, 0.0001193700000000, 0.0001348300000000 ] - [ 0.0000978100000000, -0.0002270000000000, 0.0002269400000000 ] - [ -0.0000276500000000, -0.0000644000000000, -0.0001401300000000 ] - [ -0.0007111600000000, 0.0009141200000000, 0.0011132200000000 ] - [ -0.0004611100000000, 0.0006809300000000, 0.0001822800000000 ] - [ -0.0000948700000000, 0.0002003700000000, 0.0000696500000000 ] - [ 0.0000300500000000, 0.0000419400000000, -0.0003929300000000 ] - [ 0.0000766900000000, -0.0000181600000000, -0.0000301200000000 ] - [ -0.0004369800000000, 0.0001678100000000, 0.0002489800000000 ] - [ -0.0001418400000000, -0.0000605500000000, -0.0000437400000000 ] - [ 0.0000448600000000, -0.0000048500000000, -0.0000071600000000 ] - [ 0.0000299600000000, -0.0000810700000000, 0.0001427700000000 ] - [ -0.0001633500000000, -0.0001146900000000, -0.0004538000000000 ] - [ -0.0001042700000000, -0.0002002900000000, -0.0001628400000000 ] - [ 0.0004900600000000, 0.0000261500000000, 0.0003999100000000 ] - [ 0.0000653100000000, 0.0000529200000000, 0.0000348600000000 ] - [ 0.0001529700000000, -0.0000958800000000, -0.0002458800000000 ] - [ 0.0004004600000000, -0.0001101600000000, -0.0001146900000000 ] - [ -0.0009566200000000, -0.0002564400000000, -0.0003690200000000 ] - [ 0.0001882900000000, -0.0002264500000000, -0.0003239600000000 ] - [ -0.0000011800000000, 0.0000701900000000, 0.0001877300000000 ] - [ -0.0007256800000000, 0.0003929700000000, 0.0003591300000000 ] - [ -0.0000803500000000, 0.0003676300000000, -0.0002619900000000 ] - [ 0.0002370400000000, -0.0004858300000000, -0.0006076800000000 ] - [ -0.0001809400000000, -0.0002222600000000, -0.0000350400000000 ] - [ -0.0002080200000000, -0.0000218900000000, 0.0002095900000000 ] - [ 0.0000707300000000, -0.0000782300000000, -0.0000745500000000 ] - [ -0.0047872200000000, -0.0037943100000000, 0.0019192500000000 ] - [ -0.0002681100000000, 0.0003650400000000, -0.0011003700000000 ] - [ -0.0002040000000000, -0.0000905200000000, 0.0000644900000000 ] - [ -0.0001273200000000, -0.0001623100000000, -0.0000206200000000 ] - [ -0.0021398600000000, -0.0018093600000000, -0.0025127300000000 ] - [ -0.0000925600000000, -0.0000069200000000, 0.0000513500000000 ] - [ -0.0000307200000000, 0.0000209600000000, 0.0003048500000000 ] - [ 0.0000675700000000, -0.0002274300000000, -0.0003438900000000 ] - [ 0.0000116700000000, -0.0000355400000000, 0.0003184500000000 ] - [ 0.0007742400000000, -0.0008988900000000, -0.0015136400000000 ] - [ -0.0000033200000000, 0.0001901900000000, -0.0002526900000000 ] - [ -0.0006522300000000, 0.0003285600000000, 0.0000975400000000 ] - [ -0.0005185900000000, -0.0004671500000000, 0.0009083400000000 ] - [ 0.0002499500000000, -0.0001245700000000, 0.0001083400000000 ] - [ 0.0000209900000000, 0.0000500400000000, -0.0002047900000000 ] - [ -0.0004867000000000, 0.0003196900000000, -0.0000567100000000 ] - [ 0.0010886000000000, -0.0005872400000000, 0.0002454100000000 ] - [ -0.0004916600000000, 0.0001566300000000, 0.0000267100000000 ] - [ -0.0004157800000000, 0.0000290400000000, 0.0003262500000000 ] - [ -0.0000247900000000, 0.0001950600000000, -0.0000359900000000 ] - [ -0.0618082800000000, -0.0039837300000000, -0.0053167500000000 ] - [ 0.0001985900000000, -0.0007357700000000, 0.0007794500000000 ] - [ 0.0000510100000000, 0.0001178800000000, 0.0000131700000000 ] - [ 0.0000165000000000, 0.0000608400000000, 0.0000320500000000 ] - [ -0.0000000100000000, -0.0001182500000000, 0.0000534200000000 ] - [ 0.0000939600000000, -0.0000398300000000, 0.0000102300000000 ] - [ 0.0001570300000000, 0.0001564400000000, -0.0000226900000000 ] - [ 0.0000048800000000, 0.0001623100000000, 0.0000018800000000 ] - [ -0.0024712400000000, -0.0015194000000000, -0.0011717200000000 ] - [ 0.0000467200000000, -0.0000257000000000, 0.0000492000000000 ] - [ 0.0002439900000000, 0.0001643200000000, -0.0001360900000000 ] - [ 0.0000970900000000, 0.0001143900000000, 0.0000117300000000 ] - [ -0.0001203300000000, 0.0000395400000000, 0.0003115700000000 ] - [ 0.0002784100000000, 0.0007891100000000, -0.0001266100000000 ] - [ 0.0000514600000000, 0.0000353100000000, -0.0000357200000000 ] - [ 0.0001567200000000, -0.0006591100000000, 0.0005095600000000 ] - [ -0.0024874000000000, -0.0015939000000000, -0.0017033600000000 ] - [ 0.0004447800000000, 0.0009242000000000, -0.0002866000000000 ] - [ 0.0000308700000000, 0.0000206500000000, -0.0000018700000000 ] - [ 0.0000793400000000, -0.0000358300000000, 0.0000612600000000 ] - [ -0.0001136000000000, -0.0001419300000000, 0.0000158500000000 ] - [ 0.0014272500000000, -0.0000904700000000, 0.0004816500000000 ] - [ 0.0000535900000000, 0.0001567700000000, 0.0001827900000000 ] - [ 0.0001090700000000, 0.0001835200000000, -0.0000267400000000 ] - [ 0.0013895600000000, -0.0001032000000000, -0.0005768800000000 ] - [ -0.0023759700000000, -0.0015396400000000, 0.0011236100000000 ] - [ 0.0001467800000000, 0.0001975400000000, 0.0000073200000000 ] - [ 0.0000930400000000, -0.0000430600000000, -0.0000492900000000 ] - [ 0.0000341000000000, 0.0000888800000000, -0.0000033400000000 ] - [ -0.0002724400000000, -0.0001673100000000, -0.0000558400000000 ] - [ 0.0000974100000000, 0.0000427900000000, -0.0000017000000000 ] - [ -0.0022408700000000, -0.0017016300000000, 0.0016045700000000 ] - [ 0.0001350800000000, -0.0005000000000000, -0.0003752000000000 ] - [ -0.0000573800000000, -0.0001445100000000, -0.0000029500000000 ] - [ -0.0000923100000000, 0.0000139400000000, 0.0000090000000000 ] - [ -0.0000130900000000, -0.0001103400000000, -0.0000424900000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0149047100000000, -0.0311347200000000, -0.0041613300000000 ] - [ 0.0001419000000000, -0.0001783900000000, -0.0000605900000000 ] - [ 0.0000413800000000, 0.0002244700000000, -0.0000474600000000 ] - [ 0.0001681700000000, 0.0000351700000000, 0.0000192700000000 ] - [ -0.0001903000000000, -0.0005802400000000, -0.0000249100000000 ] - [ -0.0000437800000000, -0.0000693000000000, 0.0000665100000000 ] - [ 0.0000884800000000, 0.0002325100000000, 0.0000311000000000 ] - [ -0.0002473600000000, 0.0005051400000000, 0.0004404800000000 ] - [ -0.0018633500000000, -0.0009566400000000, -0.0001871400000000 ] - [ -0.0004447900000000, 0.0001454200000000, -0.0004167000000000 ] - [ -0.0000147700000000, 0.0002422900000000, 0.0000373900000000 ] - [ -0.0000950300000000, 0.0000668500000000, -0.0000341200000000 ] - [ -0.0001386000000000, 0.0000425100000000, 0.0000713500000000 ] - [ -0.0000988200000000, -0.0003811700000000, -0.0000432300000000 ] - [ 0.0001722500000000, 0.0004700800000000, 0.0003369700000000 ] - [ 0.0002419100000000, 0.0001816100000000, 0.0000153700000000 ] - [ 0.0000086100000000, -0.0001277200000000, -0.0000009600000000 ] - [ 0.0003491700000000, -0.0000523700000000, -0.0000041800000000 ] - [ -0.0000197200000000, 0.0001637500000000, 0.0000350500000000 ] - [ -0.0000902400000000, 0.0003640700000000, 0.0000453900000000 ] - [ 0.0000437700000000, -0.0001412800000000, -0.0001416300000000 ] - [ 0.0000032700000000, -0.0005739800000000, 0.0001509000000000 ] - [ -0.0003036300000000, 0.0006054400000000, -0.0004273000000000 ] - [ -0.0001216600000000, 0.0000761400000000, -0.0000768100000000 ] - [ -0.0009019700000000, 0.0003467100000000, 0.0007431700000000 ] - [ 0.0000357700000000, -0.0001352300000000, -0.0000164700000000 ] - [ 0.0003256100000000, 0.0010528000000000, 0.0000179600000000 ] - [ -0.0000095100000000, 0.0001398500000000, -0.0000481600000000 ] - [ -0.0002254400000000, -0.0002984500000000, -0.0000681800000000 ] - [ -0.0000581900000000, -0.0003537000000000, -0.0000116000000000 ] - [ 0.0002548000000000, 0.0008074300000000, -0.0001839700000000 ] - [ -0.0000026300000000, -0.0000571200000000, 0.0000072800000000 ] - [ 0.0004008200000000, 0.0002305900000000, 0.0006617200000000 ] - [ -0.0000813800000000, -0.0000184500000000, -0.0000591300000000 ] - [ 0.0000034700000000, -0.0001152300000000, 0.0000618900000000 ] - [ 0.0001199200000000, 0.0001705700000000, 0.0000037500000000 ] - [ -0.0005061600000000, 0.0006391200000000, -0.0001040400000000 ] - [ 0.0001710300000000, -0.0002552000000000, 0.0002629300000000 ] - [ -0.0000607500000000, 0.0003940600000000, -0.0002131200000000 ] - [ -0.0001658500000000, 0.0000500300000000, -0.0001602400000000 ] - [ -0.0001233000000000, -0.0001524200000000, 0.0000299500000000 ] - [ -0.0001979500000000, 0.0000680300000000, 0.0000826200000000 ] - [ 0.0001513900000000, 0.0000520100000000, -0.0000278000000000 ] - [ 0.0007214600000000, 0.0014612800000000, -0.0011101200000000 ] - [ 0.0000923100000000, -0.0002826700000000, -0.0000806300000000 ] - [ -0.0000357200000000, -0.0001251700000000, 0.0002150300000000 ] - [ 0.0001679500000000, 0.0005796800000000, 0.0001252100000000 ] - [ 0.0000024400000000, 0.0002918800000000, -0.0002373000000000 ] - [ 0.0011960400000000, 0.0004492700000000, -0.0008122000000000 ] - [ 0.0005283200000000, -0.0000695600000000, 0.0007387900000000 ] - [ 0.0000884300000000, -0.0001709300000000, 0.0001476400000000 ] - [ 0.0001587100000000, -0.0001017300000000, 0.0000145800000000 ] - [ 0.0000768600000000, -0.0000388400000000, 0.0000199900000000 ] - [ 0.0004937400000000, -0.0000338800000000, -0.0002352100000000 ] - [ -0.0000669400000000, -0.0000839700000000, 0.0001561800000000 ] - [ 0.0000794200000000, 0.0002332900000000, 0.0000815600000000 ] - [ -0.0000368700000000, -0.0002479100000000, 0.0001646300000000 ] - [ -0.0001688000000000, 0.0001726300000000, 0.0001013000000000 ] - [ 0.0001243400000000, 0.0001008400000000, -0.0002149200000000 ] - [ 0.0004762800000000, 0.0010609100000000, 0.0009863200000000 ] - [ 0.0001075700000000, 0.0000409500000000, 0.0001177900000000 ] - [ 0.0001480600000000, 0.0000019900000000, 0.0001163800000000 ] - [ 0.0001478300000000, 0.0003683500000000, -0.0003355300000000 ] - [ 0.0000468700000000, 0.0000568400000000, 0.0003368100000000 ] - [ 0.0001407800000000, -0.0000861500000000, -0.0004000600000000 ] - [ 0.0000480600000000, 0.0000877500000000, 0.0002457100000000 ] - [ -0.0001299300000000, -0.0001260300000000, -0.0000537200000000 ] - [ 0.0000830500000000, -0.0000923000000000, -0.0001435000000000 ] - [ 0.0000324100000000, 0.0003651000000000, -0.0000895900000000 ] - [ -0.0000395700000000, -0.0001511800000000, -0.0000435200000000 ] - [ 0.0002635300000000, -0.0000219700000000, -0.0000724500000000 ] - [ 0.0000185400000000, 0.0000954200000000, -0.0001545700000000 ] - [ 0.0032827900000000, 0.0010349500000000, -0.0010428900000000 ] - [ -0.0000165400000000, -0.0006384400000000, 0.0001879800000000 ] - [ -0.0002562800000000, 0.0002526900000000, -0.0000689500000000 ] - [ -0.0001747200000000, 0.0001076900000000, -0.0000768900000000 ] - [ 0.0018595700000000, -0.0003423500000000, 0.0008875600000000 ] - [ -0.0000369300000000, -0.0002422100000000, 0.0002539700000000 ] - [ 0.0000427100000000, 0.0002722000000000, 0.0002276600000000 ] - [ 0.0000555500000000, 0.0000932300000000, -0.0002548700000000 ] - [ 0.0000841200000000, 0.0003099700000000, 0.0001901000000000 ] - [ 0.0002149100000000, 0.0002689400000000, -0.0001849700000000 ] - [ -0.0001021500000000, -0.0001799400000000, -0.0001644900000000 ] - [ 0.0001220500000000, -0.0014541300000000, 0.0000251500000000 ] - [ 0.0002551800000000, 0.0002981400000000, -0.0000246900000000 ] - [ 0.0001327700000000, 0.0002077300000000, -0.0003220100000000 ] - [ -0.0003120900000000, -0.0003679200000000, -0.0001460200000000 ] - [ -0.0007594700000000, -0.0007340000000000, -0.0006212500000000 ] - [ 0.0005343800000000, 0.0002046300000000, -0.0004720900000000 ] - [ 0.0000026400000000, 0.0003157100000000, 0.0000081800000000 ] - [ -0.0007682500000000, -0.0009217800000000, 0.0009370300000000 ] - [ -0.0000523800000000, -0.0000253500000000, -0.0000828500000000 ] - [ 0.0044633900000000, 0.0072333400000000, 0.0006805200000000 ] - [ 0.0000314000000000, 0.0004578700000000, -0.0001800700000000 ] - [ 0.0000037700000000, -0.0002797600000000, 0.0000141800000000 ] - [ -0.0000397900000000, -0.0000621900000000, -0.0000067200000000 ] - [ -0.0000566100000000, 0.0001153100000000, -0.0001430700000000 ] - [ -0.0000190400000000, 0.0002234500000000, -0.0000640000000000 ] - [ -0.0002858100000000, -0.0003992200000000, -0.0002704100000000 ] - [ -0.0000147500000000, -0.0003791300000000, 0.0001069300000000 ] - [ 0.0012964000000000, 0.0086007700000000, 0.0054618000000000 ] - [ -0.0000900500000000, 0.0002168000000000, -0.0000898000000000 ] - [ -0.0002299400000000, -0.0003864000000000, 0.0001470900000000 ] - [ -0.0000009500000000, -0.0001602100000000, -0.0000399500000000 ] - [ -0.0000620600000000, 0.0001947100000000, -0.0001119200000000 ] - [ -0.0004046500000000, -0.0003539300000000, -0.0002344300000000 ] - [ 0.0001263500000000, -0.0000787800000000, -0.0000044900000000 ] - [ 0.0004889900000000, -0.0002862200000000, 0.0003200100000000 ] - [ 0.0021291400000000, 0.0043260900000000, 0.0037457900000000 ] - [ -0.0003124800000000, -0.0003470700000000, 0.0001464800000000 ] - [ 0.0000301500000000, -0.0002748600000000, -0.0001201500000000 ] - [ 0.0000730900000000, 0.0001814600000000, 0.0001541900000000 ] - [ -0.0000268500000000, 0.0001554500000000, 0.0000645300000000 ] - [ -0.0002237300000000, 0.0008341000000000, 0.0004987500000000 ] - [ -0.0000347100000000, -0.0001053100000000, -0.0000397100000000 ] - [ -0.0000252600000000, -0.0005283600000000, -0.0001637100000000 ] - [ -0.0003916800000000, 0.0009462300000000, -0.0002263500000000 ] - [ 0.0006905400000000, 0.0038884400000000, -0.0019223100000000 ] - [ -0.0000668000000000, -0.0001741200000000, 0.0000847800000000 ] - [ 0.0000422800000000, -0.0002421200000000, 0.0001800600000000 ] - [ -0.0000149000000000, 0.0001573800000000, -0.0001664800000000 ] - [ 0.0000046800000000, -0.0006981900000000, -0.0000884300000000 ] - [ -0.0000017100000000, 0.0000706100000000, 0.0001221500000000 ] - [ 0.0018184500000000, 0.0037779100000000, -0.0031978200000000 ] - [ 0.0003546100000000, -0.0002468300000000, -0.0001991100000000 ] - [ 0.0000549400000000, -0.0004610000000000, 0.0000437500000000 ] - [ -0.0000178900000000, -0.0000227900000000, -0.0002163600000000 ] - [ 0.0000266300000000, 0.0001878800000000, 0.0002720800000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0143372800000000, 0.0314111200000000, 0.0043105100000000 ] - [ -0.0003832100000000, 0.0001721800000000, 0.0000068800000000 ] - [ 0.0002023700000000, -0.0002188200000000, -0.0000056600000000 ] - [ 0.0000756600000000, -0.0000414200000000, 0.0000342100000000 ] - [ 0.0001345400000000, 0.0005141500000000, 0.0000036700000000 ] - [ -0.0000109500000000, 0.0001355900000000, -0.0000376300000000 ] - [ -0.0000332600000000, -0.0002986800000000, -0.0000020200000000 ] - [ 0.0002989800000000, -0.0004361000000000, -0.0004654900000000 ] - [ 0.0019830700000000, 0.0009293100000000, 0.0001531000000000 ] - [ 0.0005628100000000, -0.0001221800000000, 0.0004542000000000 ] - [ -0.0001004000000000, -0.0002663100000000, -0.0000019300000000 ] - [ -0.0000203400000000, -0.0000423700000000, -0.0000008400000000 ] - [ -0.0001547800000000, 0.0001053500000000, -0.0000054500000000 ] - [ -0.0001940700000000, 0.0002316100000000, -0.0000212600000000 ] - [ 0.0001207700000000, -0.0003230600000000, -0.0004032400000000 ] - [ 0.0000510700000000, -0.0003296500000000, 0.0000511300000000 ] - [ -0.0000036100000000, 0.0001151000000000, -0.0000424800000000 ] - [ -0.0003367600000000, 0.0000669900000000, 0.0000476800000000 ] - [ 0.0000145500000000, -0.0001757800000000, 0.0000086000000000 ] - [ 0.0000848900000000, -0.0003534200000000, -0.0000894500000000 ] - [ 0.0001259600000000, 0.0002298800000000, -0.0000231600000000 ] - [ 0.0001644500000000, 0.0004860600000000, 0.0000085300000000 ] - [ 0.0001322900000000, -0.0005141600000000, 0.0005876500000000 ] - [ -0.0000468400000000, -0.0001639600000000, -0.0000875000000000 ] - [ 0.0009649700000000, -0.0002350300000000, -0.0006923600000000 ] - [ 0.0000220800000000, 0.0000210900000000, -0.0000372300000000 ] - [ -0.0003779100000000, -0.0009348100000000, -0.0000725900000000 ] - [ -0.0000478600000000, -0.0002531900000000, 0.0001017800000000 ] - [ 0.0001821000000000, 0.0007039200000000, 0.0000744800000000 ] - [ 0.0000118600000000, -0.0000575700000000, 0.0000027100000000 ] - [ -0.0002071100000000, -0.0003951200000000, 0.0001755000000000 ] - [ 0.0000490300000000, -0.0003536700000000, 0.0000019700000000 ] - [ -0.0005606300000000, -0.0002531100000000, -0.0004922000000000 ] - [ -0.0000761900000000, 0.0000381300000000, -0.0001152100000000 ] - [ 0.0001562400000000, 0.0000957700000000, -0.0002380200000000 ] - [ 0.0000364500000000, -0.0001501300000000, 0.0001717900000000 ] - [ 0.0007899300000000, -0.0005213800000000, -0.0002273800000000 ] - [ 0.0001129600000000, 0.0001391800000000, 0.0000677600000000 ] - [ -0.0002228800000000, -0.0002801600000000, 0.0005456200000000 ] - [ -0.0001176800000000, -0.0001653600000000, -0.0001712200000000 ] - [ -0.0001515900000000, 0.0000631900000000, -0.0000341000000000 ] - [ -0.0000757800000000, 0.0000203400000000, -0.0000774300000000 ] - [ 0.0001233700000000, -0.0001406000000000, 0.0000322300000000 ] - [ -0.0004421200000000, -0.0013662900000000, 0.0010947200000000 ] - [ -0.0001047000000000, 0.0002041600000000, -0.0003221900000000 ] - [ 0.0000223500000000, 0.0002035400000000, 0.0001890900000000 ] - [ -0.0001535100000000, -0.0006573100000000, 0.0002767300000000 ] - [ 0.0000111200000000, -0.0002131300000000, -0.0001660000000000 ] - [ -0.0013286700000000, -0.0004228900000000, 0.0004920400000000 ] - [ -0.0006502000000000, 0.0000183100000000, -0.0004234500000000 ] - [ 0.0000371800000000, 0.0002196200000000, 0.0001655800000000 ] - [ -0.0000338100000000, 0.0000523600000000, -0.0003271000000000 ] - [ 0.0000795300000000, -0.0000798300000000, -0.0000499000000000 ] - [ -0.0003354000000000, 0.0001512900000000, 0.0002631700000000 ] - [ -0.0000900100000000, -0.0000347200000000, -0.0001268300000000 ] - [ -0.0002385700000000, -0.0001153400000000, -0.0001089300000000 ] - [ -0.0000749500000000, 0.0000324000000000, 0.0001795600000000 ] - [ 0.0000586600000000, 0.0000433600000000, -0.0004451200000000 ] - [ -0.0000116300000000, -0.0003151100000000, -0.0001284000000000 ] - [ -0.0003592500000000, -0.0008427600000000, -0.0006355600000000 ] - [ 0.0000948100000000, 0.0000770000000000, 0.0001081900000000 ] - [ 0.0000543000000000, -0.0001197300000000, -0.0003418100000000 ] - [ -0.0003532200000000, -0.0002485400000000, 0.0001082900000000 ] - [ -0.0002475900000000, -0.0001685000000000, -0.0001073700000000 ] - [ -0.0000795400000000, -0.0000668700000000, -0.0000075100000000 ] - [ 0.0000137000000000, 0.0000659500000000, 0.0001635700000000 ] - [ 0.0000711200000000, -0.0000314500000000, 0.0004596700000000 ] - [ -0.0001443400000000, 0.0002454900000000, -0.0002670600000000 ] - [ -0.0001008400000000, -0.0004001500000000, -0.0001317800000000 ] - [ -0.0000276000000000, 0.0001877200000000, 0.0002672400000000 ] - [ -0.0001954900000000, -0.0000150500000000, 0.0002962500000000 ] - [ 0.0000487800000000, -0.0000584100000000, -0.0000693800000000 ] - [ -0.0029516000000000, -0.0009312400000000, 0.0009962200000000 ] - [ 0.0003399400000000, 0.0005502000000000, -0.0001323200000000 ] - [ -0.0000672600000000, -0.0001654000000000, 0.0001217200000000 ] - [ -0.0001479900000000, -0.0001941000000000, 0.0000237500000000 ] - [ -0.0019104600000000, 0.0004916800000000, -0.0014266000000000 ] - [ -0.0000183300000000, 0.0001063400000000, 0.0002856200000000 ] - [ 0.0000124900000000, -0.0001365200000000, 0.0003111800000000 ] - [ -0.0000003900000000, -0.0002293000000000, -0.0002838900000000 ] - [ 0.0000553900000000, -0.0001287900000000, 0.0002299200000000 ] - [ -0.0000823800000000, -0.0004495200000000, -0.0002315100000000 ] - [ -0.0000377200000000, 0.0003600200000000, -0.0002558600000000 ] - [ -0.0002593800000000, 0.0012722800000000, 0.0003960400000000 ] - [ 0.0000741700000000, -0.0004522300000000, 0.0003314100000000 ] - [ 0.0001966600000000, -0.0000507400000000, 0.0000098000000000 ] - [ -0.0000182700000000, 0.0002099400000000, -0.0001662300000000 ] - [ 0.0004259800000000, 0.0008909200000000, 0.0009311200000000 ] - [ -0.0004786400000000, -0.0004674000000000, 0.0003100200000000 ] - [ 0.0000528300000000, -0.0000519200000000, 0.0001521700000000 ] - [ 0.0007058400000000, 0.0006600600000000, -0.0007768100000000 ] - [ -0.0000038600000000, 0.0002881500000000, -0.0000768600000000 ] - [ -0.0043032200000000, -0.0071810000000000, -0.0006884900000000 ] - [ -0.0000471600000000, -0.0004878900000000, 0.0001952000000000 ] - [ 0.0000096700000000, 0.0003090600000000, 0.0000035800000000 ] - [ 0.0000537400000000, 0.0000328800000000, -0.0000112800000000 ] - [ 0.0000764100000000, -0.0002052000000000, 0.0002830700000000 ] - [ 0.0000381200000000, -0.0001350300000000, -0.0000762800000000 ] - [ 0.0002650400000000, 0.0003105800000000, 0.0001303600000000 ] - [ -0.0000047500000000, 0.0004666000000000, 0.0000332500000000 ] - [ -0.0014282200000000, -0.0089599700000000, -0.0056769700000000 ] - [ -0.0000319600000000, -0.0001120000000000, 0.0000498600000000 ] - [ 0.0003502300000000, 0.0002807300000000, -0.0001861000000000 ] - [ 0.0001218800000000, 0.0002642200000000, 0.0000791700000000 ] - [ -0.0001542700000000, -0.0000722100000000, 0.0002550600000000 ] - [ 0.0001883100000000, 0.0002273000000000, 0.0000926800000000 ] - [ 0.0000914900000000, 0.0002005300000000, -0.0001395600000000 ] - [ -0.0002710500000000, 0.0001691700000000, -0.0001796300000000 ] - [ -0.0021453000000000, -0.0043394000000000, -0.0036503600000000 ] - [ 0.0002212500000000, 0.0003869800000000, -0.0001502300000000 ] - [ 0.0000590900000000, 0.0002291700000000, 0.0001152200000000 ] - [ 0.0000160700000000, -0.0001339800000000, -0.0001487700000000 ] - [ -0.0000098500000000, -0.0001367900000000, -0.0001945200000000 ] - [ 0.0001798200000000, -0.0008530100000000, -0.0003717000000000 ] - [ 0.0000718900000000, 0.0001245300000000, 0.0001687600000000 ] - [ 0.0000624500000000, 0.0005085900000000, 0.0000338300000000 ] - [ 0.0002771200000000, -0.0007008800000000, 0.0002685100000000 ] - [ -0.0007949300000000, -0.0042532300000000, 0.0020267800000000 ] - [ 0.0001742800000000, 0.0004185500000000, -0.0001221900000000 ] - [ 0.0000662200000000, -0.0000033500000000, -0.0001419500000000 ] - [ -0.0000762300000000, 0.0000147000000000, 0.0001076500000000 ] - [ -0.0000962200000000, 0.0005279400000000, 0.0001460100000000 ] - [ 0.0000928100000000, 0.0000997300000000, -0.0000638000000000 ] - [ -0.0016591100000000, -0.0039159400000000, 0.0030596200000000 ] - [ -0.0003132000000000, 0.0002692500000000, 0.0003839400000000 ] - [ -0.0000138000000000, 0.0004435900000000, -0.0002252500000000 ] - [ -0.0000228800000000, 0.0000395300000000, 0.0000341900000000 ] - [ -0.0000667300000000, -0.0002042300000000, -0.0000904000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0054921200000000, -0.0041957800000000, -0.0332695100000000 ] - [ -0.0001003800000000, -0.0000347300000000, 0.0001587900000000 ] - [ 0.0000959300000000, 0.0000218100000000, -0.0000652500000000 ] - [ 0.0001035200000000, 0.0000067300000000, 0.0001795200000000 ] - [ 0.0004066900000000, -0.0002115900000000, 0.0019994700000000 ] - [ -0.0000668200000000, 0.0000250200000000, 0.0002410000000000 ] - [ 0.0000072800000000, -0.0000380500000000, -0.0000908100000000 ] - [ -0.0001210500000000, 0.0002387400000000, 0.0001838200000000 ] - [ 0.0000345900000000, -0.0000495400000000, -0.0009409100000000 ] - [ 0.0004327300000000, -0.0002896000000000, 0.0004835100000000 ] - [ -0.0000338100000000, 0.0000810000000000, -0.0000212000000000 ] - [ -0.0000631200000000, 0.0000111100000000, 0.0001981700000000 ] - [ -0.0001302900000000, 0.0000774800000000, 0.0002912700000000 ] - [ -0.0000278400000000, -0.0002155700000000, 0.0001526300000000 ] - [ 0.0000450000000000, 0.0005469300000000, 0.0003168500000000 ] - [ 0.0001563900000000, -0.0000704600000000, -0.0001700300000000 ] - [ 0.0000292900000000, -0.0000239900000000, 0.0004663500000000 ] - [ 0.0006535200000000, 0.0002235500000000, -0.0001127900000000 ] - [ 0.0000233800000000, -0.0000105500000000, 0.0000466600000000 ] - [ 0.0000330700000000, -0.0000164800000000, -0.0003734100000000 ] - [ 0.0001376500000000, 0.0000611300000000, -0.0002579400000000 ] - [ -0.0003576600000000, 0.0001048300000000, 0.0019464500000000 ] - [ 0.0000217000000000, -0.0001777100000000, 0.0002539300000000 ] - [ -0.0001112000000000, -0.0000249300000000, 0.0000672600000000 ] - [ -0.0006949300000000, 0.0003025000000000, 0.0004856300000000 ] - [ 0.0000349600000000, -0.0000717600000000, 0.0002564500000000 ] - [ 0.0000337800000000, 0.0001195000000000, -0.0007053700000000 ] - [ -0.0000778500000000, -0.0001387600000000, 0.0001310800000000 ] - [ -0.0003387600000000, 0.0002405500000000, -0.0004725100000000 ] - [ -0.0002253800000000, -0.0002102700000000, 0.0003734500000000 ] - [ -0.0001263900000000, 0.0000425400000000, -0.0001583400000000 ] - [ 0.0000159300000000, -0.0002431400000000, 0.0001201200000000 ] - [ 0.0003607500000000, 0.0002393700000000, 0.0002710600000000 ] - [ -0.0000979300000000, -0.0000716300000000, 0.0000591800000000 ] - [ 0.0001733200000000, -0.0000238500000000, -0.0002467800000000 ] - [ -0.0000251300000000, -0.0000487300000000, 0.0000898800000000 ] - [ 0.0002559800000000, 0.0000511900000000, -0.0008487100000000 ] - [ 0.0000252300000000, 0.0000210600000000, 0.0002756000000000 ] - [ -0.0000937000000000, -0.0003106900000000, 0.0003734700000000 ] - [ -0.0000859300000000, -0.0000223000000000, 0.0000076000000000 ] - [ -0.0002722700000000, 0.0000723800000000, 0.0004268300000000 ] - [ -0.0001534700000000, 0.0001475100000000, -0.0003528000000000 ] - [ 0.0001245500000000, -0.0000652800000000, 0.0001133700000000 ] - [ -0.0002147100000000, -0.0008912200000000, 0.0002063800000000 ] - [ 0.0001227000000000, -0.0001362000000000, 0.0001117200000000 ] - [ 0.0001148000000000, 0.0000741300000000, 0.0006302600000000 ] - [ 0.0001275100000000, 0.0001921900000000, 0.0000119000000000 ] - [ 0.0000013400000000, 0.0000450200000000, -0.0002850300000000 ] - [ -0.0006294000000000, 0.0008423900000000, -0.0000176300000000 ] - [ 0.0002255300000000, -0.0004179900000000, 0.0001939400000000 ] - [ 0.0000459700000000, 0.0001584500000000, 0.0001116700000000 ] - [ 0.0000213500000000, 0.0000775700000000, -0.0000045300000000 ] - [ 0.0001271600000000, -0.0001525400000000, 0.0001426100000000 ] - [ -0.0001771300000000, 0.0000021000000000, 0.0001422600000000 ] - [ -0.0000725700000000, -0.0000558400000000, 0.0000035500000000 ] - [ 0.0000139200000000, 0.0000153900000000, -0.0001841500000000 ] - [ 0.0000637000000000, -0.0002557400000000, 0.0006129500000000 ] - [ -0.0000895700000000, 0.0003168600000000, 0.0001814700000000 ] - [ -0.0000163800000000, -0.0001684100000000, -0.0002342900000000 ] - [ 0.0002831500000000, 0.0007876300000000, 0.0002756200000000 ] - [ 0.0001028800000000, 0.0000643900000000, 0.0002547800000000 ] - [ 0.0000731300000000, 0.0000073300000000, -0.0002507000000000 ] - [ -0.0003021000000000, -0.0002534900000000, -0.0000267900000000 ] - [ 0.0001956200000000, 0.0000597500000000, -0.0001914300000000 ] - [ 0.0000997300000000, -0.0002509500000000, -0.0002256400000000 ] - [ 0.0000339100000000, 0.0001007400000000, 0.0001730400000000 ] - [ 0.0000942200000000, -0.0000486800000000, 0.0000650000000000 ] - [ -0.0001296700000000, -0.0000512500000000, 0.0000690700000000 ] - [ 0.0001802700000000, -0.0002775200000000, -0.0006284800000000 ] - [ 0.0000171600000000, 0.0001309800000000, 0.0001951700000000 ] - [ -0.0002796600000000, -0.0001507100000000, 0.0003365900000000 ] - [ 0.0000413700000000, 0.0000210600000000, -0.0000684500000000 ] - [ -0.0037617600000000, -0.0028187900000000, 0.0005715900000000 ] - [ 0.0005481600000000, 0.0000150700000000, 0.0004768200000000 ] - [ -0.0001329700000000, -0.0000650500000000, 0.0000880300000000 ] - [ -0.0001192200000000, -0.0000688400000000, 0.0001070200000000 ] - [ 0.0033000500000000, 0.0018248500000000, 0.0007824500000000 ] - [ 0.0000495000000000, -0.0000297600000000, 0.0006188900000000 ] - [ 0.0000254500000000, 0.0000900600000000, 0.0001009200000000 ] - [ 0.0000053000000000, -0.0000323300000000, -0.0000393700000000 ] - [ 0.0000652300000000, 0.0001216800000000, -0.0006913500000000 ] - [ -0.0000444200000000, -0.0000863400000000, 0.0000812900000000 ] - [ -0.0000353500000000, 0.0001359800000000, -0.0002512800000000 ] - [ -0.0000172500000000, -0.0001110100000000, 0.0014698700000000 ] - [ -0.0008037400000000, 0.0004647100000000, -0.0008063500000000 ] - [ 0.0001257000000000, 0.0001338100000000, -0.0006760700000000 ] - [ -0.0001635000000000, -0.0000384400000000, 0.0000263000000000 ] - [ -0.0003737900000000, -0.0003533600000000, -0.0001643600000000 ] - [ -0.0000584200000000, -0.0002836500000000, 0.0004434600000000 ] - [ 0.0010917100000000, -0.0002488200000000, -0.0006153900000000 ] - [ 0.0002284500000000, 0.0002168500000000, -0.0002216200000000 ] - [ -0.0000395600000000, 0.0001214100000000, -0.0003072900000000 ] - [ 0.0049541000000000, 0.0007328300000000, 0.0067763400000000 ] - [ -0.0000014400000000, -0.0000543800000000, -0.0003708200000000 ] - [ 0.0000045900000000, -0.0000338700000000, 0.0001865900000000 ] - [ 0.0000403500000000, -0.0000211800000000, -0.0002018800000000 ] - [ -0.0000180700000000, -0.0003467000000000, -0.0004634800000000 ] - [ -0.0000213700000000, 0.0001098800000000, -0.0003407700000000 ] - [ -0.0000682700000000, -0.0001302100000000, 0.0000452700000000 ] - [ 0.0000294000000000, 0.0000876900000000, 0.0002360300000000 ] - [ 0.0010261200000000, 0.0058009500000000, 0.0062671500000000 ] - [ -0.0000679100000000, 0.0000535200000000, -0.0003155300000000 ] - [ 0.0001350100000000, 0.0000515100000000, 0.0001881200000000 ] - [ 0.0000426500000000, -0.0000039200000000, -0.0001701800000000 ] - [ -0.0003205800000000, -0.0001068000000000, -0.0004506600000000 ] - [ -0.0002168000000000, -0.0007566100000000, 0.0004606700000000 ] - [ 0.0001462900000000, 0.0001263100000000, -0.0002940400000000 ] - [ -0.0000694800000000, 0.0000670200000000, 0.0003265800000000 ] - [ 0.0025644800000000, 0.0040090000000000, 0.0055044700000000 ] - [ 0.0002237100000000, 0.0005804000000000, 0.0000692100000000 ] - [ 0.0000171200000000, -0.0002254300000000, -0.0001750100000000 ] - [ -0.0000247400000000, 0.0000716900000000, -0.0002168200000000 ] - [ -0.0000122500000000, 0.0002860800000000, -0.0006116100000000 ] - [ -0.0006693900000000, 0.0004035300000000, 0.0004999700000000 ] - [ -0.0000173600000000, -0.0000881200000000, -0.0000970100000000 ] - [ 0.0000002200000000, 0.0000569300000000, 0.0000977000000000 ] - [ 0.0002153600000000, -0.0002174800000000, 0.0002568300000000 ] - [ -0.0005349900000000, -0.0018169400000000, 0.0032353500000000 ] - [ 0.0000653900000000, 0.0001137600000000, -0.0001867600000000 ] - [ 0.0000553200000000, -0.0000827700000000, -0.0001447300000000 ] - [ -0.0000241500000000, 0.0000374700000000, -0.0002301500000000 ] - [ -0.0000800200000000, -0.0001862100000000, 0.0002698500000000 ] - [ 0.0000469900000000, 0.0001637800000000, -0.0002526800000000 ] - [ -0.0022577000000000, -0.0037384300000000, 0.0060041900000000 ] - [ 0.0001657000000000, -0.0000344400000000, 0.0002718900000000 ] - [ -0.0000386400000000, 0.0000967700000000, 0.0000754100000000 ] - [ -0.0000064300000000, -0.0000756900000000, -0.0003133900000000 ] - [ 0.0002437900000000, 0.0002270800000000, -0.0004135200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0048338400000000, 0.0042776000000000, 0.0332910100000000 ] - [ -0.0001391400000000, 0.0000306700000000, -0.0002123600000000 ] - [ 0.0001452900000000, -0.0000179300000000, 0.0000135600000000 ] - [ 0.0001379400000000, -0.0000102300000000, -0.0001272000000000 ] - [ -0.0004609500000000, 0.0001413800000000, -0.0020525700000000 ] - [ 0.0000142900000000, 0.0000439400000000, -0.0002126000000000 ] - [ 0.0000452100000000, -0.0000305900000000, 0.0001189600000000 ] - [ 0.0001732800000000, -0.0001691000000000, -0.0002118300000000 ] - [ 0.0000895200000000, 0.0000228600000000, 0.0009057500000000 ] - [ -0.0003181000000000, 0.0003142800000000, -0.0004456800000000 ] - [ -0.0000786600000000, -0.0001058200000000, 0.0000580700000000 ] - [ -0.0000498300000000, 0.0000156900000000, -0.0002344100000000 ] - [ -0.0001657000000000, 0.0000707100000000, -0.0002257100000000 ] - [ -0.0002694300000000, 0.0000655400000000, -0.0002164100000000 ] - [ 0.0002502900000000, -0.0003976200000000, -0.0003828900000000 ] - [ 0.0001404100000000, -0.0000778000000000, 0.0002354000000000 ] - [ -0.0000167600000000, 0.0000069800000000, -0.0005094900000000 ] - [ -0.0006356700000000, -0.0002043200000000, 0.0001598000000000 ] - [ -0.0000357600000000, -0.0000059100000000, -0.0000033700000000 ] - [ -0.0000451100000000, 0.0000327300000000, 0.0003292300000000 ] - [ 0.0000367400000000, 0.0000298600000000, 0.0000931200000000 ] - [ 0.0005274400000000, -0.0001964200000000, -0.0017595300000000 ] - [ -0.0001938400000000, 0.0002681700000000, -0.0000881300000000 ] - [ -0.0000609000000000, -0.0000655700000000, -0.0002320100000000 ] - [ 0.0007453700000000, -0.0001904400000000, -0.0004315000000000 ] - [ 0.0000143400000000, -0.0000400500000000, -0.0003104300000000 ] - [ -0.0000854300000000, -0.0000064100000000, 0.0006508600000000 ] - [ 0.0000284400000000, 0.0000277200000000, -0.0000769900000000 ] - [ 0.0002878600000000, 0.0001751700000000, 0.0004775300000000 ] - [ 0.0001774800000000, -0.0002022700000000, -0.0003787700000000 ] - [ 0.0001722700000000, 0.0003699100000000, 0.0001515400000000 ] - [ 0.0000299300000000, -0.0001679500000000, -0.0001141600000000 ] - [ -0.0005213800000000, -0.0002573300000000, -0.0000961900000000 ] - [ -0.0000604000000000, 0.0000888000000000, -0.0002342200000000 ] - [ -0.0000101900000000, 0.0000077500000000, 0.0000693900000000 ] - [ 0.0001814500000000, 0.0000666100000000, 0.0000855800000000 ] - [ 0.0000254600000000, 0.0000631900000000, 0.0005152300000000 ] - [ 0.0002540700000000, -0.0001361200000000, 0.0000555000000000 ] - [ -0.0001873300000000, 0.0004238100000000, -0.0000389200000000 ] - [ -0.0001941900000000, -0.0000924900000000, -0.0003396400000000 ] - [ -0.0000045900000000, -0.0001630700000000, -0.0004257900000000 ] - [ -0.0001216400000000, -0.0000547900000000, 0.0003535000000000 ] - [ 0.0001510100000000, -0.0000263600000000, -0.0001130700000000 ] - [ 0.0004914400000000, 0.0009820400000000, -0.0002069000000000 ] - [ -0.0001347400000000, 0.0000572500000000, -0.0005120900000000 ] - [ -0.0001295500000000, 0.0000029500000000, -0.0002294700000000 ] - [ -0.0001137700000000, -0.0002689300000000, 0.0003886300000000 ] - [ 0.0000117000000000, 0.0000339900000000, -0.0001157500000000 ] - [ 0.0005065700000000, -0.0007914600000000, -0.0002999500000000 ] - [ -0.0003509600000000, 0.0003640400000000, 0.0001211300000000 ] - [ 0.0000820200000000, -0.0001068800000000, 0.0002004600000000 ] - [ 0.0001059700000000, -0.0001307100000000, -0.0003060300000000 ] - [ 0.0000283700000000, 0.0000362900000000, -0.0001706700000000 ] - [ 0.0003338000000000, 0.0001136100000000, -0.0001142800000000 ] - [ -0.0000837700000000, -0.0000595900000000, 0.0000250600000000 ] - [ -0.0001709800000000, 0.0001011100000000, 0.0001572400000000 ] - [ -0.0001775900000000, 0.0000400100000000, -0.0002726400000000 ] - [ -0.0000222600000000, -0.0000998200000000, -0.0005209800000000 ] - [ 0.0001298000000000, -0.0000476400000000, -0.0001061800000000 ] - [ -0.0001689300000000, -0.0005720300000000, 0.0000641400000000 ] - [ 0.0001001000000000, 0.0000553600000000, -0.0000310800000000 ] - [ 0.0001294200000000, -0.0001270800000000, 0.0000284300000000 ] - [ 0.0000969000000000, 0.0003751100000000, -0.0001986700000000 ] - [ -0.0003828400000000, -0.0001710400000000, 0.0004216100000000 ] - [ -0.0000381800000000, 0.0000989400000000, -0.0001779900000000 ] - [ 0.0000272700000000, 0.0000521200000000, 0.0002323100000000 ] - [ -0.0001470900000000, -0.0001061100000000, 0.0003370100000000 ] - [ 0.0000690100000000, 0.0002005300000000, -0.0004733500000000 ] - [ -0.0002476700000000, 0.0002422100000000, 0.0004050200000000 ] - [ -0.0000838700000000, -0.0000933300000000, 0.0000295100000000 ] - [ 0.0003490200000000, 0.0001136100000000, -0.0001106200000000 ] - [ 0.0000251900000000, 0.0000172100000000, -0.0001576900000000 ] - [ 0.0040907700000000, 0.0029034500000000, -0.0006232900000000 ] - [ -0.0002260500000000, -0.0000969000000000, -0.0004309400000000 ] - [ -0.0001896200000000, 0.0001495800000000, -0.0000386600000000 ] - [ -0.0002036200000000, -0.0000140700000000, -0.0001565000000000 ] - [ -0.0033684100000000, -0.0017017000000000, -0.0013286600000000 ] - [ -0.0001041300000000, -0.0001053400000000, -0.0000781600000000 ] - [ 0.0000299100000000, 0.0000445800000000, 0.0004387200000000 ] - [ 0.0000499700000000, -0.0001017700000000, -0.0005009200000000 ] - [ 0.0000728800000000, 0.0000555200000000, 0.0011097000000000 ] - [ 0.0001753500000000, -0.0000925600000000, -0.0005031200000000 ] - [ -0.0001012500000000, 0.0000393300000000, -0.0001673400000000 ] - [ -0.0001179100000000, -0.0000631400000000, -0.0010493800000000 ] - [ 0.0011401500000000, -0.0006236400000000, 0.0011203000000000 ] - [ 0.0002005500000000, 0.0000264600000000, 0.0003587500000000 ] - [ -0.0001641100000000, -0.0001226500000000, -0.0003426300000000 ] - [ 0.0000471300000000, 0.0005139500000000, 0.0004816300000000 ] - [ 0.0001104400000000, 0.0000193000000000, -0.0005976400000000 ] - [ -0.0010291700000000, 0.0005095200000000, 0.0007694400000000 ] - [ -0.0002828800000000, -0.0004770900000000, 0.0003768700000000 ] - [ -0.0000143200000000, 0.0001408700000000, 0.0001500700000000 ] - [ -0.0048087200000000, -0.0006908700000000, -0.0067506200000000 ] - [ -0.0000187600000000, 0.0000211200000000, 0.0003937300000000 ] - [ 0.0000127200000000, 0.0000646900000000, -0.0001654600000000 ] - [ -0.0000236600000000, -0.0000121000000000, 0.0001803500000000 ] - [ 0.0000378700000000, 0.0002627500000000, 0.0006052300000000 ] - [ 0.0000404700000000, -0.0000216000000000, 0.0001995100000000 ] - [ 0.0000490400000000, 0.0000415100000000, -0.0001859400000000 ] - [ -0.0000490700000000, -0.0000003700000000, -0.0000945500000000 ] - [ -0.0011468800000000, -0.0061120800000000, -0.0063435100000000 ] - [ -0.0000552400000000, 0.0000528600000000, 0.0002796900000000 ] - [ -0.0000111500000000, -0.0001586100000000, -0.0002229500000000 ] - [ 0.0000803400000000, 0.0001096000000000, 0.0002061500000000 ] - [ 0.0001052200000000, 0.0002246700000000, 0.0005933800000000 ] - [ 0.0000020300000000, 0.0006335600000000, -0.0006065100000000 ] - [ 0.0000675100000000, -0.0000058200000000, 0.0001491400000000 ] - [ 0.0002809300000000, -0.0001838800000000, -0.0001841400000000 ] - [ -0.0025340700000000, -0.0039375700000000, -0.0054144900000000 ] - [ -0.0003098300000000, -0.0005361600000000, -0.0000716300000000 ] - [ 0.0000665200000000, 0.0001762200000000, 0.0001704900000000 ] - [ 0.0001080000000000, -0.0000221900000000, 0.0002206900000000 ] - [ -0.0000259000000000, -0.0002628300000000, 0.0004807200000000 ] - [ 0.0006261300000000, -0.0004214300000000, -0.0003711600000000 ] - [ 0.0000559300000000, 0.0001080200000000, 0.0002262500000000 ] - [ 0.0000370700000000, -0.0000779400000000, -0.0002275600000000 ] - [ -0.0003329600000000, 0.0004652700000000, -0.0002202200000000 ] - [ 0.0004321800000000, 0.0014436400000000, -0.0031650000000000 ] - [ 0.0000435500000000, 0.0001304100000000, 0.0001514500000000 ] - [ 0.0000548700000000, -0.0001617500000000, 0.0001794900000000 ] - [ -0.0000710900000000, 0.0001384800000000, 0.0001734400000000 ] - [ -0.0000146600000000, 0.0000105500000000, -0.0002134400000000 ] - [ 0.0000489300000000, 0.0000122700000000, 0.0003098800000000 ] - [ 0.0024645100000000, 0.0036822500000000, -0.0061496500000000 ] - [ -0.0001323400000000, 0.0000603100000000, -0.0000893900000000 ] - [ 0.0000750900000000, -0.0001192100000000, -0.0002550200000000 ] - [ -0.0000294400000000, 0.0000981900000000, 0.0001318400000000 ] - [ -0.0002821700000000, -0.0002522000000000, 0.0005952300000000 ]- atom: 5 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0007861800000000, -0.0001608800000000, 0.0004517400000000 ] - [ -0.0001261400000000, 0.0000131800000000, 0.0000146800000000 ] - [ 0.0002220400000000, -0.0000580900000000, -0.0000443500000000 ] - [ 0.0000617100000000, -0.0002753900000000, 0.0001724800000000 ] - [ -0.0710544200000000, 0.0089258700000000, -0.0242657200000000 ] - [ 0.0008272600000000, 0.0001267000000000, -0.0004355700000000 ] - [ 0.0000754100000000, -0.0000147800000000, 0.0000505200000000 ] - [ -0.0000259100000000, 0.0000317000000000, 0.0000589600000000 ] - [ 0.0000638200000000, -0.0002185900000000, -0.0002327100000000 ] - [ 0.0000551500000000, 0.0000149800000000, 0.0000493300000000 ] - [ 0.0000141700000000, 0.0000333900000000, 0.0000153100000000 ] - [ -0.0004522500000000, 0.0004797300000000, -0.0002246400000000 ] - [ -0.0002016500000000, 0.0000619100000000, -0.0000502800000000 ] - [ -0.0002066100000000, 0.0004863400000000, 0.0006691100000000 ] - [ 0.0001279600000000, 0.0000714000000000, 0.0000361300000000 ] - [ 0.0001580800000000, -0.0000473900000000, 0.0000129800000000 ] - [ -0.0006304500000000, -0.0000082700000000, -0.0001764100000000 ] - [ 0.0003560900000000, 0.0000697500000000, -0.0000738500000000 ] - [ 0.0000028500000000, 0.0000121300000000, 0.0000596700000000 ] - [ -0.0000185300000000, -0.0000222300000000, -0.0000183500000000 ] - [ 0.0005779200000000, -0.0000052500000000, 0.0001648700000000 ] - [ -0.0000214600000000, -0.0000550400000000, 0.0001717600000000 ] - [ -0.0002033500000000, -0.0000114400000000, -0.0000379300000000 ] - [ -0.0000612500000000, -0.0000360500000000, -0.0001256700000000 ] - [ 0.0002348700000000, -0.0007716800000000, -0.0000314500000000 ] - [ 0.0003153900000000, -0.0003016000000000, 0.0003250900000000 ] - [ -0.0003268600000000, 0.0008747500000000, 0.0006459700000000 ] - [ 0.0000031700000000, -0.0000533400000000, 0.0000593400000000 ] - [ 0.0005228900000000, -0.0005809500000000, 0.0005427500000000 ] - [ -0.0001029000000000, -0.0002556200000000, 0.0003147700000000 ] - [ -0.0000577900000000, 0.0002957700000000, -0.0000226000000000 ] - [ 0.0000482400000000, -0.0002068800000000, 0.0000101500000000 ] - [ -0.0001390700000000, 0.0001660000000000, -0.0000448200000000 ] - [ 0.0003941100000000, -0.0001120200000000, -0.0003081800000000 ] - [ 0.0001465900000000, -0.0000020800000000, -0.0000238800000000 ] - [ 0.0000711200000000, 0.0000080200000000, 0.0001904900000000 ] - [ 0.0001474200000000, -0.0000292200000000, -0.0000318900000000 ] - [ 0.0002087000000000, -0.0001036600000000, 0.0002670700000000 ] - [ -0.0002136500000000, 0.0008247100000000, 0.0001107800000000 ] - [ -0.0001100900000000, -0.0000505200000000, -0.0001665700000000 ] - [ -0.0001341400000000, 0.0000839900000000, 0.0001915800000000 ] - [ 0.0000319900000000, -0.0000866900000000, -0.0000026400000000 ] - [ 0.0001380000000000, -0.0000299100000000, 0.0000159300000000 ] - [ -0.0003100600000000, 0.0000402500000000, -0.0001840900000000 ] - [ 0.0005348600000000, -0.0011529000000000, -0.0012026000000000 ] - [ 0.0019446600000000, 0.0004466000000000, 0.0031960000000000 ] - [ -0.0000747000000000, 0.0000827200000000, 0.0003477000000000 ] - [ 0.0000275100000000, 0.0000665100000000, -0.0001703400000000 ] - [ -0.0002372400000000, -0.0001232300000000, -0.0002187800000000 ] - [ -0.0000340100000000, -0.0000561300000000, 0.0002077300000000 ] - [ 0.0003895100000000, -0.0001541800000000, 0.0001137700000000 ] - [ 0.0000454600000000, -0.0000664200000000, -0.0001182000000000 ] - [ -0.0000367200000000, -0.0004569200000000, -0.0003599900000000 ] - [ 0.0011237300000000, 0.0002672000000000, 0.0002424400000000 ] - [ -0.0000223600000000, -0.0000484500000000, 0.0000731300000000 ] - [ -0.0001853600000000, 0.0001112000000000, 0.0000087400000000 ] - [ 0.0005934400000000, -0.0009892400000000, 0.0019051900000000 ] - [ 0.0001045900000000, -0.0001224300000000, -0.0001995900000000 ] - [ 0.0000664100000000, -0.0001039000000000, -0.0001338700000000 ] - [ 0.0000020700000000, 0.0000892700000000, 0.0002573900000000 ] - [ 0.0003199000000000, 0.0000439900000000, 0.0000830300000000 ] - [ 0.0000091400000000, 0.0000201600000000, -0.0001217300000000 ] - [ -0.0000886900000000, 0.0000559200000000, -0.0001586200000000 ] - [ 0.0002842100000000, -0.0002189800000000, 0.0004066600000000 ] - [ 0.0000357000000000, -0.0001296100000000, -0.0001937800000000 ] - [ 0.0000581900000000, -0.0000329800000000, 0.0002132900000000 ] - [ 0.0000222800000000, -0.0001517600000000, 0.0001698300000000 ] - [ -0.0000516700000000, 0.0001221900000000, -0.0002110000000000 ] - [ -0.0000807200000000, -0.0000921000000000, 0.0000430700000000 ] - [ -0.0000012300000000, -0.0000094300000000, 0.0001431100000000 ] - [ 0.0007145600000000, -0.0001658000000000, -0.0000690200000000 ] - [ -0.0000917900000000, 0.0002136400000000, -0.0000277600000000 ] - [ 0.0000274100000000, 0.0001006600000000, -0.0002260400000000 ] - [ 0.0001490400000000, -0.0000479400000000, 0.0000823100000000 ] - [ -0.0000672200000000, 0.0000947000000000, -0.0000972600000000 ] - [ -0.0002603600000000, 0.0000120600000000, -0.0001158300000000 ] - [ 0.0024561900000000, 0.0013995600000000, -0.0035961100000000 ] - [ 0.0000218700000000, -0.0000875500000000, 0.0003525300000000 ] - [ 0.0000789400000000, 0.0000579500000000, 0.0002471100000000 ] - [ -0.0000614700000000, 0.0000308600000000, -0.0002892900000000 ] - [ 0.0007950200000000, 0.0004482400000000, -0.0017033800000000 ] - [ -0.0007069300000000, 0.0002858500000000, -0.0002316300000000 ] - [ -0.0000835300000000, 0.0000668400000000, -0.0002733600000000 ] - [ 0.0003163100000000, -0.0001476700000000, 0.0002374700000000 ] - [ 0.0549368100000000, -0.0175532100000000, 0.0212276700000000 ] - [ 0.0001418600000000, 0.0007527800000000, 0.0009027100000000 ] - [ -0.0002335400000000, -0.0000940400000000, -0.0001961200000000 ] - [ -0.0001224000000000, 0.0000875600000000, 0.0000174700000000 ] - [ -0.0000163100000000, 0.0003885100000000, -0.0007068200000000 ] - [ 0.0000650800000000, 0.0002112000000000, -0.0000513300000000 ] - [ 0.0005630900000000, -0.0003489800000000, 0.0000423800000000 ] - [ -0.0000723300000000, 0.0001233000000000, -0.0000600900000000 ] - [ 0.0012114800000000, 0.0009355700000000, 0.0012771800000000 ] - [ -0.0000545400000000, -0.0000124600000000, -0.0000577000000000 ] - [ -0.0001035600000000, 0.0000485300000000, 0.0000456300000000 ] - [ 0.0004478400000000, -0.0000468900000000, -0.0001341300000000 ] - [ 0.0019885400000000, 0.0009164200000000, 0.0015691600000000 ] - [ -0.0010815900000000, -0.0001672300000000, -0.0001218400000000 ] - [ -0.0000844100000000, -0.0001090400000000, -0.0001941200000000 ] - [ -0.0000091100000000, 0.0000137600000000, 0.0000448500000000 ] - [ 0.0017836500000000, 0.0015428300000000, -0.0014463400000000 ] - [ -0.0002292100000000, -0.0000068300000000, -0.0000914300000000 ] - [ -0.0001268000000000, -0.0001748200000000, -0.0000131400000000 ] - [ 0.0000065100000000, 0.0000646500000000, -0.0000566300000000 ] - [ -0.0000159200000000, 0.0001193900000000, 0.0000958600000000 ] - [ -0.0003334100000000, -0.0005131200000000, -0.0000917800000000 ] - [ 0.0001801700000000, 0.0000578300000000, -0.0000693700000000 ] - [ 0.0000106200000000, 0.0003024900000000, 0.0003178300000000 ] - [ -0.0000638400000000, 0.0000679800000000, -0.0002591200000000 ] - [ -0.0000949800000000, 0.0000134400000000, -0.0000528600000000 ] - [ 0.0001898900000000, 0.0001503800000000, 0.0001730400000000 ] - [ -0.0003279500000000, 0.0006416800000000, -0.0000874400000000 ] - [ 0.0000650600000000, -0.0000465600000000, -0.0000692100000000 ] - [ -0.0010779100000000, 0.0000386500000000, 0.0002466600000000 ] - [ -0.0000117000000000, 0.0000170500000000, 0.0000488900000000 ] - [ 0.0000239300000000, -0.0000293200000000, -0.0000329200000000 ] - [ -0.0001795800000000, 0.0001222800000000, -0.0000817300000000 ] - [ 0.0000348600000000, -0.0000827500000000, -0.0001957900000000 ] - [ -0.0000100500000000, 0.0001371600000000, 0.0000612000000000 ] - [ -0.0000579200000000, -0.0002279000000000, 0.0001646100000000 ] - [ -0.0001274500000000, 0.0002263800000000, -0.0002009800000000 ] - [ 0.0000244000000000, 0.0000760700000000, -0.0000940200000000 ] - [ -0.0000074500000000, 0.0000465300000000, 0.0000319600000000 ] - [ 0.0029421300000000, 0.0022881600000000, 0.0027400700000000 ] - [ -0.0000101400000000, 0.0000833000000000, 0.0000595100000000 ] - [ 0.0000453700000000, -0.0000065500000000, -0.0001629500000000 ] - [ -0.0003027500000000, -0.0004577800000000, 0.0000190100000000 ] - [ 0.0024343600000000, 0.0016220800000000, -0.0012699700000000 ]- atom: 5 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0005433000000000, 0.0001640200000000, -0.0004137500000000 ] - [ -0.0001176800000000, -0.0000196100000000, -0.0000685700000000 ] - [ 0.0000215900000000, 0.0000637200000000, -0.0000085200000000 ] - [ 0.0001831100000000, 0.0002708900000000, -0.0001198200000000 ] - [ 0.0731938700000000, -0.0099900600000000, 0.0252649200000000 ] - [ -0.0008785000000000, -0.0000624300000000, 0.0004622400000000 ] - [ -0.0000206100000000, -0.0000510400000000, -0.0000219000000000 ] - [ 0.0000811300000000, 0.0000344300000000, -0.0000880900000000 ] - [ 0.0000532800000000, 0.0001938100000000, 0.0001986100000000 ] - [ 0.0000601000000000, 0.0000098400000000, -0.0000148900000000 ] - [ -0.0001287000000000, -0.0000582000000000, 0.0000202200000000 ] - [ 0.0003373700000000, -0.0004517800000000, 0.0001883200000000 ] - [ -0.0000983100000000, 0.0000875400000000, 0.0001198000000000 ] - [ -0.0001207600000000, -0.0006225500000000, -0.0007604800000000 ] - [ 0.0001655600000000, 0.0000762200000000, -0.0001024000000000 ] - [ 0.0001356300000000, -0.0001007400000000, 0.0000530600000000 ] - [ 0.0006409900000000, -0.0000061200000000, 0.0001417500000000 ] - [ -0.0003531500000000, -0.0000576700000000, 0.0001188400000000 ] - [ -0.0000077100000000, -0.0000239400000000, -0.0000162800000000 ] - [ 0.0000146400000000, 0.0000345400000000, -0.0000256500000000 ] - [ -0.0004069500000000, 0.0000914900000000, -0.0003268400000000 ] - [ 0.0001920400000000, -0.0000328800000000, -0.0000092700000000 ] - [ 0.0000364300000000, 0.0001008400000000, 0.0002031800000000 ] - [ -0.0001068500000000, -0.0000515700000000, -0.0000384000000000 ] - [ -0.0001833900000000, 0.0008859200000000, 0.0000872300000000 ] - [ -0.0002585800000000, 0.0001905000000000, -0.0003811000000000 ] - [ 0.0002689200000000, -0.0007555600000000, -0.0006955600000000 ] - [ -0.0000604100000000, -0.0000605400000000, -0.0000059600000000 ] - [ -0.0005687100000000, 0.0009850500000000, -0.0005251000000000 ] - [ 0.0000580000000000, -0.0001544000000000, -0.0003285400000000 ] - [ 0.0001048700000000, 0.0001155300000000, 0.0000132300000000 ] - [ -0.0000015400000000, -0.0002042400000000, -0.0000011300000000 ] - [ -0.0000155900000000, -0.0001842100000000, 0.0002220100000000 ] - [ -0.0005535400000000, 0.0001330700000000, 0.0001348700000000 ] - [ 0.0000104500000000, -0.0000179300000000, -0.0001508700000000 ] - [ 0.0000861600000000, 0.0000120200000000, -0.0000168900000000 ] - [ 0.0001308600000000, 0.0001472200000000, -0.0003033500000000 ] - [ 0.0000748900000000, -0.0000110800000000, 0.0000633200000000 ] - [ -0.0000719100000000, -0.0007147000000000, 0.0002206300000000 ] - [ -0.0001738400000000, -0.0000652700000000, -0.0001650700000000 ] - [ -0.0001399600000000, -0.0001738600000000, -0.0001970100000000 ] - [ -0.0003082700000000, 0.0001742900000000, 0.0000062400000000 ] - [ 0.0001370300000000, -0.0000586700000000, -0.0000115200000000 ] - [ 0.0005840900000000, 0.0000479400000000, 0.0001793900000000 ] - [ -0.0005506400000000, 0.0010665400000000, 0.0007873700000000 ] - [ -0.0020067400000000, -0.0004016500000000, -0.0028763000000000 ] - [ 0.0000883400000000, -0.0001600400000000, 0.0000560300000000 ] - [ -0.0000135300000000, 0.0000122300000000, -0.0002335100000000 ] - [ 0.0001150300000000, 0.0001748500000000, -0.0000963900000000 ] - [ -0.0000908400000000, 0.0000076700000000, 0.0001057800000000 ] - [ -0.0002697800000000, 0.0002045200000000, 0.0002008900000000 ] - [ 0.0000791000000000, 0.0000178900000000, -0.0001942500000000 ] - [ 0.0001937200000000, 0.0003456200000000, 0.0003360200000000 ] - [ -0.0009644900000000, -0.0001393800000000, -0.0002045700000000 ] - [ -0.0001350000000000, -0.0000702100000000, -0.0000444500000000 ] - [ 0.0000295600000000, 0.0000073200000000, -0.0000377600000000 ] - [ -0.0007098100000000, 0.0008085900000000, -0.0015999500000000 ] - [ -0.0002178900000000, 0.0003347000000000, -0.0001411000000000 ] - [ 0.0000461400000000, -0.0001106900000000, -0.0002099900000000 ] - [ 0.0001100500000000, 0.0001249800000000, 0.0000856700000000 ] - [ -0.0001192400000000, 0.0000741400000000, 0.0001429600000000 ] - [ 0.0001941500000000, -0.0001370500000000, -0.0001035600000000 ] - [ -0.0001134500000000, 0.0000631000000000, -0.0000669500000000 ] - [ -0.0004875800000000, 0.0001018800000000, -0.0001814100000000 ] - [ 0.0000284900000000, -0.0000240200000000, -0.0002173100000000 ] - [ 0.0000024300000000, 0.0001867800000000, 0.0001946900000000 ] - [ -0.0000844700000000, -0.0000020400000000, 0.0002383900000000 ] - [ -0.0000093700000000, 0.0000302200000000, -0.0001976000000000 ] - [ 0.0000139300000000, 0.0000574800000000, -0.0002678700000000 ] - [ -0.0000660800000000, 0.0000458500000000, 0.0000804300000000 ] - [ -0.0006506100000000, 0.0001318600000000, 0.0002916300000000 ] - [ 0.0001618900000000, -0.0001800400000000, -0.0001978400000000 ] - [ 0.0002979900000000, -0.0000137800000000, 0.0001747200000000 ] - [ 0.0001733500000000, -0.0000390700000000, -0.0000304000000000 ] - [ -0.0002551200000000, -0.0000072700000000, 0.0001514300000000 ] - [ -0.0000614400000000, -0.0000991100000000, 0.0000637700000000 ] - [ -0.0025433300000000, -0.0012852200000000, 0.0031057300000000 ] - [ -0.0000772600000000, -0.0000490400000000, 0.0001851000000000 ] - [ -0.0000238200000000, 0.0000785500000000, 0.0002916900000000 ] - [ 0.0001167800000000, -0.0001660200000000, -0.0002503400000000 ] - [ -0.0006636200000000, -0.0002766200000000, 0.0021399700000000 ] - [ 0.0008524000000000, -0.0004675000000000, -0.0001895500000000 ] - [ -0.0000565700000000, 0.0001134100000000, -0.0001464500000000 ] - [ -0.0004534500000000, -0.0000325300000000, 0.0001844700000000 ] - [ -0.0568005200000000, 0.0182460300000000, -0.0218968300000000 ] - [ 0.0001963000000000, -0.0005936100000000, -0.0012156200000000 ] - [ -0.0000966800000000, -0.0000635700000000, -0.0001149900000000 ] - [ -0.0002069600000000, 0.0000703500000000, 0.0002946000000000 ] - [ 0.0000809000000000, -0.0006494600000000, 0.0005461400000000 ] - [ -0.0000104600000000, 0.0000495500000000, 0.0002123100000000 ] - [ -0.0006227500000000, 0.0000879800000000, 0.0001163800000000 ] - [ 0.0000164100000000, 0.0001399600000000, -0.0000999100000000 ] - [ -0.0012401500000000, -0.0009100700000000, -0.0012925500000000 ] - [ 0.0000411800000000, -0.0000170500000000, 0.0000762600000000 ] - [ 0.0001166800000000, -0.0000192800000000, -0.0000282100000000 ] - [ -0.0004336500000000, 0.0000155400000000, 0.0001171200000000 ] - [ -0.0019641800000000, -0.0009712100000000, -0.0014115000000000 ] - [ 0.0011169200000000, 0.0002581000000000, -0.0000129000000000 ] - [ 0.0000644900000000, 0.0000210200000000, 0.0000543700000000 ] - [ -0.0000104500000000, 0.0000742700000000, 0.0000955800000000 ] - [ -0.0018895300000000, -0.0016402400000000, 0.0014778400000000 ] - [ 0.0001101200000000, 0.0001110800000000, 0.0000532200000000 ] - [ 0.0002486600000000, 0.0000695100000000, -0.0000258100000000 ] - [ 0.0001152800000000, 0.0000403500000000, 0.0000967800000000 ] - [ -0.0002012200000000, 0.0000031900000000, 0.0000481200000000 ] - [ 0.0001135600000000, 0.0003910000000000, -0.0000502400000000 ] - [ 0.0000368300000000, 0.0000636200000000, -0.0000742000000000 ] - [ 0.0002065400000000, -0.0004319000000000, -0.0001813600000000 ] - [ -0.0000237200000000, -0.0001117000000000, 0.0002663600000000 ] - [ 0.0000048300000000, 0.0000325300000000, 0.0000483400000000 ] - [ -0.0000989400000000, -0.0001976700000000, -0.0001797500000000 ] - [ 0.0004202400000000, -0.0006086000000000, 0.0001008600000000 ] - [ -0.0001029500000000, 0.0000653800000000, -0.0000605200000000 ] - [ 0.0010484100000000, -0.0000530600000000, -0.0001235700000000 ] - [ 0.0000484500000000, 0.0000022100000000, 0.0000806100000000 ] - [ 0.0000128500000000, 0.0000090200000000, -0.0000970000000000 ] - [ 0.0000720500000000, 0.0001231000000000, 0.0001203100000000 ] - [ -0.0001427600000000, -0.0001643800000000, 0.0001615000000000 ] - [ 0.0001182100000000, 0.0001069000000000, -0.0001000500000000 ] - [ 0.0001664700000000, -0.0000177200000000, -0.0001273300000000 ] - [ 0.0000373900000000, -0.0000567600000000, 0.0001436400000000 ] - [ -0.0001138100000000, -0.0002484200000000, 0.0001523500000000 ] - [ 0.0000992900000000, 0.0001255300000000, 0.0000271700000000 ] - [ -0.0028080800000000, -0.0023839300000000, -0.0027125000000000 ] - [ 0.0000519900000000, -0.0000656600000000, 0.0001228900000000 ] - [ -0.0000040400000000, -0.0000116700000000, -0.0000178600000000 ] - [ 0.0002609500000000, 0.0004816400000000, -0.0002054100000000 ] - [ -0.0024527300000000, -0.0015886400000000, 0.0013852200000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003120200000000, -0.0005434400000000, -0.0001497600000000 ] - [ -0.0000567100000000, -0.0001055100000000, -0.0000373200000000 ] - [ 0.0000919400000000, 0.0002679200000000, -0.0000243300000000 ] - [ 0.0001663300000000, 0.0004662500000000, -0.0001754700000000 ] - [ 0.0094046000000000, -0.0367968800000000, 0.0053959900000000 ] - [ -0.0001190200000000, -0.0000540000000000, 0.0001547100000000 ] - [ 0.0000090500000000, 0.0000985600000000, 0.0000115100000000 ] - [ 0.0000258900000000, 0.0001061400000000, -0.0000315100000000 ] - [ 0.0001317800000000, -0.0003615800000000, -0.0000360200000000 ] - [ 0.0000180100000000, -0.0000510700000000, 0.0000230100000000 ] - [ 0.0000529800000000, 0.0002874600000000, -0.0000103200000000 ] - [ -0.0001469900000000, 0.0004930700000000, -0.0002146700000000 ] - [ -0.0008835200000000, 0.0003629100000000, 0.0005764800000000 ] - [ -0.0009440400000000, -0.0007320400000000, -0.0003321200000000 ] - [ 0.0001755300000000, 0.0001308000000000, -0.0000592400000000 ] - [ 0.0001553100000000, 0.0000692400000000, -0.0000148800000000 ] - [ -0.0000563100000000, -0.0009882000000000, 0.0000377100000000 ] - [ 0.0000258700000000, -0.0000921400000000, -0.0000586400000000 ] - [ -0.0000185400000000, 0.0000999800000000, 0.0000360300000000 ] - [ -0.0001629400000000, 0.0003391900000000, 0.0002486300000000 ] - [ 0.0001459700000000, -0.0000862100000000, -0.0001209600000000 ] - [ 0.0000707800000000, -0.0002687000000000, 0.0000205400000000 ] - [ -0.0001453000000000, 0.0003696300000000, 0.0001556200000000 ] - [ -0.0001126600000000, 0.0001420800000000, -0.0000833300000000 ] - [ -0.0005273900000000, 0.0005894200000000, -0.0000418100000000 ] - [ -0.0003432400000000, -0.0006777800000000, -0.0002776400000000 ] - [ 0.0000052500000000, 0.0002324700000000, 0.0001530000000000 ] - [ -0.0000632300000000, 0.0000452200000000, 0.0000314600000000 ] - [ -0.0000458500000000, -0.0001740700000000, 0.0000677700000000 ] - [ -0.0001112200000000, -0.0004844300000000, 0.0000372600000000 ] - [ 0.0001059200000000, 0.0006304600000000, -0.0000077300000000 ] - [ 0.0000007200000000, -0.0000649100000000, -0.0000245900000000 ] - [ 0.0003621800000000, 0.0010619400000000, 0.0003346100000000 ] - [ 0.0004221200000000, -0.0001081200000000, -0.0003943700000000 ] - [ 0.0001335800000000, -0.0000326100000000, -0.0000325500000000 ] - [ 0.0001033900000000, 0.0000283300000000, 0.0001575200000000 ] - [ -0.0002588200000000, 0.0002772800000000, -0.0004867400000000 ] - [ 0.0000816400000000, -0.0001832700000000, 0.0000925400000000 ] - [ 0.0001776700000000, 0.0014477700000000, 0.0003117500000000 ] - [ -0.0001184800000000, 0.0000900500000000, -0.0001016500000000 ] - [ -0.0002328700000000, -0.0004500100000000, -0.0003832200000000 ] - [ -0.0002296000000000, 0.0000555200000000, -0.0001406200000000 ] - [ 0.0001357100000000, 0.0000704000000000, 0.0000541800000000 ] - [ 0.0002856100000000, 0.0009878200000000, 0.0009453400000000 ] - [ -0.0002690800000000, -0.0001563400000000, 0.0000358400000000 ] - [ 0.0015092700000000, -0.0010132100000000, 0.0020344700000000 ] - [ 0.0000688800000000, 0.0001328500000000, 0.0002206700000000 ] - [ -0.0000059300000000, 0.0001636500000000, -0.0002198400000000 ] - [ 0.0001903700000000, 0.0002337400000000, -0.0004338300000000 ] - [ -0.0000247300000000, 0.0000546300000000, 0.0002252000000000 ] - [ -0.0000924600000000, -0.0000863900000000, 0.0003299800000000 ] - [ 0.0002108200000000, -0.0001631300000000, 0.0002183300000000 ] - [ 0.0006370300000000, 0.0001209500000000, 0.0006929800000000 ] - [ 0.0001542500000000, -0.0000684600000000, 0.0000894300000000 ] - [ -0.0000832900000000, -0.0000581400000000, 0.0000096900000000 ] - [ -0.0000032400000000, 0.0001783600000000, -0.0000568200000000 ] - [ -0.0030514200000000, 0.0007636300000000, -0.0047623600000000 ] - [ -0.0001560200000000, 0.0001945900000000, -0.0001466400000000 ] - [ 0.0000604100000000, -0.0000137800000000, -0.0002125300000000 ] - [ 0.0000590800000000, 0.0001582300000000, 0.0003107200000000 ] - [ 0.0001316500000000, 0.0000012300000000, 0.0000708900000000 ] - [ 0.0002433000000000, 0.0001854900000000, -0.0000975700000000 ] - [ -0.0001387300000000, 0.0001250900000000, -0.0000945300000000 ] - [ 0.0003504300000000, -0.0001631100000000, 0.0005884600000000 ] - [ 0.0003970800000000, -0.0000581500000000, -0.0005246000000000 ] - [ 0.0000185000000000, 0.0000476900000000, 0.0000266300000000 ] - [ -0.0000318600000000, -0.0002290500000000, 0.0000927100000000 ] - [ 0.0000002800000000, 0.0000556200000000, -0.0002110700000000 ] - [ 0.0000318800000000, 0.0000678700000000, -0.0001023700000000 ] - [ -0.0000562800000000, -0.0000348400000000, 0.0000959200000000 ] - [ -0.0000380200000000, -0.0000551900000000, -0.0000549500000000 ] - [ 0.0000465600000000, 0.0001034300000000, -0.0003634900000000 ] - [ 0.0001689800000000, -0.0000170800000000, -0.0002616200000000 ] - [ 0.0001572600000000, -0.0001654100000000, -0.0000162800000000 ] - [ -0.0001801800000000, 0.0002647200000000, 0.0000909200000000 ] - [ -0.0001878600000000, 0.0003024800000000, -0.0000816300000000 ] - [ 0.0012328900000000, -0.0001246600000000, -0.0018330000000000 ] - [ -0.0000111200000000, -0.0002178100000000, 0.0002866500000000 ] - [ 0.0000561500000000, 0.0002352300000000, 0.0002518800000000 ] - [ 0.0000438500000000, 0.0001606900000000, -0.0003972800000000 ] - [ 0.0009106600000000, 0.0033414500000000, 0.0013078800000000 ] - [ 0.0005305000000000, 0.0001621000000000, 0.0000032200000000 ] - [ -0.0000612200000000, -0.0001181100000000, -0.0002166100000000 ] - [ -0.0004889300000000, -0.0007915000000000, -0.0006869100000000 ] - [ -0.0161650900000000, 0.0116446700000000, -0.0055805200000000 ] - [ 0.0002818500000000, 0.0002172600000000, -0.0002050600000000 ] - [ -0.0001898200000000, -0.0002212900000000, -0.0001356200000000 ] - [ -0.0002335100000000, -0.0000655700000000, 0.0001691600000000 ] - [ 0.0001905000000000, 0.0001167000000000, -0.0001995100000000 ] - [ 0.0001750400000000, 0.0006664700000000, 0.0002001200000000 ] - [ 0.0005278100000000, -0.0010985600000000, -0.0002504100000000 ] - [ -0.0000765800000000, -0.0000161200000000, -0.0001419100000000 ] - [ 0.0003988900000000, 0.0007715900000000, 0.0005862300000000 ] - [ -0.0000031300000000, 0.0000567100000000, 0.0000000900000000 ] - [ -0.0000940700000000, -0.0003374500000000, -0.0000370500000000 ] - [ -0.0001183900000000, -0.0005685900000000, 0.0000424800000000 ] - [ 0.0008449500000000, 0.0068831900000000, 0.0048051400000000 ] - [ -0.0001372800000000, 0.0007758400000000, 0.0001265100000000 ] - [ -0.0000525200000000, -0.0001438600000000, -0.0001169600000000 ] - [ -0.0000572100000000, -0.0001221800000000, 0.0000430300000000 ] - [ 0.0008116600000000, 0.0041037700000000, -0.0026914500000000 ] - [ -0.0000891600000000, 0.0003247900000000, 0.0000408600000000 ] - [ -0.0002346600000000, -0.0003130300000000, -0.0002508900000000 ] - [ 0.0000486200000000, -0.0001705400000000, 0.0000353400000000 ] - [ -0.0001579200000000, 0.0001898900000000, 0.0002239000000000 ] - [ -0.0002537700000000, -0.0002435200000000, 0.0000225200000000 ] - [ 0.0001321600000000, -0.0001402200000000, -0.0002128900000000 ] - [ 0.0003960800000000, -0.0002245700000000, -0.0001671600000000 ] - [ -0.0000091100000000, 0.0001180200000000, -0.0000500700000000 ] - [ -0.0001082700000000, -0.0000523900000000, 0.0001081600000000 ] - [ 0.0001086100000000, -0.0005019100000000, -0.0000858600000000 ] - [ 0.0008875500000000, -0.0005754000000000, -0.0000439400000000 ] - [ -0.0000160700000000, 0.0002085600000000, -0.0002516400000000 ] - [ -0.0002118700000000, 0.0005317100000000, -0.0001711400000000 ] - [ -0.0000378400000000, -0.0001134600000000, 0.0001529200000000 ] - [ -0.0000159700000000, -0.0003703700000000, -0.0000161000000000 ] - [ -0.0001793500000000, 0.0002961800000000, 0.0000626200000000 ] - [ 0.0000050200000000, -0.0000261700000000, 0.0001862700000000 ] - [ -0.0000764300000000, -0.0003148200000000, -0.0000867800000000 ] - [ -0.0001269100000000, -0.0004806800000000, 0.0002514600000000 ] - [ 0.0000669500000000, 0.0000062500000000, 0.0001345700000000 ] - [ 0.0000007500000000, -0.0005455000000000, 0.0001562200000000 ] - [ -0.0000183300000000, 0.0000327600000000, -0.0001688800000000 ] - [ 0.0029896100000000, 0.0054161100000000, 0.0048289000000000 ] - [ 0.0000800100000000, 0.0000632100000000, 0.0000704700000000 ] - [ 0.0000291500000000, -0.0001455100000000, 0.0000102100000000 ] - [ -0.0002266300000000, -0.0001378900000000, -0.0001440400000000 ] - [ 0.0011858900000000, 0.0044915600000000, -0.0030640400000000 ]- atom: 5 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000681100000000, 0.0005493800000000, 0.0001990300000000 ] - [ -0.0001853700000000, 0.0001019500000000, -0.0000142500000000 ] - [ 0.0001500100000000, -0.0002647300000000, -0.0000276600000000 ] - [ 0.0000748800000000, -0.0004724200000000, 0.0002282600000000 ] - [ -0.0094955300000000, 0.0370961300000000, -0.0052948600000000 ] - [ 0.0000721700000000, 0.0001251600000000, -0.0001292700000000 ] - [ 0.0000435600000000, -0.0001679200000000, 0.0000170800000000 ] - [ 0.0000267500000000, -0.0000370000000000, 0.0000038700000000 ] - [ -0.0000188700000000, 0.0003360300000000, -0.0000016700000000 ] - [ 0.0000947400000000, 0.0000772500000000, 0.0000139000000000 ] - [ -0.0001659400000000, -0.0003134700000000, 0.0000472600000000 ] - [ 0.0000340600000000, -0.0004720800000000, 0.0001804700000000 ] - [ 0.0005929200000000, -0.0002158900000000, -0.0005134300000000 ] - [ 0.0006391500000000, 0.0005867200000000, 0.0002669700000000 ] - [ 0.0001209400000000, 0.0000176400000000, -0.0000057200000000 ] - [ 0.0001408400000000, -0.0002183500000000, 0.0000808200000000 ] - [ 0.0000668900000000, 0.0009737500000000, -0.0000723000000000 ] - [ -0.0000120300000000, 0.0001099100000000, 0.0001012300000000 ] - [ 0.0000065000000000, -0.0001168800000000, 0.0000075400000000 ] - [ 0.0001493100000000, -0.0003212700000000, -0.0002910200000000 ] - [ 0.0000295500000000, 0.0001766300000000, -0.0000419600000000 ] - [ 0.0001010800000000, 0.0001780100000000, 0.0001451900000000 ] - [ -0.0000273200000000, -0.0002802200000000, 0.0000090600000000 ] - [ -0.0000591800000000, -0.0002328500000000, -0.0000819400000000 ] - [ 0.0005751900000000, -0.0004739100000000, 0.0000945300000000 ] - [ 0.0003926200000000, 0.0005654500000000, 0.0002250200000000 ] - [ -0.0000533800000000, -0.0001256900000000, -0.0002099700000000 ] - [ 0.0000140900000000, -0.0001574700000000, 0.0000230400000000 ] - [ 0.0000026900000000, 0.0005723800000000, -0.0000565100000000 ] - [ 0.0000655900000000, 0.0000730200000000, -0.0000409500000000 ] - [ -0.0000599400000000, -0.0002195000000000, 0.0000018000000000 ] - [ 0.0000452600000000, -0.0003469000000000, 0.0000308300000000 ] - [ -0.0005246300000000, -0.0010937000000000, -0.0001653800000000 ] - [ -0.0005784500000000, 0.0001240800000000, 0.0002176800000000 ] - [ 0.0000249900000000, 0.0000154300000000, -0.0001443300000000 ] - [ 0.0000546300000000, -0.0000106400000000, 0.0000185500000000 ] - [ 0.0005430000000000, -0.0001645400000000, 0.0001564900000000 ] - [ 0.0001992600000000, 0.0000682100000000, 0.0002403600000000 ] - [ -0.0004508300000000, -0.0013214200000000, 0.0000181900000000 ] - [ -0.0001620300000000, -0.0002052700000000, -0.0002308700000000 ] - [ -0.0000427100000000, 0.0003583700000000, 0.0003833300000000 ] - [ -0.0000458000000000, 0.0000349700000000, 0.0001402200000000 ] - [ 0.0001398500000000, -0.0001623000000000, -0.0000540700000000 ] - [ -0.0000061100000000, -0.0008943300000000, -0.0009400900000000 ] - [ 0.0002555000000000, 0.0000741400000000, -0.0004405800000000 ] - [ -0.0015136700000000, 0.0010954800000000, -0.0016296800000000 ] - [ -0.0000553000000000, -0.0002117400000000, 0.0001798800000000 ] - [ 0.0000190100000000, -0.0000854500000000, -0.0001802700000000 ] - [ -0.0003194200000000, -0.0001808400000000, 0.0001215000000000 ] - [ -0.0001032200000000, -0.0001078300000000, 0.0000864700000000 ] - [ 0.0002218000000000, 0.0001393500000000, -0.0000192700000000 ] - [ -0.0000834300000000, 0.0001101500000000, -0.0005315100000000 ] - [ -0.0004862700000000, -0.0002391200000000, -0.0007269100000000 ] - [ -0.0000077800000000, 0.0001850500000000, -0.0000638700000000 ] - [ -0.0000736200000000, -0.0000573200000000, 0.0000182400000000 ] - [ -0.0001540800000000, -0.0000628500000000, 0.0000303900000000 ] - [ 0.0029329000000000, -0.0009731400000000, 0.0050695400000000 ] - [ 0.0000433700000000, 0.0000214000000000, -0.0001931300000000 ] - [ 0.0000527500000000, -0.0002030800000000, -0.0001272300000000 ] - [ 0.0000542200000000, 0.0000584600000000, 0.0000303700000000 ] - [ 0.0000715600000000, 0.0001181100000000, 0.0001525500000000 ] - [ -0.0000421100000000, -0.0003068500000000, -0.0001258800000000 ] - [ -0.0000641400000000, -0.0000055800000000, -0.0001290200000000 ] - [ -0.0005517500000000, 0.0000427700000000, -0.0003648200000000 ] - [ -0.0003382400000000, -0.0000970200000000, 0.0001218000000000 ] - [ 0.0000418100000000, 0.0001047500000000, 0.0003791300000000 ] - [ -0.0000296300000000, 0.0000761200000000, 0.0003126900000000 ] - [ -0.0000616300000000, 0.0000972800000000, -0.0001939500000000 ] - [ -0.0000988700000000, -0.0001064300000000, -0.0001232300000000 ] - [ -0.0000103600000000, 0.0000730800000000, 0.0001304200000000 ] - [ 0.0001043600000000, 0.0000178400000000, 0.0002802200000000 ] - [ 0.0000206400000000, -0.0000635900000000, 0.0001393900000000 ] - [ 0.0001539400000000, 0.0001014600000000, 0.0002124700000000 ] - [ 0.0001658400000000, 0.0000823600000000, 0.0000664000000000 ] - [ -0.0001425300000000, -0.0001820600000000, -0.0000421500000000 ] - [ -0.0001353500000000, -0.0003864200000000, 0.0000318400000000 ] - [ -0.0012778300000000, 0.0002692700000000, 0.0012848800000000 ] - [ -0.0000441000000000, 0.0000840500000000, 0.0002543300000000 ] - [ -0.0000007400000000, -0.0001013000000000, 0.0002885000000000 ] - [ 0.0000113000000000, -0.0002958800000000, -0.0001422300000000 ] - [ -0.0007740100000000, -0.0031580300000000, -0.0009008400000000 ] - [ -0.0003932100000000, -0.0003362600000000, -0.0004194400000000 ] - [ -0.0000762500000000, 0.0002958700000000, -0.0002031200000000 ] - [ 0.0003483800000000, 0.0006144500000000, 0.0011030400000000 ] - [ 0.0163990100000000, -0.0119416600000000, 0.0058748200000000 ] - [ 0.0000428000000000, -0.0000564600000000, -0.0001092000000000 ] - [ -0.0001375400000000, 0.0000617700000000, -0.0001816300000000 ] - [ -0.0000935400000000, 0.0002254600000000, 0.0001469800000000 ] - [ -0.0001359100000000, -0.0003733200000000, 0.0000385900000000 ] - [ -0.0001212100000000, -0.0004026100000000, -0.0000450200000000 ] - [ -0.0005792700000000, 0.0008339500000000, 0.0004060500000000 ] - [ 0.0000224800000000, 0.0002794400000000, -0.0000150400000000 ] - [ -0.0004142600000000, -0.0007369900000000, -0.0005992900000000 ] - [ -0.0000144100000000, -0.0000889400000000, 0.0000185400000000 ] - [ 0.0001107800000000, 0.0003710000000000, 0.0000572000000000 ] - [ 0.0001355400000000, 0.0005391000000000, -0.0000629900000000 ] - [ -0.0008307500000000, -0.0071839300000000, -0.0048881700000000 ] - [ 0.0001533400000000, -0.0006899100000000, -0.0002684300000000 ] - [ 0.0000333100000000, 0.0000570600000000, -0.0000236300000000 ] - [ 0.0000372200000000, 0.0002098400000000, 0.0000969900000000 ] - [ -0.0009369900000000, -0.0043294900000000, 0.0028767800000000 ] - [ -0.0000344500000000, -0.0002194100000000, -0.0000771100000000 ] - [ 0.0003570500000000, 0.0002075000000000, 0.0002140200000000 ] - [ 0.0000741900000000, 0.0002773200000000, 0.0000005700000000 ] - [ -0.0000538100000000, -0.0000690400000000, -0.0000799300000000 ] - [ 0.0000402200000000, 0.0001211000000000, -0.0001677400000000 ] - [ 0.0000815200000000, 0.0002608600000000, 0.0000686400000000 ] - [ -0.0001828400000000, 0.0001067300000000, 0.0003130600000000 ] - [ -0.0000739600000000, -0.0001667600000000, 0.0000537200000000 ] - [ 0.0000245800000000, 0.0001018500000000, -0.0001131500000000 ] - [ -0.0000261700000000, 0.0004543700000000, 0.0000808300000000 ] - [ -0.0008061500000000, 0.0006276500000000, 0.0000484400000000 ] - [ -0.0000219600000000, -0.0001904500000000, 0.0001226700000000 ] - [ 0.0001700800000000, -0.0005540700000000, 0.0003037100000000 ] - [ 0.0000761200000000, 0.0001344900000000, -0.0000243500000000 ] - [ 0.0000540500000000, 0.0003508600000000, -0.0001132000000000 ] - [ 0.0000692900000000, -0.0000521600000000, -0.0000282200000000 ] - [ -0.0001138900000000, -0.0002193800000000, -0.0002225500000000 ] - [ 0.0001864300000000, 0.0005613600000000, 0.0000530100000000 ] - [ 0.0002358300000000, 0.0002363500000000, -0.0002145500000000 ] - [ -0.0001627200000000, 0.0001704200000000, -0.0001920600000000 ] - [ -0.0000964600000000, 0.0003710700000000, -0.0000987900000000 ] - [ 0.0001143800000000, 0.0001427700000000, 0.0002263800000000 ] - [ -0.0028212200000000, -0.0055594500000000, -0.0047780600000000 ] - [ -0.0000435500000000, -0.0000387200000000, 0.0001094000000000 ] - [ 0.0000073400000000, 0.0001234200000000, -0.0001915600000000 ] - [ 0.0001911600000000, 0.0001578800000000, -0.0000347700000000 ] - [ -0.0011559500000000, -0.0044632700000000, 0.0031476600000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002968300000000, -0.0000117700000000, 0.0020653800000000 ] - [ -0.0001785900000000, 0.0000490200000000, 0.0002006300000000 ] - [ 0.0001218700000000, -0.0000138700000000, -0.0001314300000000 ] - [ 0.0001685700000000, -0.0004561200000000, 0.0002243200000000 ] - [ -0.0247763800000000, 0.0052925200000000, -0.0430667100000000 ] - [ 0.0004208900000000, 0.0001761100000000, -0.0002575000000000 ] - [ 0.0000636300000000, -0.0000301100000000, 0.0000698400000000 ] - [ -0.0000462600000000, 0.0000506400000000, 0.0002185300000000 ] - [ -0.0001119800000000, 0.0001363300000000, 0.0001092600000000 ] - [ 0.0000504800000000, 0.0000372300000000, 0.0002538300000000 ] - [ -0.0000400300000000, -0.0000126700000000, -0.0001387800000000 ] - [ 0.0000438300000000, -0.0005973100000000, 0.0002500400000000 ] - [ -0.0007140500000000, 0.0002845700000000, 0.0002679300000000 ] - [ -0.0004546600000000, 0.0001063600000000, -0.0012544500000000 ] - [ 0.0001793500000000, 0.0000513300000000, 0.0002318900000000 ] - [ 0.0001081500000000, -0.0001259600000000, 0.0001129300000000 ] - [ -0.0001649200000000, 0.0001189400000000, 0.0017092600000000 ] - [ 0.0000383600000000, -0.0000042200000000, -0.0001776100000000 ] - [ -0.0000074000000000, -0.0000040400000000, 0.0001608800000000 ] - [ -0.0001196500000000, 0.0002315100000000, 0.0002014300000000 ] - [ -0.0000080600000000, 0.0000005200000000, -0.0000354200000000 ] - [ -0.0000101500000000, 0.0000149500000000, 0.0006066200000000 ] - [ -0.0001582700000000, 0.0000664500000000, -0.0002530400000000 ] - [ -0.0001009500000000, -0.0000430600000000, -0.0001078400000000 ] - [ 0.0001256000000000, -0.0001285700000000, -0.0006197600000000 ] - [ 0.0003544300000000, -0.0000938900000000, 0.0003186200000000 ] - [ -0.0001801000000000, 0.0006710700000000, 0.0004755000000000 ] - [ -0.0000060500000000, -0.0000479400000000, 0.0001913300000000 ] - [ 0.0001255000000000, 0.0002120900000000, -0.0003687600000000 ] - [ 0.0000736700000000, -0.0000584300000000, 0.0005191300000000 ] - [ 0.0001175100000000, 0.0004857600000000, -0.0001874100000000 ] - [ 0.0000470100000000, -0.0002674700000000, 0.0001102600000000 ] - [ -0.0001675000000000, 0.0002489100000000, -0.0002283000000000 ] - [ -0.0004123500000000, -0.0000726600000000, 0.0000469000000000 ] - [ 0.0000695900000000, -0.0000120000000000, -0.0000183400000000 ] - [ 0.0000757200000000, 0.0000126700000000, 0.0002869000000000 ] - [ 0.0004887600000000, -0.0002243600000000, 0.0001385900000000 ] - [ 0.0003045200000000, -0.0001081000000000, 0.0005123300000000 ] - [ -0.0000650200000000, 0.0001442400000000, -0.0005341700000000 ] - [ -0.0000991300000000, -0.0000178100000000, -0.0001754600000000 ] - [ -0.0000079100000000, -0.0000196100000000, 0.0005811200000000 ] - [ -0.0001412200000000, 0.0000124700000000, -0.0001590600000000 ] - [ 0.0001359600000000, 0.0000107900000000, 0.0000886800000000 ] - [ 0.0002119900000000, 0.0009038700000000, 0.0003208000000000 ] - [ -0.0003064400000000, -0.0001234700000000, -0.0008943600000000 ] - [ 0.0030242300000000, 0.0007296800000000, 0.0021945800000000 ] - [ -0.0000059400000000, 0.0000528700000000, 0.0004286400000000 ] - [ -0.0000028200000000, 0.0000434300000000, -0.0000435400000000 ] - [ -0.0003312800000000, -0.0001003800000000, 0.0002241800000000 ] - [ -0.0000784400000000, -0.0001800800000000, 0.0003014200000000 ] - [ 0.0001762700000000, -0.0003037100000000, 0.0001023700000000 ] - [ 0.0000761400000000, -0.0000708200000000, -0.0002452600000000 ] - [ 0.0004741600000000, -0.0000484100000000, 0.0000717300000000 ] - [ 0.0005626200000000, 0.0003427500000000, -0.0003498900000000 ] - [ -0.0000389800000000, -0.0000332900000000, 0.0001862000000000 ] - [ -0.0002005100000000, 0.0000471200000000, 0.0000287100000000 ] - [ 0.0029757100000000, -0.0030561600000000, 0.0030041300000000 ] - [ -0.0000099400000000, 0.0000447600000000, -0.0004724400000000 ] - [ 0.0000564300000000, -0.0001559400000000, -0.0000269200000000 ] - [ 0.0000500200000000, 0.0001588300000000, 0.0004340600000000 ] - [ 0.0000928200000000, 0.0000841800000000, 0.0000463600000000 ] - [ 0.0001530800000000, -0.0000389400000000, -0.0002412200000000 ] - [ -0.0000268000000000, -0.0000844700000000, -0.0000106500000000 ] - [ 0.0003132000000000, -0.0000856000000000, 0.0006486500000000 ] - [ 0.0000385500000000, -0.0000303200000000, -0.0003992000000000 ] - [ -0.0000802500000000, 0.0000217700000000, 0.0005611800000000 ] - [ -0.0000135500000000, -0.0001956500000000, 0.0000544200000000 ] - [ -0.0000901100000000, 0.0002120500000000, -0.0002407100000000 ] - [ -0.0000505000000000, -0.0003346000000000, 0.0000466300000000 ] - [ 0.0000036300000000, 0.0000504700000000, 0.0001406500000000 ] - [ 0.0003053600000000, 0.0001935600000000, -0.0001707900000000 ] - [ 0.0000538100000000, 0.0000547400000000, -0.0000895900000000 ] - [ -0.0000531900000000, -0.0002017600000000, 0.0002573200000000 ] - [ 0.0002224100000000, -0.0000344300000000, 0.0002847100000000 ] - [ -0.0000649800000000, 0.0001706000000000, -0.0002249600000000 ] - [ -0.0002515200000000, -0.0000852800000000, -0.0001413700000000 ] - [ -0.0026580200000000, -0.0013806800000000, 0.0011450600000000 ] - [ -0.0000039400000000, -0.0000200700000000, 0.0005374700000000 ] - [ 0.0000205500000000, 0.0001112900000000, 0.0001694800000000 ] - [ 0.0000166700000000, -0.0002259800000000, -0.0000507400000000 ] - [ -0.0006088100000000, -0.0001131100000000, -0.0021870900000000 ] - [ -0.0001008400000000, -0.0000302700000000, 0.0002811400000000 ] - [ -0.0000832900000000, 0.0000891300000000, -0.0005410600000000 ] - [ -0.0002061200000000, -0.0006524400000000, -0.0004190600000000 ] - [ 0.0202335800000000, -0.0059016000000000, 0.0138834300000000 ] - [ 0.0001880300000000, 0.0004532100000000, 0.0006318900000000 ] - [ -0.0001584700000000, -0.0000538000000000, -0.0002852100000000 ] - [ -0.0001838700000000, -0.0000107700000000, -0.0002548800000000 ] - [ -0.0001005500000000, -0.0001808200000000, 0.0001283600000000 ] - [ -0.0000360700000000, 0.0000464400000000, -0.0005188600000000 ] - [ -0.0001155800000000, -0.0004764700000000, 0.0007651200000000 ] - [ -0.0000414800000000, 0.0001222200000000, -0.0000852500000000 ] - [ 0.0009544700000000, -0.0002220600000000, -0.0010334600000000 ] - [ -0.0000199500000000, -0.0000524700000000, -0.0003662400000000 ] - [ 0.0000160200000000, -0.0000088100000000, 0.0000954300000000 ] - [ 0.0000991400000000, 0.0005052000000000, -0.0001396100000000 ] - [ 0.0012528700000000, 0.0052018000000000, 0.0066545800000000 ] - [ -0.0006723400000000, 0.0002707700000000, 0.0006220200000000 ] - [ -0.0000866500000000, -0.0001298200000000, -0.0002776400000000 ] - [ 0.0000069100000000, -0.0000187200000000, -0.0001155700000000 ] - [ -0.0008419200000000, -0.0025245300000000, 0.0037651900000000 ] - [ -0.0002207100000000, -0.0000195400000000, -0.0003192300000000 ] - [ -0.0000275600000000, -0.0001937700000000, 0.0000957200000000 ] - [ 0.0000081600000000, 0.0000769000000000, -0.0001749800000000 ] - [ 0.0002311000000000, 0.0002834200000000, -0.0004489900000000 ] - [ 0.0000319400000000, 0.0004176500000000, 0.0001056100000000 ] - [ 0.0001635700000000, -0.0000402500000000, -0.0002086100000000 ] - [ 0.0002335000000000, -0.0002216200000000, 0.0001832100000000 ] - [ -0.0002953500000000, -0.0001195100000000, -0.0006724300000000 ] - [ 0.0000156100000000, 0.0001477600000000, -0.0002695800000000 ] - [ 0.0001219500000000, -0.0000561500000000, 0.0002319200000000 ] - [ -0.0008921400000000, 0.0004926100000000, 0.0007345000000000 ] - [ -0.0000025900000000, -0.0003756000000000, -0.0005776900000000 ] - [ 0.0004009800000000, -0.0001471700000000, 0.0001992000000000 ] - [ 0.0000808000000000, 0.0000704600000000, -0.0001097400000000 ] - [ 0.0000489300000000, 0.0000014900000000, 0.0000898000000000 ] - [ 0.0000318200000000, 0.0001130900000000, -0.0003583200000000 ] - [ -0.0001700800000000, 0.0001549300000000, -0.0006590400000000 ] - [ -0.0000568400000000, 0.0001665800000000, 0.0001945100000000 ] - [ 0.0001476300000000, 0.0000058100000000, 0.0002908000000000 ] - [ -0.0002111700000000, 0.0002853300000000, -0.0003518900000000 ] - [ -0.0000968400000000, 0.0000471200000000, 0.0001667600000000 ] - [ -0.0000451000000000, -0.0000595200000000, -0.0001497400000000 ] - [ 0.0032927200000000, 0.0042372000000000, 0.0054792800000000 ] - [ 0.0000562800000000, -0.0000192900000000, -0.0002047600000000 ] - [ 0.0000359500000000, 0.0000275100000000, -0.0003057500000000 ] - [ -0.0002483200000000, -0.0005408800000000, 0.0002931000000000 ] - [ -0.0015357400000000, -0.0035440600000000, 0.0063179600000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000522600000000, 0.0000168000000000, -0.0019859000000000 ] - [ -0.0000647900000000, -0.0000551000000000, -0.0002534000000000 ] - [ 0.0001217300000000, 0.0000192700000000, 0.0000780100000000 ] - [ 0.0000748300000000, 0.0004497900000000, -0.0001706000000000 ] - [ 0.0247409500000000, -0.0053991200000000, 0.0430115400000000 ] - [ -0.0004769600000000, -0.0001072800000000, 0.0002893900000000 ] - [ -0.0000087300000000, -0.0000362500000000, -0.0000409200000000 ] - [ 0.0001007500000000, 0.0000158000000000, -0.0002466200000000 ] - [ 0.0002265800000000, -0.0001621200000000, -0.0001461400000000 ] - [ 0.0000650400000000, -0.0000127200000000, -0.0002183900000000 ] - [ -0.0000749800000000, -0.0000115400000000, 0.0001736900000000 ] - [ -0.0001599600000000, 0.0006190900000000, -0.0002824500000000 ] - [ 0.0004224000000000, -0.0001367000000000, -0.0002024100000000 ] - [ 0.0001666100000000, -0.0002546200000000, 0.0011917900000000 ] - [ 0.0001140600000000, 0.0000967700000000, -0.0002971500000000 ] - [ 0.0001852300000000, -0.0000221000000000, -0.0000467200000000 ] - [ 0.0001718300000000, -0.0001312500000000, -0.0017698600000000 ] - [ -0.0000338100000000, 0.0000179700000000, 0.0002204600000000 ] - [ 0.0000023400000000, -0.0000081400000000, -0.0001169100000000 ] - [ 0.0001142200000000, -0.0002189500000000, -0.0002454100000000 ] - [ 0.0001779800000000, 0.0000880900000000, -0.0001298500000000 ] - [ 0.0001785500000000, -0.0001030000000000, -0.0004409600000000 ] - [ -0.0000105300000000, 0.0000205600000000, 0.0004168600000000 ] - [ -0.0000672700000000, -0.0000447900000000, -0.0000565000000000 ] - [ -0.0000649400000000, 0.0002378100000000, 0.0006710200000000 ] - [ -0.0002945600000000, -0.0000207300000000, -0.0003691000000000 ] - [ 0.0001210100000000, -0.0005552100000000, -0.0005290400000000 ] - [ -0.0000509500000000, -0.0000655800000000, -0.0001370200000000 ] - [ -0.0001751500000000, 0.0002029100000000, 0.0003751600000000 ] - [ -0.0001211800000000, -0.0003532000000000, -0.0005262400000000 ] - [ -0.0000707600000000, -0.0000741000000000, 0.0001778900000000 ] - [ -0.0000005000000000, -0.0001434400000000, -0.0001013000000000 ] - [ 0.0000107600000000, -0.0002651600000000, 0.0004023000000000 ] - [ 0.0002549100000000, 0.0000925100000000, -0.0002203900000000 ] - [ 0.0000878200000000, -0.0000076400000000, -0.0001565700000000 ] - [ 0.0000812700000000, 0.0000073600000000, -0.0001116700000000 ] - [ -0.0002021700000000, 0.0003385300000000, -0.0004692800000000 ] - [ -0.0000204500000000, -0.0000074400000000, -0.0001801800000000 ] - [ -0.0002211000000000, -0.0000326300000000, 0.0008637000000000 ] - [ -0.0001845500000000, -0.0000972300000000, -0.0001561900000000 ] - [ -0.0002672300000000, -0.0000678100000000, -0.0005836900000000 ] - [ -0.0001329600000000, 0.0000771700000000, 0.0001625700000000 ] - [ 0.0001388900000000, -0.0000991400000000, -0.0000840600000000 ] - [ 0.0000637300000000, -0.0008168300000000, -0.0003269600000000 ] - [ 0.0002848800000000, 0.0000591300000000, 0.0005007300000000 ] - [ -0.0030642000000000, -0.0006694500000000, -0.0017995400000000 ] - [ 0.0000196600000000, -0.0001311500000000, -0.0000248400000000 ] - [ 0.0000164800000000, 0.0000351800000000, -0.0003595300000000 ] - [ 0.0002051300000000, 0.0001488100000000, -0.0005390600000000 ] - [ -0.0000460400000000, 0.0001303000000000, 0.0000124200000000 ] - [ -0.0000477200000000, 0.0003499600000000, 0.0002127700000000 ] - [ 0.0000483200000000, 0.0000210300000000, -0.0000683600000000 ] - [ -0.0003195000000000, -0.0000702900000000, -0.0001011100000000 ] - [ -0.0003951900000000, -0.0002198700000000, 0.0003799500000000 ] - [ -0.0001178700000000, -0.0000849900000000, -0.0001569300000000 ] - [ 0.0000417200000000, 0.0000709700000000, -0.0000568700000000 ] - [ -0.0030996600000000, 0.0028869300000000, -0.0026735300000000 ] - [ -0.0001019800000000, 0.0001731700000000, 0.0001282000000000 ] - [ 0.0000558000000000, -0.0000587800000000, -0.0003161100000000 ] - [ 0.0000621500000000, 0.0000559300000000, -0.0000901800000000 ] - [ 0.0001109300000000, 0.0000338700000000, 0.0001789300000000 ] - [ 0.0000490200000000, -0.0000783800000000, 0.0000155400000000 ] - [ -0.0001759800000000, 0.0002023500000000, -0.0002150500000000 ] - [ -0.0005135100000000, -0.0000328300000000, -0.0004207300000000 ] - [ 0.0000233900000000, -0.0001241600000000, -0.0000099300000000 ] - [ 0.0001441300000000, 0.0001324100000000, -0.0001509200000000 ] - [ -0.0000478700000000, 0.0000410100000000, 0.0003534500000000 ] - [ 0.0000281900000000, -0.0000582500000000, -0.0001683200000000 ] - [ -0.0000163300000000, 0.0002961900000000, -0.0002692500000000 ] - [ -0.0000706800000000, -0.0000138100000000, 0.0000834700000000 ] - [ -0.0002314100000000, -0.0002279600000000, 0.0003912800000000 ] - [ 0.0000145500000000, -0.0000175700000000, -0.0001332000000000 ] - [ 0.0003746600000000, 0.0002890800000000, -0.0003117000000000 ] - [ 0.0001006500000000, -0.0000524700000000, -0.0002312100000000 ] - [ -0.0002568400000000, -0.0000813100000000, 0.0002760400000000 ] - [ -0.0000711200000000, -0.0000016300000000, 0.0000884700000000 ] - [ 0.0025960200000000, 0.0015099300000000, -0.0016957700000000 ] - [ -0.0000509000000000, -0.0001159100000000, 0.0000025400000000 ] - [ 0.0000346900000000, 0.0000247500000000, 0.0003693900000000 ] - [ 0.0000383500000000, 0.0000898100000000, -0.0004880100000000 ] - [ 0.0007551000000000, 0.0002894300000000, 0.0026037900000000 ] - [ 0.0002354300000000, -0.0001543200000000, -0.0006948400000000 ] - [ -0.0000563700000000, 0.0000908600000000, 0.0001201900000000 ] - [ 0.0000670700000000, 0.0004729000000000, 0.0008397900000000 ] - [ -0.0201402700000000, 0.0058093500000000, -0.0134809600000000 ] - [ 0.0001367100000000, -0.0003039400000000, -0.0009523700000000 ] - [ -0.0001718300000000, -0.0001033900000000, -0.0000266400000000 ] - [ -0.0001456500000000, 0.0001677100000000, 0.0005655300000000 ] - [ 0.0001551100000000, -0.0000834400000000, -0.0002847500000000 ] - [ 0.0000939200000000, 0.0002159800000000, 0.0006772400000000 ] - [ 0.0000576600000000, 0.0002154300000000, -0.0006035400000000 ] - [ -0.0000146400000000, 0.0001404100000000, -0.0000747800000000 ] - [ -0.0009554100000000, 0.0002576800000000, 0.0010232400000000 ] - [ 0.0000047900000000, 0.0000228800000000, 0.0003830500000000 ] - [ -0.0000022000000000, 0.0000374200000000, -0.0000782900000000 ] - [ -0.0000853700000000, -0.0005340400000000, 0.0001220600000000 ] - [ -0.0012384500000000, -0.0054845600000000, -0.0066317700000000 ] - [ 0.0006909200000000, -0.0001816600000000, -0.0007632300000000 ] - [ 0.0000670300000000, 0.0000418700000000, 0.0001376200000000 ] - [ -0.0000266000000000, 0.0001068300000000, 0.0002549700000000 ] - [ 0.0007194700000000, 0.0022859100000000, -0.0036333600000000 ] - [ 0.0000988900000000, 0.0001244600000000, 0.0002783500000000 ] - [ 0.0001494300000000, 0.0000878200000000, -0.0001344300000000 ] - [ 0.0001129000000000, 0.0000277800000000, 0.0002144200000000 ] - [ -0.0004492100000000, -0.0001630300000000, 0.0005931700000000 ] - [ -0.0002494000000000, -0.0005409700000000, -0.0002480600000000 ] - [ 0.0000545000000000, 0.0001621000000000, 0.0000647200000000 ] - [ -0.0000179200000000, 0.0001028600000000, -0.0000380200000000 ] - [ 0.0002038000000000, 0.0000713700000000, 0.0006743700000000 ] - [ -0.0001049800000000, -0.0001018300000000, 0.0002638700000000 ] - [ -0.0000328400000000, 0.0000110900000000, -0.0002366000000000 ] - [ 0.0009818700000000, -0.0004421100000000, -0.0007321200000000 ] - [ -0.0000340100000000, 0.0003969700000000, 0.0004490500000000 ] - [ -0.0004422500000000, 0.0001289300000000, -0.0000674300000000 ] - [ -0.0000433200000000, -0.0000510100000000, 0.0002386300000000 ] - [ -0.0000116400000000, -0.0000204300000000, -0.0002188000000000 ] - [ -0.0001403200000000, 0.0001325700000000, 0.0003960000000000 ] - [ 0.0000625300000000, -0.0003975300000000, 0.0006187300000000 ] - [ 0.0001644100000000, 0.0000786800000000, -0.0002324600000000 ] - [ -0.0000382600000000, -0.0002512400000000, -0.0002531100000000 ] - [ 0.0001200700000000, -0.0001133700000000, 0.0002929100000000 ] - [ 0.0000057800000000, -0.0002165100000000, -0.0001084200000000 ] - [ 0.0001367000000000, 0.0002295600000000, 0.0002069600000000 ] - [ -0.0030742000000000, -0.0042810400000000, -0.0054339400000000 ] - [ -0.0000148600000000, 0.0000376600000000, 0.0003864500000000 ] - [ 0.0000055700000000, -0.0000445400000000, 0.0001233200000000 ] - [ 0.0002080300000000, 0.0005578300000000, -0.0004757600000000 ] - [ 0.0016101800000000, 0.0036620700000000, -0.0062702600000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0019458700000000, -0.0019377600000000, -0.0000006800000000 ] - [ -0.0001517400000000, 0.0005020600000000, -0.0004012100000000 ] - [ 0.0001846500000000, -0.0000423500000000, -0.0000039400000000 ] - [ 0.0000591900000000, -0.0000385500000000, 0.0000331800000000 ] - [ -0.0000204900000000, 0.0000388800000000, -0.0001841400000000 ] - [ -0.0000279300000000, 0.0000755900000000, 0.0000208200000000 ] - [ 0.0000971000000000, -0.0001467000000000, 0.0000314900000000 ] - [ -0.0003713500000000, -0.0000535700000000, -0.0001163800000000 ] - [ -0.0476160500000000, 0.0310661600000000, 0.0018297700000000 ] - [ 0.0001761200000000, 0.0000975300000000, 0.0000536700000000 ] - [ -0.0001056900000000, -0.0000849500000000, 0.0000178200000000 ] - [ -0.0000319900000000, -0.0000654800000000, -0.0000158700000000 ] - [ -0.0001098300000000, 0.0001226600000000, 0.0000449200000000 ] - [ -0.0004964800000000, -0.0000023100000000, 0.0001355800000000 ] - [ 0.0004913700000000, 0.0001414900000000, 0.0002409400000000 ] - [ 0.0001235000000000, -0.0001032700000000, 0.0000536900000000 ] - [ 0.0000129700000000, 0.0000194700000000, -0.0000240100000000 ] - [ -0.0003158900000000, 0.0008037900000000, 0.0006967500000000 ] - [ 0.0000278800000000, -0.0000435900000000, -0.0000065100000000 ] - [ -0.0004196200000000, -0.0000502600000000, 0.0000048400000000 ] - [ 0.0003837900000000, 0.0007138700000000, 0.0000713800000000 ] - [ 0.0000713300000000, 0.0000522000000000, 0.0002300500000000 ] - [ -0.0004990400000000, -0.0000324100000000, 0.0002173700000000 ] - [ -0.0000732600000000, -0.0000434000000000, -0.0000908700000000 ] - [ 0.0001257500000000, 0.0000915000000000, -0.0000168700000000 ] - [ -0.0000068700000000, -0.0000234300000000, -0.0000184400000000 ] - [ 0.0002769100000000, 0.0000488400000000, -0.0000832700000000 ] - [ -0.0000757600000000, -0.0000793500000000, 0.0000508800000000 ] - [ 0.0005739600000000, 0.0002651000000000, -0.0001776500000000 ] - [ -0.0000547700000000, -0.0001258700000000, -0.0000052400000000 ] - [ 0.0001159300000000, 0.0003863500000000, 0.0000536200000000 ] - [ 0.0000338300000000, -0.0002377300000000, 0.0000285100000000 ] - [ -0.0001100600000000, -0.0001780600000000, 0.0000878200000000 ] - [ -0.0000386200000000, 0.0000016400000000, -0.0000794500000000 ] - [ 0.0010079000000000, -0.0005158800000000, -0.0001622300000000 ] - [ 0.0001681200000000, -0.0001324000000000, 0.0001508000000000 ] - [ 0.0003683900000000, -0.0000566600000000, -0.0002144700000000 ] - [ -0.0002107500000000, -0.0000307200000000, -0.0000434100000000 ] - [ 0.0002929600000000, 0.0001431700000000, -0.0002616000000000 ] - [ -0.0001456400000000, -0.0000712900000000, -0.0001592900000000 ] - [ -0.0002021600000000, -0.0000290000000000, -0.0000292300000000 ] - [ -0.0000650100000000, 0.0000990600000000, 0.0000560500000000 ] - [ 0.0001263700000000, -0.0000349000000000, -0.0000084000000000 ] - [ 0.0003785200000000, 0.0013080900000000, -0.0009294000000000 ] - [ -0.0000437500000000, 0.0000752000000000, -0.0001764200000000 ] - [ -0.0000390300000000, 0.0001203700000000, 0.0001973900000000 ] - [ 0.0000395500000000, 0.0000880100000000, 0.0001285000000000 ] - [ 0.0000284000000000, -0.0000853600000000, -0.0001984200000000 ] - [ -0.0004499800000000, -0.0000710200000000, 0.0003588400000000 ] - [ 0.0001800000000000, -0.0001878700000000, -0.0000870900000000 ] - [ 0.0004647400000000, 0.0002862700000000, 0.0000269200000000 ] - [ 0.0000504000000000, 0.0000065500000000, -0.0003359600000000 ] - [ 0.0000269300000000, -0.0000332100000000, -0.0000270300000000 ] - [ 0.0005277600000000, -0.0002353100000000, 0.0002623700000000 ] - [ -0.0000397800000000, -0.0001484600000000, -0.0001865300000000 ] - [ -0.0001148200000000, 0.0000460900000000, 0.0001004900000000 ] - [ -0.0001373000000000, -0.0000828600000000, 0.0001902000000000 ] - [ 0.0000066000000000, 0.0001289700000000, -0.0001651400000000 ] - [ 0.0000165000000000, -0.0001355500000000, -0.0001736400000000 ] - [ 0.0000828300000000, 0.0010199200000000, 0.0008816100000000 ] - [ 0.0001153300000000, 0.0000413300000000, 0.0001169500000000 ] - [ 0.0001377800000000, -0.0001346100000000, -0.0001018000000000 ] - [ -0.0000619400000000, -0.0002152900000000, 0.0000962000000000 ] - [ 0.0016346700000000, -0.0006527800000000, -0.0000534700000000 ] - [ -0.0000544100000000, 0.0000517100000000, -0.0003145700000000 ] - [ 0.0000399900000000, 0.0000693700000000, 0.0001231300000000 ] - [ 0.0019850600000000, -0.0005148100000000, 0.0001670000000000 ] - [ -0.0001262700000000, 0.0002163200000000, -0.0001803900000000 ] - [ 0.0000369800000000, -0.0001168800000000, -0.0003597500000000 ] - [ 0.0000834500000000, 0.0000268800000000, 0.0002073600000000 ] - [ 0.0000247400000000, -0.0001129700000000, 0.0003650200000000 ] - [ 0.0000549600000000, -0.0000480100000000, -0.0000762000000000 ] - [ -0.0003407600000000, -0.0018901000000000, 0.0001071400000000 ] - [ 0.0006051300000000, -0.0000336100000000, 0.0001510500000000 ] - [ -0.0003339800000000, -0.0002253000000000, 0.0001583100000000 ] - [ -0.0001633100000000, -0.0001152600000000, -0.0000270500000000 ] - [ -0.0005403000000000, -0.0012747300000000, -0.0009939900000000 ] - [ 0.0000295300000000, -0.0000286100000000, 0.0002119500000000 ] - [ 0.0000878400000000, -0.0000548000000000, 0.0003275200000000 ] - [ -0.0000092300000000, -0.0001508600000000, -0.0002518900000000 ] - [ 0.0000561400000000, 0.0000178200000000, 0.0002118300000000 ] - [ -0.0001391900000000, -0.0001604100000000, -0.0002311600000000 ] - [ -0.0000495200000000, 0.0001546100000000, -0.0001727200000000 ] - [ -0.0001983700000000, -0.0005301100000000, 0.0001350500000000 ] - [ 0.0004421500000000, -0.0004039300000000, 0.0004058900000000 ] - [ 0.0001696400000000, 0.0000168600000000, -0.0001801600000000 ] - [ -0.0001360500000000, 0.0000156300000000, -0.0001971200000000 ] - [ 0.0000260900000000, -0.0004734100000000, -0.0004414000000000 ] - [ -0.0005659100000000, -0.0003106300000000, -0.0001749600000000 ] - [ 0.0003340200000000, -0.0000570900000000, 0.0000269000000000 ] - [ 0.0002581400000000, -0.0008229700000000, 0.0008520600000000 ] - [ -0.0000485300000000, 0.0001415700000000, -0.0000667900000000 ] - [ 0.0335091600000000, -0.0306275200000000, -0.0027456400000000 ] - [ -0.0001760900000000, -0.0001315800000000, 0.0000863600000000 ] - [ -0.0000630500000000, 0.0001501200000000, -0.0000364400000000 ] - [ 0.0000959600000000, 0.0000547400000000, -0.0000202500000000 ] - [ -0.0000542500000000, -0.0000795800000000, 0.0001406000000000 ] - [ 0.0000466100000000, 0.0000369700000000, -0.0002340700000000 ] - [ -0.0002205100000000, 0.0001263900000000, 0.0000904900000000 ] - [ 0.0000911600000000, 0.0001141800000000, 0.0000657800000000 ] - [ -0.0004362600000000, 0.0006850200000000, 0.0007584000000000 ] - [ -0.0000343200000000, 0.0000570200000000, 0.0001215300000000 ] - [ -0.0002172000000000, 0.0000699600000000, -0.0001193000000000 ] - [ 0.0001289700000000, 0.0000826000000000, -0.0000001700000000 ] - [ -0.0001927100000000, 0.0001236100000000, 0.0000714600000000 ] - [ 0.0003351800000000, 0.0000790200000000, -0.0001172000000000 ] - [ 0.0000280400000000, 0.0000295500000000, -0.0000817300000000 ] - [ 0.0016086300000000, 0.0005417800000000, -0.0010068200000000 ] - [ -0.0007719000000000, -0.0003645900000000, -0.0003710700000000 ] - [ 0.0005184600000000, 0.0002354200000000, -0.0000828100000000 ] - [ -0.0000694100000000, -0.0000273000000000, 0.0000156000000000 ] - [ 0.0000858900000000, 0.0000611200000000, -0.0000840700000000 ] - [ -0.0001075000000000, -0.0000335500000000, -0.0001291400000000 ] - [ 0.0039301500000000, 0.0021379900000000, 0.0026714500000000 ] - [ -0.0000914700000000, 0.0000071900000000, 0.0000678700000000 ] - [ 0.0001989900000000, 0.0001090200000000, -0.0000224500000000 ] - [ 0.0018259000000000, 0.0008788900000000, -0.0012469500000000 ] - [ -0.0002979300000000, 0.0003021700000000, -0.0006265400000000 ] - [ 0.0001957500000000, 0.0002057600000000, -0.0000052600000000 ] - [ -0.0000898900000000, -0.0001553900000000, 0.0000154800000000 ] - [ -0.0000105700000000, 0.0001417300000000, 0.0000309300000000 ] - [ -0.0002421100000000, -0.0000950200000000, 0.0000707700000000 ] - [ 0.0001995700000000, 0.0000427000000000, 0.0000105900000000 ] - [ -0.0008230900000000, -0.0003483900000000, 0.0003012200000000 ] - [ 0.0013211000000000, 0.0005530900000000, 0.0008497500000000 ] - [ -0.0000997800000000, -0.0000228400000000, -0.0001336700000000 ] - [ 0.0001342600000000, -0.0000203500000000, -0.0001147400000000 ] - [ -0.0001021200000000, 0.0000458600000000, 0.0000966100000000 ]- atom: 9 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0021351100000000, 0.0019109600000000, 0.0000532400000000 ] - [ -0.0000900500000000, -0.0005076600000000, 0.0003508100000000 ] - [ 0.0000575000000000, 0.0000452700000000, -0.0000474600000000 ] - [ 0.0001816100000000, 0.0000340400000000, 0.0000188000000000 ] - [ -0.0000330300000000, -0.0001067300000000, 0.0001540100000000 ] - [ -0.0000248700000000, -0.0000061400000000, 0.0000068300000000 ] - [ -0.0000438200000000, 0.0000773200000000, -0.0000029300000000 ] - [ 0.0004202500000000, 0.0001223000000000, 0.0000867900000000 ] - [ 0.0472025800000000, -0.0297969700000000, -0.0017132400000000 ] - [ -0.0000633100000000, -0.0000717600000000, -0.0000169700000000 ] - [ -0.0000075100000000, 0.0000577700000000, 0.0000194600000000 ] - [ -0.0000810200000000, 0.0000907600000000, -0.0000210500000000 ] - [ -0.0001866100000000, 0.0000260900000000, 0.0000199200000000 ] - [ 0.0001982600000000, -0.0001436700000000, -0.0001936900000000 ] - [ -0.0001935900000000, 0.0000081100000000, -0.0003039300000000 ] - [ 0.0001726600000000, -0.0000470900000000, 0.0000122500000000 ] - [ -0.0000015500000000, -0.0000355100000000, -0.0000199000000000 ] - [ 0.0003277500000000, -0.0007916100000000, -0.0006567300000000 ] - [ -0.0000392700000000, 0.0000267300000000, 0.0000497100000000 ] - [ 0.0004006000000000, 0.0000583100000000, -0.0000475500000000 ] - [ -0.0002103300000000, -0.0006200900000000, -0.0002354700000000 ] - [ 0.0000993500000000, -0.0001420200000000, -0.0000636700000000 ] - [ 0.0003229200000000, 0.0001226000000000, -0.0000507900000000 ] - [ -0.0000987400000000, -0.0000474100000000, -0.0000744800000000 ] - [ -0.0000753000000000, 0.0000203200000000, 0.0000703400000000 ] - [ 0.0000564700000000, -0.0000881200000000, -0.0000364600000000 ] - [ -0.0003242700000000, 0.0000624900000000, 0.0000310600000000 ] - [ 0.0000257700000000, -0.0000334200000000, 0.0000032700000000 ] - [ -0.0006158300000000, 0.0001465000000000, 0.0001824100000000 ] - [ 0.0000079900000000, -0.0002843000000000, -0.0000014900000000 ] - [ -0.0000700500000000, 0.0000271500000000, -0.0000584400000000 ] - [ 0.0000121100000000, -0.0001740100000000, -0.0000226700000000 ] - [ -0.0000531700000000, 0.0001674900000000, 0.0000930900000000 ] - [ -0.0001197200000000, 0.0000157700000000, -0.0000966500000000 ] - [ -0.0008635900000000, 0.0005209400000000, -0.0000150200000000 ] - [ -0.0000099200000000, 0.0001481300000000, 0.0000256500000000 ] - [ -0.0000870900000000, 0.0001697200000000, -0.0001175300000000 ] - [ 0.0004884500000000, -0.0000812100000000, 0.0003663900000000 ] - [ -0.0005705500000000, -0.0000270600000000, 0.0005897200000000 ] - [ -0.0001352200000000, -0.0000441800000000, -0.0001734100000000 ] - [ -0.0000747000000000, -0.0000623500000000, 0.0000279900000000 ] - [ -0.0002104900000000, -0.0000077900000000, -0.0000550500000000 ] - [ 0.0001491300000000, -0.0000570200000000, 0.0000085600000000 ] - [ -0.0000983600000000, -0.0012062600000000, 0.0009171800000000 ] - [ 0.0000300900000000, -0.0001525700000000, -0.0002249200000000 ] - [ 0.0000253500000000, -0.0000407000000000, 0.0002027800000000 ] - [ -0.0000270700000000, -0.0001653500000000, 0.0002709700000000 ] - [ -0.0000138500000000, 0.0001603200000000, -0.0002023000000000 ] - [ 0.0003206200000000, 0.0001226100000000, -0.0006697300000000 ] - [ -0.0003073400000000, 0.0001336100000000, 0.0003978300000000 ] - [ -0.0003351500000000, -0.0002335800000000, 0.0002866900000000 ] - [ 0.0000764800000000, -0.0000592800000000, 0.0000234900000000 ] - [ 0.0001286800000000, -0.0000821300000000, -0.0000020400000000 ] - [ -0.0003721800000000, 0.0003511300000000, -0.0002360800000000 ] - [ -0.0001144200000000, 0.0000329800000000, 0.0002112300000000 ] - [ -0.0000427800000000, 0.0000690500000000, -0.0001258600000000 ] - [ 0.0000234400000000, -0.0001332200000000, 0.0001502900000000 ] - [ -0.0001197400000000, 0.0000869000000000, -0.0001769600000000 ] - [ 0.0000964400000000, -0.0000819700000000, -0.0001666400000000 ] - [ 0.0000314300000000, -0.0007977600000000, -0.0005330500000000 ] - [ 0.0000876100000000, 0.0000782700000000, 0.0001063100000000 ] - [ 0.0000649900000000, 0.0000142800000000, -0.0001216600000000 ] - [ -0.0001416500000000, 0.0003351200000000, -0.0003201900000000 ] - [ -0.0018656500000000, 0.0005280900000000, 0.0002732400000000 ] - [ 0.0001172700000000, -0.0002080500000000, -0.0000933900000000 ] - [ 0.0000209300000000, 0.0000832300000000, 0.0002822000000000 ] - [ -0.0020818300000000, 0.0003791000000000, 0.0002517900000000 ] - [ 0.0000643100000000, -0.0000627700000000, -0.0002260200000000 ] - [ -0.0001048200000000, 0.0000790200000000, 0.0001347300000000 ] - [ -0.0001490700000000, 0.0000110100000000, 0.0000197200000000 ] - [ 0.0000432300000000, 0.0000743100000000, -0.0001410600000000 ] - [ 0.0000120600000000, 0.0000854500000000, -0.0001498000000000 ] - [ 0.0006571300000000, 0.0019478700000000, -0.0001356800000000 ] - [ -0.0002790400000000, -0.0000483700000000, -0.0001008500000000 ] - [ 0.0000109500000000, 0.0003092500000000, -0.0001086000000000 ] - [ -0.0001598800000000, 0.0000314700000000, -0.0000227900000000 ] - [ 0.0004851800000000, 0.0013807600000000, 0.0004275000000000 ] - [ -0.0000850900000000, -0.0001054000000000, 0.0003284400000000 ] - [ -0.0000307700000000, 0.0001847800000000, 0.0002139400000000 ] - [ 0.0000640700000000, 0.0000161100000000, -0.0002884900000000 ] - [ 0.0000802000000000, 0.0001552500000000, 0.0002083300000000 ] - [ 0.0002764000000000, -0.0000128200000000, -0.0001863800000000 ] - [ -0.0000862600000000, 0.0000206400000000, -0.0002438000000000 ] - [ 0.0000677100000000, 0.0003560400000000, 0.0002821300000000 ] - [ -0.0001096700000000, 0.0002405500000000, -0.0000880000000000 ] - [ 0.0001569700000000, 0.0001425300000000, -0.0001353700000000 ] - [ -0.0001922500000000, -0.0001742400000000, -0.0001209000000000 ] - [ -0.0003498500000000, 0.0006329600000000, 0.0007573700000000 ] - [ 0.0006182200000000, 0.0000488200000000, 0.0000197100000000 ] - [ -0.0002734900000000, 0.0003165500000000, 0.0001291200000000 ] - [ -0.0003083200000000, 0.0005588700000000, -0.0006944100000000 ] - [ -0.0000054700000000, 0.0001212500000000, -0.0000882900000000 ] - [ -0.0328516600000000, 0.0295699100000000, 0.0025952200000000 ] - [ 0.0001611200000000, 0.0000983800000000, -0.0000652200000000 ] - [ 0.0000782200000000, -0.0001159500000000, 0.0000546200000000 ] - [ -0.0000779900000000, -0.0000865900000000, -0.0000007300000000 ] - [ 0.0000734600000000, -0.0000080200000000, 0.0000010000000000 ] - [ -0.0000283100000000, 0.0000486700000000, 0.0000938600000000 ] - [ 0.0001987100000000, -0.0002109900000000, -0.0002315800000000 ] - [ -0.0001103700000000, -0.0000247900000000, 0.0000764700000000 ] - [ 0.0003105000000000, -0.0007817500000000, -0.0007152600000000 ] - [ -0.0000901400000000, 0.0000471600000000, -0.0001565900000000 ] - [ 0.0003386700000000, -0.0001761900000000, 0.0000840700000000 ] - [ -0.0000059400000000, 0.0000240100000000, 0.0000365200000000 ] - [ -0.0000209600000000, -0.0000035300000000, 0.0000735400000000 ] - [ -0.0005480200000000, -0.0001962900000000, -0.0000294000000000 ] - [ 0.0001850100000000, 0.0000905800000000, -0.0000629200000000 ] - [ -0.0014072700000000, -0.0006826600000000, 0.0011684200000000 ] - [ 0.0006829300000000, 0.0003081400000000, 0.0003687400000000 ] - [ -0.0006010200000000, -0.0001845000000000, 0.0000786900000000 ] - [ 0.0001518900000000, -0.0000209600000000, -0.0000198200000000 ] - [ -0.0000026500000000, -0.0000107400000000, 0.0000873800000000 ] - [ 0.0000690600000000, 0.0000538500000000, 0.0000002000000000 ] - [ -0.0040197600000000, -0.0022356800000000, -0.0026328000000000 ] - [ 0.0001286400000000, 0.0000133200000000, 0.0000615900000000 ] - [ -0.0001600700000000, -0.0001266400000000, -0.0001089500000000 ] - [ -0.0019729800000000, -0.0006882400000000, 0.0013466900000000 ] - [ 0.0001880700000000, -0.0005404900000000, 0.0005843500000000 ] - [ -0.0000857300000000, 0.0000398600000000, -0.0000298200000000 ] - [ 0.0001992300000000, -0.0000894400000000, 0.0000196500000000 ] - [ -0.0000849100000000, 0.0000355600000000, -0.0000857500000000 ] - [ 0.0001462600000000, -0.0000797100000000, -0.0000140100000000 ] - [ -0.0001041000000000, 0.0001328600000000, 0.0000461600000000 ] - [ 0.0009150300000000, 0.0001665000000000, -0.0003516400000000 ] - [ -0.0012957800000000, -0.0005472700000000, -0.0006828200000000 ] - [ 0.0001356300000000, 0.0000005300000000, -0.0000474100000000 ] - [ -0.0001707800000000, 0.0000435700000000, -0.0000647500000000 ] - [ 0.0000655800000000, -0.0000687900000000, 0.0000848600000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006441600000000, -0.0009415600000000, -0.0000112300000000 ] - [ 0.0000558300000000, 0.0001349600000000, -0.0003299700000000 ] - [ -0.0000146600000000, 0.0002549100000000, -0.0001190700000000 ] - [ 0.0002159200000000, 0.0000531100000000, 0.0000280400000000 ] - [ -0.0002310400000000, -0.0003846000000000, 0.0001358200000000 ] - [ -0.0000278300000000, -0.0000273900000000, 0.0000387400000000 ] - [ -0.0000205300000000, 0.0002639300000000, 0.0000144300000000 ] - [ 0.0004936700000000, 0.0005195800000000, 0.0005957500000000 ] - [ 0.0299081600000000, -0.0674637800000000, -0.0060252100000000 ] - [ -0.0000288600000000, 0.0000214700000000, -0.0000645800000000 ] - [ 0.0000155500000000, 0.0003918900000000, -0.0000301100000000 ] - [ -0.0001335600000000, 0.0001230000000000, -0.0000431400000000 ] - [ -0.0001680500000000, 0.0000557500000000, 0.0000506300000000 ] - [ -0.0000735800000000, -0.0008257800000000, -0.0001941400000000 ] - [ 0.0005033500000000, 0.0002012800000000, 0.0003805900000000 ] - [ 0.0001633500000000, 0.0003097300000000, 0.0000246300000000 ] - [ 0.0000062900000000, -0.0001311400000000, 0.0000044600000000 ] - [ 0.0001211600000000, 0.0002102200000000, 0.0001879000000000 ] - [ -0.0000775700000000, 0.0001875900000000, 0.0000993400000000 ] - [ 0.0005424400000000, 0.0013014500000000, -0.0000163400000000 ] - [ 0.0005896500000000, 0.0004862000000000, 0.0000205000000000 ] - [ 0.0000498500000000, -0.0003472300000000, 0.0000144400000000 ] - [ 0.0005020000000000, 0.0005547500000000, -0.0005225600000000 ] - [ -0.0001143700000000, 0.0001111400000000, -0.0000848900000000 ] - [ -0.0000550800000000, 0.0000560700000000, 0.0001222000000000 ] - [ 0.0000486300000000, -0.0002129300000000, -0.0000030900000000 ] - [ 0.0000462300000000, 0.0001044000000000, 0.0000492700000000 ] - [ 0.0000101300000000, 0.0002079800000000, 0.0000342500000000 ] - [ 0.0003553900000000, 0.0001011900000000, 0.0000042500000000 ] - [ -0.0000125600000000, -0.0004166900000000, -0.0000046100000000 ] - [ 0.0003892700000000, 0.0008274000000000, -0.0002499300000000 ] - [ 0.0000005800000000, -0.0000741500000000, 0.0000357900000000 ] - [ -0.0000887200000000, -0.0002991900000000, -0.0003129500000000 ] - [ -0.0000975900000000, -0.0000389100000000, -0.0000495500000000 ] - [ -0.0007191900000000, -0.0002404800000000, 0.0000984700000000 ] - [ -0.0000938500000000, 0.0004982700000000, -0.0000023100000000 ] - [ 0.0002102400000000, 0.0002373300000000, -0.0001656600000000 ] - [ 0.0002486300000000, -0.0007439700000000, 0.0005020200000000 ] - [ 0.0003751600000000, 0.0000980100000000, -0.0003482600000000 ] - [ -0.0001112700000000, 0.0000704100000000, -0.0001415900000000 ] - [ -0.0001014700000000, -0.0002022100000000, 0.0000561600000000 ] - [ -0.0000015400000000, 0.0002040100000000, 0.0002056800000000 ] - [ 0.0001407500000000, 0.0000658000000000, 0.0000140600000000 ] - [ 0.0005128200000000, 0.0008225100000000, -0.0008782300000000 ] - [ 0.0001130900000000, -0.0002286700000000, -0.0001257300000000 ] - [ -0.0000217300000000, -0.0001965000000000, 0.0002487400000000 ] - [ 0.0003381900000000, 0.0005282300000000, 0.0002522000000000 ] - [ -0.0001806800000000, 0.0006457200000000, -0.0001691300000000 ] - [ 0.0003985400000000, -0.0005270700000000, -0.0018075900000000 ] - [ 0.0002901500000000, 0.0000909100000000, 0.0003584900000000 ] - [ -0.0004660800000000, -0.0001120200000000, -0.0002807400000000 ] - [ 0.0001876500000000, -0.0001691000000000, 0.0003998600000000 ] - [ 0.0000983900000000, -0.0000702500000000, 0.0000308400000000 ] - [ 0.0001925100000000, -0.0001746800000000, 0.0001702100000000 ] - [ -0.0004577200000000, -0.0001505300000000, 0.0005934500000000 ] - [ -0.0000783800000000, 0.0002357900000000, -0.0000221900000000 ] - [ -0.0000336400000000, -0.0002998400000000, 0.0001674300000000 ] - [ -0.0000377600000000, 0.0001765300000000, 0.0000050800000000 ] - [ 0.0001069400000000, 0.0002256500000000, -0.0001995600000000 ] - [ 0.0004941200000000, 0.0008243900000000, 0.0008226400000000 ] - [ 0.0001022300000000, 0.0000098900000000, 0.0001051200000000 ] - [ 0.0000712400000000, 0.0001060000000000, -0.0000205600000000 ] - [ -0.0004342600000000, 0.0009402100000000, -0.0005803000000000 ] - [ 0.0001026500000000, 0.0000581900000000, 0.0004843400000000 ] - [ 0.0001070500000000, 0.0000539300000000, 0.0000169600000000 ] - [ 0.0000554700000000, 0.0001455900000000, 0.0002600700000000 ] - [ -0.0017489200000000, 0.0005482300000000, 0.0001944500000000 ] - [ 0.0002361500000000, -0.0004713300000000, -0.0003491400000000 ] - [ -0.0002045000000000, 0.0006299800000000, 0.0005669600000000 ] - [ -0.0000785500000000, -0.0000415600000000, -0.0000586800000000 ] - [ 0.0000014600000000, -0.0002190700000000, 0.0000025000000000 ] - [ -0.0000376800000000, 0.0002291100000000, -0.0002448400000000 ] - [ -0.0023666400000000, 0.0047885000000000, -0.0005397800000000 ] - [ 0.0003967000000000, -0.0003345400000000, -0.0001753500000000 ] - [ -0.0001679600000000, 0.0001755700000000, -0.0000746700000000 ] - [ -0.0002015500000000, 0.0002239300000000, -0.0000990400000000 ] - [ -0.0018028900000000, 0.0033617000000000, 0.0024682700000000 ] - [ -0.0000271000000000, -0.0002087300000000, 0.0002110900000000 ] - [ -0.0002471000000000, 0.0007086600000000, 0.0001663000000000 ] - [ 0.0001111300000000, 0.0001450200000000, -0.0002244600000000 ] - [ 0.0001102400000000, 0.0003957300000000, 0.0001499800000000 ] - [ -0.0001783800000000, -0.0001119900000000, -0.0004782700000000 ] - [ -0.0000657800000000, -0.0003368700000000, -0.0004308100000000 ] - [ -0.0012574800000000, -0.0008404800000000, 0.0000769400000000 ] - [ 0.0000104200000000, 0.0007652100000000, -0.0004094700000000 ] - [ 0.0001117000000000, 0.0001406200000000, -0.0002261300000000 ] - [ -0.0002385500000000, -0.0005792900000000, -0.0001331500000000 ] - [ -0.0004510900000000, -0.0007792500000000, -0.0005059000000000 ] - [ -0.0005719900000000, -0.0002363600000000, -0.0005330600000000 ] - [ -0.0003350000000000, 0.0005249200000000, 0.0000668900000000 ] - [ -0.0002211200000000, -0.0009542800000000, 0.0006944800000000 ] - [ -0.0000449900000000, -0.0000333400000000, -0.0001136600000000 ] - [ -0.0293412400000000, 0.0397512600000000, 0.0033822600000000 ] - [ -0.0002610900000000, 0.0000855000000000, 0.0000961600000000 ] - [ 0.0000324000000000, -0.0004504500000000, 0.0004072600000000 ] - [ -0.0001446300000000, -0.0001122400000000, -0.0000453300000000 ] - [ 0.0000712300000000, 0.0000657800000000, -0.0000882100000000 ] - [ 0.0000042100000000, 0.0002544800000000, -0.0001399800000000 ] - [ -0.0000593300000000, -0.0003831400000000, -0.0001452600000000 ] - [ -0.0000998700000000, -0.0006683100000000, -0.0001379200000000 ] - [ 0.0007001400000000, -0.0002937800000000, -0.0001273800000000 ] - [ -0.0000321900000000, 0.0002802800000000, -0.0000144800000000 ] - [ 0.0000710900000000, -0.0002534800000000, 0.0000541100000000 ] - [ -0.0000574400000000, -0.0002354800000000, -0.0001186300000000 ] - [ -0.0000314300000000, 0.0002628300000000, -0.0000241800000000 ] - [ -0.0004087900000000, -0.0009200300000000, -0.0001880700000000 ] - [ 0.0002623400000000, -0.0000149500000000, -0.0000671500000000 ] - [ 0.0004236600000000, 0.0041252000000000, -0.0026380400000000 ] - [ -0.0000867100000000, 0.0007200900000000, 0.0000010200000000 ] - [ -0.0006825900000000, -0.0009788800000000, 0.0003225500000000 ] - [ 0.0002402300000000, -0.0002043300000000, -0.0000373100000000 ] - [ 0.0000531100000000, 0.0002099900000000, 0.0002937200000000 ] - [ 0.0000936600000000, 0.0001402900000000, 0.0000569300000000 ] - [ 0.0027568500000000, 0.0058197500000000, 0.0043971900000000 ] - [ 0.0000494300000000, -0.0001256500000000, -0.0001452300000000 ] - [ -0.0001701200000000, -0.0008724700000000, 0.0001331900000000 ] - [ 0.0010438200000000, 0.0045742200000000, -0.0024222700000000 ] - [ 0.0008683300000000, -0.0001003000000000, 0.0001998300000000 ] - [ -0.0001721700000000, -0.0003211900000000, 0.0001343300000000 ] - [ 0.0001224500000000, -0.0002877900000000, 0.0002718100000000 ] - [ -0.0000412900000000, 0.0001807900000000, -0.0003311400000000 ] - [ 0.0000980200000000, -0.0005619300000000, 0.0000086800000000 ] - [ -0.0000611700000000, -0.0000041300000000, 0.0001699400000000 ] - [ -0.0000306100000000, 0.0006700400000000, -0.0000363000000000 ] - [ 0.0002830600000000, 0.0041297300000000, 0.0030645400000000 ] - [ 0.0001706500000000, -0.0003493500000000, -0.0000627700000000 ] - [ -0.0000879500000000, -0.0000877400000000, -0.0002408500000000 ] - [ 0.0000558900000000, 0.0002285400000000, 0.0001858900000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003957000000000, 0.0009469000000000, 0.0000615700000000 ] - [ -0.0002973600000000, -0.0001341000000000, 0.0002733600000000 ] - [ 0.0002556400000000, -0.0002511000000000, 0.0000672500000000 ] - [ 0.0000248900000000, -0.0000576700000000, 0.0000238800000000 ] - [ 0.0001792400000000, 0.0003168500000000, -0.0001633000000000 ] - [ -0.0000247200000000, 0.0000970900000000, -0.0000107100000000 ] - [ 0.0000729900000000, -0.0003333400000000, 0.0000138600000000 ] - [ -0.0004359700000000, -0.0004493100000000, -0.0006212400000000 ] - [ -0.0309560900000000, 0.0683074100000000, 0.0061279300000000 ] - [ 0.0001419700000000, 0.0000056100000000, 0.0001006900000000 ] - [ -0.0001287500000000, -0.0004166100000000, 0.0000664600000000 ] - [ 0.0000209700000000, -0.0000979300000000, 0.0000064800000000 ] - [ -0.0001279600000000, 0.0000934900000000, 0.0000144800000000 ] - [ -0.0002240600000000, 0.0006756500000000, 0.0001378100000000 ] - [ -0.0002054300000000, -0.0000539800000000, -0.0004455800000000 ] - [ 0.0001326700000000, -0.0004578800000000, 0.0000411100000000 ] - [ 0.0000058300000000, 0.0001144800000000, -0.0000480300000000 ] - [ -0.0001096000000000, -0.0001856800000000, -0.0001380800000000 ] - [ 0.0000650800000000, -0.0002038700000000, -0.0000555900000000 ] - [ -0.0005528100000000, -0.0012741900000000, -0.0000272400000000 ] - [ -0.0004190900000000, -0.0003927500000000, -0.0001863100000000 ] - [ 0.0001223600000000, 0.0002573500000000, 0.0001502600000000 ] - [ -0.0006687200000000, -0.0004630600000000, 0.0006853300000000 ] - [ -0.0000574100000000, -0.0002010100000000, -0.0000802300000000 ] - [ 0.0001048800000000, 0.0000568600000000, -0.0000674500000000 ] - [ 0.0000008200000000, 0.0001013900000000, -0.0000514700000000 ] - [ -0.0000925500000000, 0.0000053100000000, -0.0001021700000000 ] - [ -0.0000596700000000, -0.0003189300000000, 0.0000206900000000 ] - [ -0.0003998200000000, 0.0003132600000000, 0.0000023600000000 ] - [ -0.0000333800000000, 0.0000060400000000, -0.0000014400000000 ] - [ -0.0003424500000000, -0.0004160100000000, 0.0002448800000000 ] - [ 0.0000454300000000, -0.0003372400000000, -0.0000295900000000 ] - [ -0.0000758000000000, 0.0002968100000000, 0.0004970200000000 ] - [ -0.0000605300000000, 0.0000557400000000, -0.0001258100000000 ] - [ 0.0008811100000000, 0.0002134800000000, -0.0002729900000000 ] - [ 0.0002536300000000, -0.0004838700000000, 0.0001793500000000 ] - [ 0.0000700800000000, -0.0001212200000000, -0.0001671300000000 ] - [ 0.0000302300000000, 0.0006271500000000, -0.0001794400000000 ] - [ -0.0006526700000000, 0.0000152900000000, 0.0006791700000000 ] - [ -0.0001691800000000, -0.0001847900000000, -0.0001907000000000 ] - [ -0.0001749400000000, 0.0001103200000000, -0.0000571100000000 ] - [ -0.0002736900000000, -0.0001110800000000, -0.0002056200000000 ] - [ 0.0001347600000000, -0.0001568400000000, -0.0000137500000000 ] - [ -0.0002406400000000, -0.0007357300000000, 0.0008794800000000 ] - [ -0.0001258300000000, 0.0001507900000000, -0.0002745800000000 ] - [ 0.0000086300000000, 0.0002756500000000, 0.0001515900000000 ] - [ -0.0003241800000000, -0.0006074900000000, 0.0001487900000000 ] - [ 0.0001932200000000, -0.0005659200000000, -0.0002317300000000 ] - [ -0.0005262500000000, 0.0005805900000000, 0.0014986000000000 ] - [ -0.0004171500000000, -0.0001423700000000, -0.0000478300000000 ] - [ 0.0005888800000000, 0.0001665300000000, 0.0005876600000000 ] - [ -0.0000595600000000, 0.0001156900000000, -0.0007113100000000 ] - [ 0.0000571400000000, -0.0000449200000000, -0.0000595000000000 ] - [ -0.0000385900000000, 0.0002905900000000, -0.0001438400000000 ] - [ 0.0002981400000000, 0.0000334100000000, -0.0005640500000000 ] - [ -0.0000778300000000, -0.0001201800000000, -0.0000048900000000 ] - [ -0.0000799400000000, 0.0000831700000000, 0.0001734800000000 ] - [ -0.0000744200000000, 0.0000412600000000, -0.0003447400000000 ] - [ 0.0000052500000000, -0.0004411900000000, -0.0001404400000000 ] - [ -0.0003822300000000, -0.0006119300000000, -0.0004838700000000 ] - [ 0.0001010300000000, 0.0001097800000000, 0.0001179200000000 ] - [ 0.0001328200000000, -0.0002271600000000, -0.0002030700000000 ] - [ 0.0002321400000000, -0.0008212000000000, 0.0003559000000000 ] - [ -0.0002798200000000, -0.0001794500000000, -0.0002619400000000 ] - [ -0.0000426500000000, -0.0002135000000000, -0.0004269800000000 ] - [ 0.0000055800000000, 0.0000077600000000, 0.0001461500000000 ] - [ 0.0016613300000000, -0.0006901800000000, 0.0002269100000000 ] - [ -0.0002981600000000, 0.0006271500000000, -0.0000563000000000 ] - [ 0.0001378500000000, -0.0006677300000000, -0.0007914300000000 ] - [ 0.0000109400000000, 0.0000800100000000, 0.0002849200000000 ] - [ 0.0000648900000000, 0.0001802200000000, 0.0002214500000000 ] - [ 0.0001046100000000, -0.0001904900000000, 0.0000173600000000 ] - [ 0.0027208300000000, -0.0047769000000000, 0.0005497200000000 ] - [ -0.0000715000000000, 0.0002509300000000, 0.0002235100000000 ] - [ -0.0001551500000000, -0.0000933500000000, 0.0001248100000000 ] - [ -0.0001215200000000, -0.0003068500000000, 0.0000491000000000 ] - [ 0.0017677600000000, -0.0032674900000000, -0.0030670700000000 ] - [ -0.0000278000000000, 0.0000744600000000, 0.0003280800000000 ] - [ 0.0003009300000000, -0.0005725200000000, 0.0003744300000000 ] - [ -0.0000556500000000, -0.0002782300000000, -0.0003156100000000 ] - [ 0.0000272500000000, -0.0002194300000000, 0.0002702200000000 ] - [ 0.0003132600000000, -0.0000672200000000, 0.0000572600000000 ] - [ -0.0000712700000000, 0.0005125000000000, 0.0000102700000000 ] - [ 0.0011123100000000, 0.0006694800000000, 0.0003411100000000 ] - [ 0.0003198900000000, -0.0009296100000000, 0.0007262800000000 ] - [ 0.0002145700000000, 0.0000187900000000, -0.0000903900000000 ] - [ -0.0000879100000000, 0.0004188600000000, -0.0001831200000000 ] - [ 0.0001228200000000, 0.0009424400000000, 0.0008259300000000 ] - [ 0.0006272300000000, -0.0000288100000000, 0.0003800000000000 ] - [ 0.0003928700000000, -0.0002650500000000, 0.0000892800000000 ] - [ 0.0001648700000000, 0.0006955100000000, -0.0005427100000000 ] - [ -0.0000091100000000, 0.0002956400000000, -0.0000411700000000 ] - [ 0.0306136300000000, -0.0407499000000000, -0.0035462500000000 ] - [ 0.0002420400000000, -0.0001189600000000, -0.0000742000000000 ] - [ -0.0000156500000000, 0.0004823600000000, -0.0003856400000000 ] - [ 0.0001619200000000, 0.0000805400000000, 0.0000251200000000 ] - [ -0.0000526500000000, -0.0001538500000000, 0.0002292300000000 ] - [ 0.0000141900000000, -0.0001671400000000, -0.0000015900000000 ] - [ 0.0000370500000000, 0.0002974300000000, 0.0000090000000000 ] - [ 0.0000802200000000, 0.0007530700000000, 0.0002770400000000 ] - [ -0.0008283600000000, 0.0001871400000000, 0.0001616100000000 ] - [ -0.0000917800000000, -0.0001745100000000, -0.0000197800000000 ] - [ 0.0000515000000000, 0.0001486400000000, -0.0000935200000000 ] - [ 0.0001811900000000, 0.0003410700000000, 0.0001538700000000 ] - [ -0.0001814100000000, -0.0001422000000000, 0.0001695500000000 ] - [ 0.0001971000000000, 0.0008009500000000, 0.0000432300000000 ] - [ -0.0000492100000000, 0.0001338500000000, -0.0000777200000000 ] - [ -0.0002215400000000, -0.0040769700000000, 0.0026172500000000 ] - [ 0.0000045000000000, -0.0007643300000000, 0.0000076000000000 ] - [ 0.0006026400000000, 0.0010297100000000, -0.0003268000000000 ] - [ -0.0001587900000000, 0.0001545900000000, 0.0000333000000000 ] - [ 0.0000299500000000, -0.0001575400000000, -0.0002885300000000 ] - [ -0.0001324500000000, -0.0001201400000000, -0.0001858300000000 ] - [ -0.0028710800000000, -0.0058920400000000, -0.0043798400000000 ] - [ -0.0000117900000000, 0.0001462000000000, 0.0002740800000000 ] - [ 0.0002088300000000, 0.0008495200000000, -0.0002614300000000 ] - [ -0.0012168000000000, -0.0043820300000000, 0.0025482700000000 ] - [ -0.0009830000000000, -0.0001456800000000, -0.0002325400000000 ] - [ 0.0002831300000000, 0.0005660200000000, -0.0001678800000000 ] - [ -0.0000129300000000, 0.0000427900000000, -0.0002361900000000 ] - [ -0.0000542600000000, -0.0000019100000000, 0.0002740900000000 ] - [ -0.0001944600000000, 0.0003852700000000, 0.0000477000000000 ] - [ 0.0001580100000000, 0.0001788000000000, -0.0001125400000000 ] - [ 0.0001264800000000, -0.0008423300000000, -0.0000262500000000 ] - [ -0.0002590600000000, -0.0039435900000000, -0.0027189100000000 ] - [ -0.0001345200000000, 0.0003255100000000, -0.0001173600000000 ] - [ 0.0000534500000000, 0.0001099000000000, 0.0000603200000000 ] - [ -0.0000915900000000, -0.0002505600000000, -0.0000050900000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000371800000000, -0.0001643800000000, -0.0008961500000000 ] - [ -0.0001746800000000, -0.0004393400000000, 0.0004372200000000 ] - [ 0.0001521800000000, -0.0000163900000000, -0.0000672900000000 ] - [ 0.0001107600000000, 0.0000139600000000, 0.0002437300000000 ] - [ -0.0002429100000000, -0.0000518400000000, 0.0001141200000000 ] - [ -0.0000595100000000, 0.0000381400000000, 0.0002505700000000 ] - [ 0.0000245400000000, -0.0000042300000000, -0.0001418300000000 ] - [ 0.0002342100000000, 0.0002314900000000, 0.0002516700000000 ] - [ 0.0020302800000000, -0.0061985800000000, -0.0316579500000000 ] - [ 0.0000225300000000, -0.0000712000000000, 0.0001099000000000 ] - [ -0.0000589400000000, 0.0000370300000000, -0.0000100400000000 ] - [ -0.0000609400000000, 0.0000369200000000, 0.0001798600000000 ] - [ -0.0001445300000000, 0.0000789600000000, 0.0001811000000000 ] - [ -0.0004834800000000, 0.0000983000000000, 0.0015988900000000 ] - [ 0.0003955500000000, 0.0001902500000000, 0.0002002400000000 ] - [ 0.0001356500000000, -0.0000666100000000, -0.0001837700000000 ] - [ 0.0000082500000000, -0.0000214700000000, 0.0002350700000000 ] - [ -0.0000136800000000, 0.0006616400000000, 0.0004038600000000 ] - [ -0.0000161400000000, 0.0000451400000000, 0.0000707600000000 ] - [ 0.0000500900000000, 0.0000416400000000, -0.0006607800000000 ] - [ 0.0000518400000000, 0.0000355000000000, -0.0006680400000000 ] - [ 0.0002079000000000, -0.0001054300000000, 0.0002145000000000 ] - [ -0.0003259300000000, -0.0001295700000000, 0.0002939000000000 ] - [ -0.0001166000000000, -0.0000376800000000, 0.0000628100000000 ] - [ -0.0000153500000000, 0.0001016100000000, 0.0000272200000000 ] - [ 0.0000471300000000, -0.0000792700000000, 0.0004460700000000 ] - [ -0.0000055100000000, 0.0000270400000000, -0.0004385500000000 ] - [ -0.0000286100000000, -0.0000829100000000, 0.0001279300000000 ] - [ 0.0005411300000000, 0.0004301700000000, -0.0003145100000000 ] - [ 0.0000436700000000, -0.0002842200000000, 0.0003289600000000 ] - [ -0.0001150100000000, -0.0000143200000000, -0.0002350700000000 ] - [ 0.0000114100000000, -0.0002075200000000, 0.0001296700000000 ] - [ 0.0000120400000000, -0.0003677100000000, -0.0006337000000000 ] - [ -0.0000831400000000, -0.0000362200000000, 0.0001071200000000 ] - [ -0.0004818000000000, 0.0007235300000000, -0.0004713100000000 ] - [ 0.0001681000000000, -0.0001276800000000, 0.0001776000000000 ] - [ 0.0002247000000000, 0.0001399500000000, -0.0004335000000000 ] - [ 0.0005922500000000, -0.0002414700000000, 0.0021319300000000 ] - [ -0.0003655700000000, -0.0000530500000000, 0.0003475400000000 ] - [ -0.0000658400000000, -0.0000223700000000, 0.0000046600000000 ] - [ 0.0000140600000000, -0.0000561800000000, 0.0004166400000000 ] - [ -0.0001203500000000, 0.0001020200000000, -0.0002472900000000 ] - [ 0.0001294700000000, -0.0000489000000000, 0.0001288000000000 ] - [ -0.0001464800000000, -0.0009217000000000, 0.0003297800000000 ] - [ 0.0000641600000000, -0.0000237000000000, -0.0000071100000000 ] - [ -0.0001146300000000, 0.0001537300000000, 0.0006101600000000 ] - [ 0.0000802000000000, 0.0002277000000000, 0.0000016500000000 ] - [ -0.0001428500000000, 0.0003236800000000, -0.0003134700000000 ] - [ -0.0005745700000000, 0.0009374100000000, 0.0011602500000000 ] - [ -0.0002891800000000, 0.0000340200000000, 0.0002452000000000 ] - [ 0.0004269400000000, 0.0000858200000000, 0.0002377500000000 ] - [ 0.0000050000000000, 0.0001017700000000, 0.0001603600000000 ] - [ 0.0001446800000000, -0.0002524700000000, 0.0000971600000000 ] - [ 0.0004179000000000, -0.0002522600000000, 0.0001360800000000 ] - [ -0.0002976400000000, -0.0000861800000000, 0.0002405100000000 ] - [ -0.0000429200000000, 0.0000352600000000, -0.0000011700000000 ] - [ -0.0002209800000000, -0.0001184700000000, 0.0005804500000000 ] - [ -0.0000198400000000, 0.0002040500000000, -0.0000098800000000 ] - [ -0.0000322300000000, -0.0000970700000000, -0.0002167900000000 ] - [ 0.0002640200000000, 0.0009083400000000, 0.0003994400000000 ] - [ 0.0001223500000000, 0.0000626900000000, 0.0002883000000000 ] - [ 0.0000384200000000, 0.0000389200000000, -0.0004519500000000 ] - [ 0.0000259700000000, -0.0002315900000000, 0.0001182200000000 ] - [ -0.0003568100000000, 0.0000619800000000, -0.0003109000000000 ] - [ 0.0000561500000000, -0.0000465600000000, 0.0002803500000000 ] - [ 0.0000179800000000, 0.0000633900000000, 0.0001186100000000 ] - [ -0.0003926600000000, -0.0001387200000000, -0.0000796300000000 ] - [ -0.0001155900000000, 0.0002676700000000, -0.0000806200000000 ] - [ 0.0002832000000000, -0.0006597200000000, -0.0010030300000000 ] - [ -0.0001071700000000, 0.0001391800000000, 0.0000860600000000 ] - [ 0.0000556000000000, 0.0000413700000000, 0.0004361200000000 ] - [ -0.0000020000000000, 0.0001303000000000, -0.0001013300000000 ] - [ 0.0013322300000000, -0.0041431500000000, -0.0006040700000000 ] - [ -0.0005070300000000, -0.0001221200000000, 0.0001672100000000 ] - [ -0.0001743400000000, -0.0000657100000000, 0.0000790600000000 ] - [ -0.0001038900000000, -0.0000760300000000, 0.0001156600000000 ] - [ -0.0013870800000000, 0.0042255700000000, 0.0013483300000000 ] - [ -0.0000831200000000, -0.0000402400000000, 0.0005213000000000 ] - [ 0.0002799300000000, -0.0003248100000000, 0.0000139000000000 ] - [ 0.0000038400000000, -0.0000127700000000, -0.0000301300000000 ] - [ 0.0000702300000000, 0.0001389200000000, -0.0006578000000000 ] - [ -0.0002452300000000, -0.0003777400000000, -0.0002324000000000 ] - [ -0.0000368600000000, 0.0000252600000000, -0.0004303500000000 ] - [ -0.0001684200000000, -0.0000947400000000, 0.0015767400000000 ] - [ 0.0011098400000000, -0.0002975600000000, -0.0007029600000000 ] - [ 0.0001888100000000, 0.0000792500000000, -0.0004772300000000 ] - [ -0.0001791100000000, -0.0000729400000000, 0.0002546700000000 ] - [ -0.0002159300000000, -0.0004751200000000, -0.0002741100000000 ] - [ 0.0001581000000000, -0.0003047400000000, 0.0003564200000000 ] - [ -0.0009784400000000, 0.0005714500000000, -0.0006269800000000 ] - [ -0.0000281700000000, 0.0003113200000000, -0.0002036600000000 ] - [ -0.0000657000000000, 0.0001033800000000, -0.0003047100000000 ] - [ -0.0030419400000000, 0.0041271300000000, 0.0068703300000000 ] - [ 0.0002596000000000, 0.0000866700000000, -0.0003377600000000 ] - [ -0.0000401900000000, 0.0000578300000000, 0.0000405900000000 ] - [ 0.0000212500000000, -0.0000474400000000, -0.0002110100000000 ] - [ 0.0000636400000000, -0.0000376300000000, -0.0001284700000000 ] - [ -0.0001824100000000, -0.0000399800000000, -0.0005662200000000 ] - [ 0.0000298900000000, -0.0000697700000000, 0.0000256000000000 ] - [ 0.0000228500000000, -0.0000293300000000, 0.0001772400000000 ] - [ 0.0004393700000000, -0.0003870100000000, 0.0004279400000000 ] - [ 0.0001704500000000, 0.0002272900000000, -0.0005290000000000 ] - [ 0.0000867400000000, -0.0000009700000000, 0.0002946800000000 ] - [ 0.0000275500000000, -0.0000549000000000, -0.0002106400000000 ] - [ -0.0001081200000000, 0.0000976200000000, -0.0001934800000000 ] - [ -0.0002709700000000, -0.0006845800000000, 0.0004529700000000 ] - [ 0.0001684000000000, 0.0000588700000000, -0.0002548200000000 ] - [ -0.0005793000000000, -0.0037338100000000, 0.0056444700000000 ] - [ -0.0002446900000000, -0.0000413000000000, 0.0002341200000000 ] - [ 0.0003476000000000, 0.0005041200000000, 0.0000205400000000 ] - [ 0.0001584700000000, -0.0001091300000000, -0.0001043000000000 ] - [ -0.0000159000000000, 0.0002637500000000, -0.0004767100000000 ] - [ -0.0000588400000000, 0.0000939200000000, -0.0003074600000000 ] - [ 0.0031999300000000, 0.0039540300000000, 0.0062499100000000 ] - [ 0.0000365500000000, -0.0001137600000000, -0.0001547900000000 ] - [ 0.0000533200000000, 0.0001669400000000, 0.0001864100000000 ] - [ -0.0008833300000000, -0.0017423100000000, 0.0039553700000000 ] - [ -0.0004656200000000, 0.0000103700000000, 0.0000940400000000 ] - [ -0.0000170500000000, 0.0000724400000000, -0.0002261300000000 ] - [ 0.0000043300000000, -0.0000454200000000, -0.0001781500000000 ] - [ -0.0000112300000000, -0.0002200900000000, -0.0005403100000000 ] - [ -0.0001387700000000, -0.0000270300000000, 0.0002302000000000 ] - [ 0.0000038200000000, 0.0001803300000000, -0.0002372200000000 ] - [ 0.0001037100000000, -0.0001611800000000, 0.0003253600000000 ] - [ 0.0005384500000000, 0.0036211800000000, 0.0049295500000000 ] - [ -0.0000183700000000, -0.0000559100000000, -0.0000215000000000 ] - [ -0.0000586200000000, -0.0000619600000000, -0.0003199700000000 ] - [ 0.0000162700000000, -0.0000000300000000, -0.0001633500000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0002862800000000, 0.0001758400000000, 0.0009492300000000 ] - [ -0.0000672000000000, 0.0004315400000000, -0.0004903000000000 ] - [ 0.0000913200000000, 0.0000229300000000, 0.0000135100000000 ] - [ 0.0001335900000000, -0.0000193600000000, -0.0001901200000000 ] - [ 0.0001884700000000, -0.0000160600000000, -0.0001411800000000 ] - [ 0.0000047200000000, 0.0000275300000000, -0.0002216000000000 ] - [ 0.0000294600000000, -0.0000604000000000, 0.0001706300000000 ] - [ -0.0001786400000000, -0.0001650800000000, -0.0002807700000000 ] - [ -0.0015141600000000, 0.0059499100000000, 0.0316260400000000 ] - [ 0.0000919200000000, 0.0000955800000000, -0.0000753800000000 ] - [ -0.0000559700000000, -0.0000610500000000, 0.0000449200000000 ] - [ -0.0000542300000000, -0.0000112600000000, -0.0002148700000000 ] - [ -0.0001488400000000, 0.0000686600000000, -0.0001153200000000 ] - [ 0.0001896100000000, -0.0002482700000000, -0.0016852100000000 ] - [ -0.0001016400000000, -0.0000429000000000, -0.0002655500000000 ] - [ 0.0001584900000000, -0.0000803300000000, 0.0002500200000000 ] - [ -0.0000028800000000, 0.0000088600000000, -0.0002784200000000 ] - [ 0.0000223900000000, -0.0006484900000000, -0.0003586500000000 ] - [ 0.0000108500000000, -0.0000562900000000, -0.0000269200000000 ] - [ -0.0000524000000000, -0.0000283500000000, 0.0006155800000000 ] - [ 0.0001193200000000, 0.0000541200000000, 0.0005033200000000 ] - [ -0.0000383400000000, 0.0000156800000000, -0.0000513700000000 ] - [ 0.0001560200000000, 0.0002157000000000, -0.0001276300000000 ] - [ -0.0000519000000000, -0.0000498900000000, -0.0002270500000000 ] - [ 0.0000725000000000, 0.0000125500000000, 0.0000271600000000 ] - [ 0.0000103400000000, -0.0000348600000000, -0.0004994300000000 ] - [ -0.0000521200000000, 0.0000863400000000, 0.0003848500000000 ] - [ -0.0000281700000000, -0.0000302000000000, -0.0000739500000000 ] - [ -0.0005930300000000, -0.0000205200000000, 0.0003258100000000 ] - [ -0.0000896800000000, -0.0001290200000000, -0.0003376700000000 ] - [ 0.0001620400000000, 0.0004267500000000, 0.0002253200000000 ] - [ 0.0000349600000000, -0.0002031000000000, -0.0001207200000000 ] - [ -0.0001738000000000, 0.0003562500000000, 0.0008169000000000 ] - [ -0.0000745900000000, 0.0000563400000000, -0.0002811000000000 ] - [ 0.0006090200000000, -0.0007282500000000, 0.0003000700000000 ] - [ -0.0000120100000000, 0.0001500100000000, -0.0000031200000000 ] - [ 0.0000587300000000, -0.0000234200000000, 0.0001021700000000 ] - [ -0.0003072700000000, 0.0001244800000000, -0.0017759900000000 ] - [ 0.0000817000000000, 0.0001675500000000, -0.0000163900000000 ] - [ -0.0002177500000000, -0.0000929500000000, -0.0003360600000000 ] - [ -0.0002874400000000, -0.0000326600000000, -0.0004196700000000 ] - [ -0.0001544400000000, -0.0000128500000000, 0.0002523900000000 ] - [ 0.0001455400000000, -0.0000393300000000, -0.0001241600000000 ] - [ 0.0004203200000000, 0.0010104400000000, -0.0003363500000000 ] - [ -0.0000772500000000, -0.0000554300000000, -0.0003957000000000 ] - [ 0.0001013900000000, -0.0000769600000000, -0.0002064700000000 ] - [ -0.0000656600000000, -0.0003038500000000, 0.0004014600000000 ] - [ 0.0001553200000000, -0.0002424700000000, -0.0000900700000000 ] - [ 0.0004494700000000, -0.0008864800000000, -0.0014724600000000 ] - [ 0.0001642100000000, -0.0000831400000000, 0.0000685600000000 ] - [ -0.0003012200000000, -0.0000356200000000, 0.0000744000000000 ] - [ 0.0001198800000000, -0.0001515900000000, -0.0004735800000000 ] - [ 0.0000116500000000, 0.0001340600000000, -0.0001261600000000 ] - [ -0.0002613400000000, 0.0003701600000000, -0.0001060600000000 ] - [ 0.0001388600000000, -0.0000325400000000, -0.0002102900000000 ] - [ -0.0001138400000000, 0.0000845700000000, -0.0000270100000000 ] - [ 0.0001103500000000, -0.0000965400000000, -0.0002368100000000 ] - [ -0.0000918300000000, 0.0000115900000000, -0.0003321400000000 ] - [ 0.0001443500000000, -0.0001163600000000, -0.0001267100000000 ] - [ -0.0001527600000000, -0.0006926000000000, -0.0000541700000000 ] - [ 0.0000796400000000, 0.0000552500000000, -0.0000623200000000 ] - [ 0.0001638600000000, -0.0001554500000000, 0.0002262700000000 ] - [ -0.0002303100000000, 0.0003544200000000, -0.0003460300000000 ] - [ 0.0001525800000000, -0.0001776000000000, 0.0005364200000000 ] - [ 0.0000081900000000, -0.0001127100000000, -0.0006931300000000 ] - [ 0.0000437100000000, 0.0000904400000000, 0.0002899900000000 ] - [ 0.0003470800000000, -0.0000117200000000, 0.0004692100000000 ] - [ 0.0000549000000000, -0.0001166400000000, -0.0003298800000000 ] - [ -0.0003496600000000, 0.0006225400000000, 0.0007764900000000 ] - [ 0.0000388500000000, -0.0001024100000000, 0.0001377400000000 ] - [ 0.0000147000000000, -0.0000793800000000, -0.0002092300000000 ] - [ 0.0000694900000000, -0.0000937200000000, -0.0001228700000000 ] - [ -0.0010129500000000, 0.0042308600000000, 0.0005455000000000 ] - [ 0.0008235100000000, 0.0000340800000000, -0.0001147500000000 ] - [ -0.0001488300000000, 0.0001518300000000, -0.0000256400000000 ] - [ -0.0002186600000000, -0.0000101100000000, -0.0001684100000000 ] - [ 0.0013295800000000, -0.0041066500000000, -0.0018963600000000 ] - [ 0.0000274100000000, -0.0000964400000000, 0.0000177800000000 ] - [ -0.0002261800000000, 0.0004640200000000, 0.0005242300000000 ] - [ 0.0000512300000000, -0.0001224000000000, -0.0005093600000000 ] - [ 0.0000690100000000, 0.0000433800000000, 0.0010771400000000 ] - [ 0.0003837700000000, 0.0001972600000000, -0.0001884700000000 ] - [ -0.0001033700000000, 0.0001535200000000, 0.0000085200000000 ] - [ 0.0000272600000000, -0.0000832000000000, -0.0011546400000000 ] - [ -0.0007847400000000, 0.0001466300000000, 0.0010116100000000 ] - [ 0.0001407000000000, 0.0000788200000000, 0.0001644700000000 ] - [ -0.0001520000000000, -0.0000865700000000, -0.0005661800000000 ] - [ -0.0001130000000000, 0.0006325600000000, 0.0005851600000000 ] - [ -0.0001028700000000, 0.0000427900000000, -0.0005187200000000 ] - [ 0.0010259500000000, -0.0003041200000000, 0.0007855400000000 ] - [ -0.0000277900000000, -0.0005722000000000, 0.0003639200000000 ] - [ 0.0000092900000000, 0.0001592100000000, 0.0001439100000000 ] - [ 0.0028999200000000, -0.0039525800000000, -0.0068322200000000 ] - [ -0.0002741100000000, -0.0001147800000000, 0.0003537500000000 ] - [ 0.0000533400000000, -0.0000289600000000, -0.0000207000000000 ] - [ -0.0000081300000000, 0.0000168700000000, 0.0001938500000000 ] - [ -0.0000440700000000, -0.0000504300000000, 0.0002674300000000 ] - [ 0.0002036900000000, 0.0001301500000000, 0.0004270400000000 ] - [ -0.0000485000000000, -0.0000172500000000, -0.0001672800000000 ] - [ -0.0000436700000000, 0.0001157300000000, -0.0000378900000000 ] - [ -0.0005582500000000, 0.0002777000000000, -0.0003927800000000 ] - [ -0.0002895400000000, -0.0001200400000000, 0.0004872200000000 ] - [ 0.0000371200000000, -0.0001043100000000, -0.0003301100000000 ] - [ 0.0000931100000000, 0.0001593800000000, 0.0002503200000000 ] - [ -0.0001089100000000, 0.0000244600000000, 0.0003367600000000 ] - [ 0.0000530600000000, 0.0005598000000000, -0.0005982800000000 ] - [ 0.0000495300000000, 0.0000627100000000, 0.0001111700000000 ] - [ 0.0007955500000000, 0.0037557200000000, -0.0055817800000000 ] - [ 0.0001559500000000, -0.0000034200000000, -0.0002243000000000 ] - [ -0.0004407500000000, -0.0004628900000000, -0.0000241700000000 ] - [ -0.0000692200000000, 0.0000626400000000, 0.0000986700000000 ] - [ 0.0001051900000000, -0.0002202200000000, 0.0004827700000000 ] - [ 0.0000221400000000, -0.0000734500000000, 0.0001786000000000 ] - [ -0.0033750700000000, -0.0041071700000000, -0.0062470400000000 ] - [ 0.0000009700000000, 0.0001324000000000, 0.0002831500000000 ] - [ -0.0000175300000000, -0.0001873500000000, -0.0003155600000000 ] - [ 0.0006819500000000, 0.0018952100000000, -0.0038157400000000 ] - [ 0.0003619700000000, -0.0002577000000000, -0.0001280800000000 ] - [ 0.0001249600000000, 0.0001732800000000, 0.0001881100000000 ] - [ 0.0001041700000000, -0.0002000900000000, 0.0002158400000000 ] - [ -0.0000799200000000, 0.0003877900000000, 0.0004795500000000 ] - [ 0.0000482600000000, -0.0001450700000000, -0.0001721000000000 ] - [ 0.0000868100000000, -0.0000092100000000, 0.0002958400000000 ] - [ -0.0000098200000000, -0.0000078000000000, -0.0003861700000000 ] - [ -0.0005012600000000, -0.0034657300000000, -0.0046751800000000 ] - [ 0.0000604700000000, 0.0000373200000000, -0.0001602400000000 ] - [ 0.0000177800000000, 0.0000791800000000, 0.0001374700000000 ] - [ -0.0000576900000000, -0.0000171900000000, 0.0003444000000000 ]- atom: 13 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000974100000000, 0.0000106900000000, 0.0000460200000000 ] - [ -0.0001097600000000, -0.0000513700000000, -0.0001495000000000 ] - [ -0.0001851700000000, -0.0000228500000000, -0.0001321300000000 ] - [ 0.0002016300000000, 0.0000931600000000, 0.0000199900000000 ] - [ -0.0000792900000000, -0.0007709200000000, -0.0005817700000000 ] - [ -0.0000493900000000, 0.0008371700000000, 0.0003333500000000 ] - [ 0.0000083700000000, -0.0000619500000000, 0.0000473500000000 ] - [ 0.0000388300000000, 0.0000423100000000, 0.0000246700000000 ] - [ 0.0000977400000000, -0.0000310600000000, -0.0000150300000000 ] - [ -0.0002891500000000, -0.0000668800000000, 0.0003587600000000 ] - [ 0.0002846000000000, -0.0003673700000000, 0.0002671600000000 ] - [ -0.0000837600000000, 0.0000274000000000, -0.0000063900000000 ] - [ -0.0720489400000000, -0.0192901300000000, -0.0244540600000000 ] - [ -0.0000224800000000, -0.0000429700000000, -0.0000456400000000 ] - [ 0.0001205800000000, 0.0000598200000000, -0.0000188400000000 ] - [ 0.0001618100000000, -0.0000948700000000, 0.0000818400000000 ] - [ 0.0003464800000000, -0.0007099600000000, -0.0000230300000000 ] - [ 0.0002283800000000, 0.0004612100000000, 0.0002797200000000 ] - [ -0.0003885400000000, 0.0001274900000000, 0.0002640200000000 ] - [ 0.0000142600000000, -0.0000252700000000, -0.0000103000000000 ] - [ 0.0001175800000000, 0.0000954000000000, -0.0000047900000000 ] - [ 0.0000523400000000, -0.0005036000000000, 0.0004271400000000 ] - [ -0.0000626800000000, 0.0000496700000000, 0.0000454800000000 ] - [ -0.0001706400000000, -0.0004230500000000, -0.0001335900000000 ] - [ -0.0005627700000000, 0.0002367400000000, -0.0000659000000000 ] - [ 0.0001370700000000, 0.0000394400000000, -0.0000617700000000 ] - [ -0.0000484900000000, 0.0000722600000000, -0.0000191200000000 ] - [ 0.0002377700000000, -0.0001065300000000, -0.0000909800000000 ] - [ -0.0000988900000000, 0.0002442000000000, 0.0001483900000000 ] - [ 0.0004328800000000, -0.0001981100000000, -0.0001723200000000 ] - [ 0.0000269200000000, 0.0002570400000000, -0.0000568300000000 ] - [ 0.0000645400000000, -0.0003109500000000, -0.0000106100000000 ] - [ 0.0003035700000000, 0.0002957000000000, -0.0001409400000000 ] - [ -0.0001767100000000, 0.0001247000000000, -0.0001603200000000 ] - [ 0.0000898300000000, 0.0000151300000000, -0.0000240800000000 ] - [ 0.0001054500000000, 0.0000834700000000, 0.0002425200000000 ] - [ 0.0000073100000000, 0.0000532300000000, -0.0000615100000000 ] - [ 0.0002553100000000, -0.0000811100000000, 0.0002167700000000 ] - [ -0.0001717700000000, 0.0000270200000000, 0.0001514800000000 ] - [ -0.0000057300000000, -0.0001972400000000, -0.0001978800000000 ] - [ -0.0000264800000000, -0.0001659600000000, 0.0001286800000000 ] - [ -0.0003517300000000, 0.0003056300000000, 0.0003539100000000 ] - [ 0.0002277400000000, -0.0008556600000000, -0.0007649000000000 ] - [ 0.0001361900000000, 0.0000299600000000, -0.0000217900000000 ] - [ -0.0003522500000000, 0.0007650300000000, 0.0005045700000000 ] - [ 0.0004430100000000, 0.0001791600000000, 0.0003991100000000 ] - [ 0.0000141800000000, -0.0000225000000000, 0.0002109100000000 ] - [ -0.0000529200000000, 0.0000535200000000, -0.0001574800000000 ] - [ -0.0000432400000000, 0.0000375700000000, -0.0001097400000000 ] - [ -0.0000789300000000, 0.0000873500000000, 0.0000581700000000 ] - [ 0.0000878000000000, 0.0000714100000000, 0.0001058600000000 ] - [ 0.0011879700000000, 0.0009951000000000, -0.0003959300000000 ] - [ 0.0020861700000000, 0.0001635700000000, -0.0001664400000000 ] - [ 0.0000644200000000, 0.0001565600000000, 0.0000614800000000 ] - [ -0.0000547300000000, -0.0000166700000000, 0.0000076000000000 ] - [ -0.0000807800000000, 0.0000813000000000, 0.0000205900000000 ] - [ 0.0000668900000000, -0.0001804900000000, 0.0000164300000000 ] - [ 0.0026148000000000, 0.0009222200000000, 0.0042720000000000 ] - [ 0.0000589300000000, -0.0001482300000000, -0.0001875500000000 ] - [ 0.0000551400000000, 0.0000876200000000, 0.0002065600000000 ] - [ 0.0001055500000000, 0.0000886600000000, 0.0000879300000000 ] - [ 0.0001992400000000, 0.0000449600000000, -0.0001436600000000 ] - [ 0.0000965600000000, 0.0002160800000000, 0.0001836900000000 ] - [ -0.0001755000000000, -0.0000928100000000, 0.0000798300000000 ] - [ -0.0001309000000000, -0.0000933600000000, -0.0002223500000000 ] - [ -0.0000003900000000, 0.0000322300000000, 0.0002313900000000 ] - [ -0.0000282000000000, -0.0000419000000000, 0.0002357200000000 ] - [ 0.0000921400000000, 0.0000848800000000, -0.0002811900000000 ] - [ -0.0000281000000000, -0.0000318400000000, -0.0000725800000000 ] - [ -0.0000529700000000, -0.0000225600000000, 0.0001086700000000 ] - [ -0.0000401600000000, -0.0000773400000000, 0.0001696000000000 ] - [ 0.0016934800000000, 0.0005980500000000, -0.0002645200000000 ] - [ 0.0002099600000000, 0.0000420700000000, -0.0000072800000000 ] - [ 0.0001306700000000, -0.0000997300000000, -0.0000171500000000 ] - [ -0.0001286400000000, 0.0000388000000000, -0.0000089400000000 ] - [ -0.0001848600000000, 0.0000525400000000, -0.0000287700000000 ] - [ -0.0000145900000000, 0.0000601800000000, -0.0003055900000000 ] - [ -0.0002533400000000, 0.0013682900000000, -0.0011162700000000 ] - [ -0.0000136600000000, 0.0000673900000000, 0.0002952000000000 ] - [ 0.0000323500000000, 0.0000264600000000, -0.0002264000000000 ] - [ -0.0005374500000000, 0.0002534500000000, 0.0003260200000000 ] - [ 0.0012240100000000, -0.0015269500000000, -0.0020505400000000 ] - [ 0.0000238300000000, 0.0006531100000000, 0.0003362400000000 ] - [ -0.0000869800000000, -0.0000917700000000, 0.0002238100000000 ] - [ -0.0001260800000000, -0.0000699500000000, 0.0001226600000000 ] - [ 0.0563195500000000, 0.0224144600000000, 0.0197351500000000 ] - [ -0.0001638400000000, -0.0000223500000000, -0.0002248600000000 ] - [ -0.0001615100000000, 0.0000611800000000, 0.0000989100000000 ] - [ 0.0001772000000000, -0.0003284100000000, -0.0002273800000000 ] - [ -0.0001576300000000, 0.0001826300000000, 0.0000247400000000 ] - [ -0.0000332600000000, -0.0001425000000000, 0.0000836000000000 ] - [ -0.0002746800000000, 0.0004500600000000, -0.0001054100000000 ] - [ 0.0000325700000000, 0.0000218500000000, -0.0000020700000000 ] - [ 0.0001599400000000, 0.0004925500000000, 0.0004598200000000 ] - [ 0.0001984700000000, 0.0003493900000000, -0.0001438100000000 ] - [ 0.0000493400000000, -0.0002128700000000, -0.0000688800000000 ] - [ 0.0031801200000000, -0.0019102100000000, -0.0017079500000000 ] - [ -0.0001214300000000, -0.0005491800000000, -0.0003063300000000 ] - [ 0.0000220000000000, -0.0000689600000000, -0.0001041400000000 ] - [ -0.0000760400000000, 0.0000574900000000, 0.0000541300000000 ] - [ 0.0000340800000000, -0.0001157500000000, 0.0001433000000000 ] - [ -0.0002920500000000, -0.0003334000000000, 0.0003301000000000 ] - [ 0.0001405100000000, -0.0000779500000000, -0.0000419600000000 ] - [ -0.0001512300000000, 0.0000729500000000, -0.0001455600000000 ] - [ 0.0002244200000000, 0.0000291900000000, -0.0000361200000000 ] - [ -0.0003585800000000, -0.0000774000000000, -0.0001762600000000 ] - [ 0.0013752300000000, -0.0010850900000000, -0.0009148800000000 ] - [ 0.0000241000000000, -0.0000558300000000, 0.0000619300000000 ] - [ 0.0000648900000000, -0.0000129000000000, -0.0000568300000000 ] - [ -0.0001574900000000, 0.0000170600000000, -0.0000524000000000 ] - [ 0.0024243800000000, -0.0009952500000000, 0.0016441400000000 ] - [ -0.0000800200000000, 0.0000411000000000, 0.0000361100000000 ] - [ 0.0025844700000000, -0.0021988800000000, 0.0028566600000000 ] - [ -0.0000754400000000, -0.0001359500000000, -0.0000407500000000 ] - [ 0.0001151900000000, 0.0000412000000000, 0.0001331200000000 ] - [ -0.0001038400000000, 0.0000613900000000, -0.0001129400000000 ] - [ -0.0001079200000000, 0.0000731000000000, -0.0000234300000000 ] - [ -0.0000256600000000, -0.0001322000000000, -0.0002421700000000 ] - [ -0.0002379700000000, 0.0000915300000000, 0.0001813300000000 ] - [ 0.0002119200000000, -0.0000947000000000, -0.0000228500000000 ] - [ -0.0001650400000000, 0.0001137800000000, -0.0000199700000000 ] - [ 0.0000857800000000, -0.0000053000000000, 0.0000375700000000 ] - [ -0.0004984200000000, 0.0002038600000000, 0.0002406300000000 ] - [ 0.0002084900000000, -0.0000975600000000, 0.0000250000000000 ] - [ -0.0000251400000000, 0.0000167400000000, 0.0000587500000000 ] - [ 0.0000537200000000, -0.0000217000000000, -0.0002076300000000 ] - [ -0.0014138100000000, -0.0000229700000000, 0.0000563500000000 ] - [ 0.0003048000000000, -0.0000167200000000, 0.0002083600000000 ]- atom: 13 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001464200000000, -0.0000054600000000, 0.0000075900000000 ] - [ -0.0001349000000000, 0.0000437500000000, 0.0000950100000000 ] - [ 0.0004205100000000, 0.0000286700000000, 0.0000761200000000 ] - [ 0.0000440000000000, -0.0000977200000000, 0.0000331000000000 ] - [ 0.0000237400000000, 0.0007084400000000, 0.0005547600000000 ] - [ 0.0000362900000000, -0.0007489600000000, -0.0002880400000000 ] - [ 0.0000462400000000, -0.0000043700000000, -0.0000178800000000 ] - [ 0.0000164500000000, 0.0000248800000000, -0.0000523700000000 ] - [ 0.0000179800000000, 0.0000061300000000, -0.0000194800000000 ] - [ 0.0004026300000000, 0.0000864100000000, -0.0003142700000000 ] - [ -0.0003976000000000, 0.0003384800000000, -0.0002300900000000 ] - [ -0.0000320600000000, -0.0000003500000000, -0.0000291700000000 ] - [ 0.0699626600000000, 0.0181431500000000, 0.0235744400000000 ] - [ -0.0002698500000000, -0.0001047200000000, -0.0000205800000000 ] - [ 0.0001726600000000, 0.0000890600000000, -0.0000461400000000 ] - [ 0.0001315100000000, -0.0000539900000000, -0.0000147700000000 ] - [ -0.0003387700000000, 0.0006922300000000, -0.0000218200000000 ] - [ -0.0002200300000000, -0.0004465600000000, -0.0002325100000000 ] - [ 0.0003783700000000, -0.0001376800000000, -0.0002164000000000 ] - [ -0.0000193400000000, 0.0000381200000000, -0.0000331200000000 ] - [ 0.0000519500000000, -0.0000071700000000, -0.0001583500000000 ] - [ 0.0001166800000000, 0.0004183200000000, -0.0002647700000000 ] - [ -0.0001054700000000, 0.0000390100000000, 0.0001184600000000 ] - [ -0.0000055500000000, 0.0003399800000000, -0.0000306900000000 ] - [ 0.0006150700000000, -0.0001266800000000, 0.0001117700000000 ] - [ -0.0000781000000000, -0.0001507000000000, 0.0000067800000000 ] - [ -0.0000093400000000, 0.0000424500000000, -0.0000341800000000 ] - [ -0.0002927400000000, -0.0000084300000000, 0.0001446000000000 ] - [ 0.0000518700000000, 0.0001661100000000, -0.0001362400000000 ] - [ -0.0004762000000000, -0.0002125000000000, 0.0001605700000000 ] - [ 0.0000198200000000, 0.0001545600000000, 0.0000477100000000 ] - [ -0.0000194700000000, -0.0001001500000000, 0.0000207300000000 ] - [ -0.0004597900000000, -0.0003160700000000, 0.0003152900000000 ] - [ 0.0000184100000000, -0.0001029600000000, -0.0000148700000000 ] - [ 0.0000670100000000, -0.0000354500000000, -0.0001487600000000 ] - [ 0.0000542000000000, -0.0000639200000000, -0.0000632800000000 ] - [ 0.0002741900000000, 0.0000611100000000, -0.0002678400000000 ] - [ 0.0000291900000000, -0.0000341800000000, 0.0001147500000000 ] - [ -0.0001122900000000, 0.0000894600000000, 0.0001792900000000 ] - [ -0.0002741400000000, 0.0000804700000000, -0.0001355600000000 ] - [ -0.0002476400000000, 0.0000775400000000, -0.0001331600000000 ] - [ 0.0000747100000000, -0.0002151900000000, -0.0003442800000000 ] - [ 0.0000467300000000, 0.0007589200000000, 0.0007610500000000 ] - [ 0.0001386600000000, 0.0000593000000000, 0.0000174700000000 ] - [ 0.0003429200000000, -0.0008036200000000, -0.0008649100000000 ] - [ -0.0004529300000000, -0.0001012900000000, 0.0000045400000000 ] - [ -0.0000003500000000, -0.0000553400000000, 0.0001932300000000 ] - [ 0.0000659600000000, 0.0000256500000000, -0.0002448200000000 ] - [ -0.0000816100000000, 0.0000118300000000, -0.0002020400000000 ] - [ -0.0000466600000000, -0.0001363500000000, 0.0002561700000000 ] - [ 0.0000356000000000, -0.0000233100000000, 0.0002083100000000 ] - [ -0.0010691900000000, -0.0010743100000000, 0.0000876600000000 ] - [ -0.0019663000000000, -0.0002640500000000, 0.0001477900000000 ] - [ 0.0000875000000000, -0.0000461800000000, -0.0000375800000000 ] - [ -0.0001025700000000, -0.0001011800000000, 0.0000219900000000 ] - [ -0.0000764900000000, 0.0000370800000000, -0.0000482100000000 ] - [ -0.0001783900000000, -0.0000338800000000, 0.0003260500000000 ] - [ -0.0026596000000000, -0.0007312500000000, -0.0045101600000000 ] - [ 0.0000531600000000, -0.0000670300000000, -0.0001552200000000 ] - [ 0.0000570500000000, 0.0001276400000000, 0.0001373200000000 ] - [ 0.0000964700000000, 0.0000304400000000, 0.0001371100000000 ] - [ 0.0000063000000000, -0.0001637200000000, -0.0000841200000000 ] - [ -0.0002982100000000, -0.0000978100000000, -0.0004083300000000 ] - [ -0.0000277900000000, -0.0000258400000000, 0.0001459800000000 ] - [ 0.0001932200000000, -0.0000595600000000, -0.0001824200000000 ] - [ 0.0000609300000000, 0.0001211400000000, 0.0001776200000000 ] - [ -0.0000329700000000, -0.0001103200000000, 0.0001722300000000 ] - [ -0.0001534000000000, 0.0000699300000000, -0.0001295500000000 ] - [ -0.0000390500000000, -0.0000053200000000, -0.0001515500000000 ] - [ -0.0000148100000000, 0.0000591100000000, 0.0001152500000000 ] - [ 0.0001103400000000, 0.0000463100000000, 0.0000572700000000 ] - [ -0.0016585000000000, -0.0005830900000000, 0.0000274800000000 ] - [ 0.0001130300000000, 0.0000441100000000, -0.0000455700000000 ] - [ 0.0001916100000000, 0.0000111600000000, 0.0000694500000000 ] - [ -0.0001937500000000, 0.0000499900000000, 0.0000602800000000 ] - [ -0.0001389300000000, -0.0001323100000000, -0.0000258500000000 ] - [ -0.0000406600000000, 0.0000752300000000, -0.0002328900000000 ] - [ 0.0001928100000000, -0.0014993300000000, 0.0016435600000000 ] - [ 0.0000680500000000, 0.0000691100000000, 0.0002433100000000 ] - [ 0.0000256800000000, -0.0001565000000000, -0.0003131000000000 ] - [ 0.0006732000000000, -0.0000731200000000, 0.0000962100000000 ] - [ -0.0010723100000000, 0.0013373600000000, 0.0016073900000000 ] - [ -0.0001628500000000, -0.0004690200000000, -0.0007552600000000 ] - [ -0.0000531200000000, -0.0000900300000000, 0.0001953500000000 ] - [ 0.0004593200000000, -0.0000880900000000, 0.0001908300000000 ] - [ -0.0541184400000000, -0.0211492000000000, -0.0192152600000000 ] - [ -0.0001664000000000, -0.0001344200000000, -0.0000882500000000 ] - [ -0.0001680600000000, 0.0000940800000000, 0.0002095600000000 ] - [ -0.0001183500000000, 0.0000644400000000, 0.0000666200000000 ] - [ 0.0002155200000000, 0.0000779600000000, 0.0001342800000000 ] - [ -0.0000237700000000, -0.0001217200000000, 0.0000763700000000 ] - [ 0.0002241000000000, -0.0001841500000000, -0.0000566300000000 ] - [ -0.0000451800000000, 0.0000082400000000, -0.0000174400000000 ] - [ -0.0001695000000000, -0.0005146800000000, -0.0004406900000000 ] - [ -0.0001810900000000, -0.0003161600000000, 0.0001598900000000 ] - [ -0.0000358100000000, 0.0001794200000000, 0.0000499700000000 ] - [ -0.0032024100000000, 0.0018899400000000, 0.0019254000000000 ] - [ 0.0001372600000000, 0.0006232400000000, 0.0001601700000000 ] - [ -0.0000417200000000, -0.0000202100000000, -0.0000368600000000 ] - [ 0.0000556900000000, 0.0000303100000000, 0.0000843000000000 ] - [ -0.0001552100000000, 0.0000126900000000, -0.0001039500000000 ] - [ 0.0001723400000000, 0.0004304700000000, -0.0003607200000000 ] - [ -0.0000187400000000, -0.0000288800000000, 0.0000023300000000 ] - [ 0.0002690900000000, 0.0000261700000000, 0.0001838400000000 ] - [ -0.0004419900000000, 0.0000921400000000, 0.0001787500000000 ] - [ 0.0001380900000000, -0.0000435100000000, 0.0000308900000000 ] - [ -0.0011642000000000, 0.0012286000000000, 0.0007875800000000 ] - [ 0.0001920200000000, -0.0000674800000000, 0.0000806600000000 ] - [ -0.0001547000000000, -0.0000337300000000, 0.0000615000000000 ] - [ 0.0000667200000000, 0.0000296400000000, 0.0000462700000000 ] - [ -0.0023365800000000, 0.0009862500000000, -0.0016693300000000 ] - [ 0.0001691900000000, 0.0000032900000000, -0.0000300200000000 ] - [ -0.0026669500000000, 0.0022920800000000, -0.0030793400000000 ] - [ 0.0000380700000000, 0.0001156200000000, 0.0001683500000000 ] - [ -0.0000771700000000, -0.0000248200000000, -0.0000051800000000 ] - [ 0.0001402500000000, -0.0000807100000000, -0.0000163900000000 ] - [ 0.0000000700000000, 0.0001719400000000, 0.0000608100000000 ] - [ -0.0000832800000000, -0.0001112300000000, 0.0002029300000000 ] - [ 0.0003424000000000, 0.0001528900000000, -0.0002182400000000 ] - [ -0.0001012100000000, -0.0001541300000000, 0.0000633600000000 ] - [ 0.0000741300000000, 0.0000552000000000, -0.0000379600000000 ] - [ -0.0001750500000000, -0.0001648800000000, 0.0000218900000000 ] - [ 0.0005796300000000, -0.0000224700000000, -0.0001749300000000 ] - [ -0.0001165500000000, -0.0000746800000000, -0.0000848400000000 ] - [ 0.0000661800000000, 0.0000004100000000, 0.0001226200000000 ] - [ -0.0000118700000000, 0.0000033400000000, 0.0000225100000000 ] - [ 0.0013528500000000, 0.0000463500000000, -0.0002433500000000 ] - [ -0.0003439000000000, -0.0000051800000000, -0.0000231400000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001896100000000, -0.0000312500000000, 0.0000282400000000 ] - [ 0.0001318500000000, -0.0003077600000000, -0.0001654100000000 ] - [ -0.0007647600000000, 0.0003973500000000, -0.0004968400000000 ] - [ 0.0002828600000000, 0.0002545800000000, 0.0000217300000000 ] - [ -0.0000378900000000, 0.0002517700000000, 0.0001953800000000 ] - [ -0.0005740100000000, -0.0006239400000000, 0.0001945600000000 ] - [ 0.0000276700000000, 0.0000212500000000, 0.0000365800000000 ] - [ 0.0000520100000000, 0.0001792500000000, 0.0000380100000000 ] - [ 0.0001032000000000, -0.0000327900000000, -0.0000138300000000 ] - [ -0.0000155600000000, -0.0007353100000000, 0.0001950200000000 ] - [ -0.0001223400000000, 0.0001153200000000, -0.0000985100000000 ] - [ -0.0000831200000000, 0.0003969500000000, -0.0000256400000000 ] - [ -0.0189713700000000, -0.0453644000000000, -0.0079520500000000 ] - [ -0.0001802800000000, -0.0000822800000000, 0.0000208800000000 ] - [ 0.0001640600000000, 0.0002679100000000, -0.0000250600000000 ] - [ 0.0001289500000000, -0.0000869900000000, 0.0000490100000000 ] - [ -0.0009416100000000, 0.0006282800000000, -0.0000969900000000 ] - [ 0.0002090000000000, -0.0006206600000000, -0.0000101700000000 ] - [ -0.0004019700000000, 0.0003801300000000, 0.0005922400000000 ] - [ -0.0000215200000000, 0.0001301700000000, 0.0000050600000000 ] - [ 0.0001340500000000, -0.0001200900000000, -0.0000959000000000 ] - [ 0.0000406900000000, 0.0000790800000000, -0.0000744300000000 ] - [ -0.0000817300000000, 0.0001917700000000, 0.0000573600000000 ] - [ -0.0008124900000000, 0.0012417600000000, -0.0000064000000000 ] - [ 0.0001842900000000, -0.0007886000000000, -0.0000267700000000 ] - [ 0.0000526200000000, 0.0000187500000000, -0.0000556700000000 ] - [ -0.0000299700000000, 0.0001611400000000, -0.0000075100000000 ] - [ -0.0001891300000000, -0.0000179700000000, 0.0002634200000000 ] - [ 0.0000668800000000, -0.0000632800000000, 0.0002156900000000 ] - [ -0.0002126400000000, -0.0002626200000000, -0.0000882200000000 ] - [ 0.0000332000000000, 0.0003104600000000, -0.0000233100000000 ] - [ -0.0002447400000000, 0.0000478100000000, 0.0000997400000000 ] - [ -0.0001791400000000, -0.0003228600000000, 0.0002312300000000 ] - [ -0.0001885200000000, 0.0000465300000000, -0.0004380100000000 ] - [ 0.0000686200000000, 0.0000001500000000, 0.0001141200000000 ] - [ 0.0003502600000000, -0.0000883200000000, 0.0005191700000000 ] - [ 0.0001416500000000, -0.0001271100000000, -0.0001483100000000 ] - [ 0.0000947100000000, -0.0000059400000000, 0.0001027800000000 ] - [ -0.0001271800000000, 0.0002259600000000, 0.0001812300000000 ] - [ -0.0002793300000000, -0.0000808700000000, -0.0001734700000000 ] - [ -0.0003097500000000, 0.0001747200000000, -0.0002995100000000 ] - [ -0.0000637400000000, -0.0002112000000000, -0.0001605700000000 ] - [ -0.0003884000000000, 0.0003767200000000, 0.0006532400000000 ] - [ 0.0001397600000000, 0.0001426600000000, 0.0000228600000000 ] - [ 0.0021763700000000, 0.0016894600000000, 0.0034974700000000 ] - [ -0.0002740500000000, -0.0000174700000000, 0.0001766200000000 ] - [ 0.0000039300000000, 0.0000629900000000, 0.0002346800000000 ] - [ -0.0001001500000000, 0.0001880700000000, -0.0000875700000000 ] - [ -0.0001141200000000, 0.0001017200000000, -0.0000330900000000 ] - [ -0.0000344300000000, 0.0001824100000000, -0.0003505000000000 ] - [ -0.0001038100000000, -0.0001444000000000, 0.0003068000000000 ] - [ 0.0005590500000000, 0.0005963600000000, -0.0005861700000000 ] - [ 0.0002840400000000, 0.0002023900000000, 0.0003982700000000 ] - [ 0.0001203800000000, -0.0005153100000000, -0.0002339500000000 ] - [ -0.0000467100000000, 0.0001212700000000, 0.0000495400000000 ] - [ -0.0000808000000000, 0.0000244500000000, 0.0000095800000000 ] - [ -0.0001811000000000, 0.0000660900000000, 0.0004061600000000 ] - [ -0.0016673700000000, -0.0010715400000000, -0.0029222000000000 ] - [ 0.0000163800000000, -0.0001303100000000, 0.0000069100000000 ] - [ 0.0000445400000000, 0.0002099000000000, 0.0001678900000000 ] - [ 0.0000821100000000, 0.0002294800000000, 0.0000637100000000 ] - [ 0.0006817500000000, -0.0001583800000000, -0.0004217900000000 ] - [ -0.0002350100000000, -0.0001298300000000, -0.0002251700000000 ] - [ -0.0000844500000000, -0.0000190800000000, 0.0000718500000000 ] - [ -0.0000291200000000, -0.0000334600000000, -0.0002314700000000 ] - [ 0.0000005600000000, 0.0001037300000000, 0.0003711000000000 ] - [ -0.0000253400000000, -0.0000339500000000, 0.0002216700000000 ] - [ -0.0000861800000000, 0.0002205600000000, -0.0002914000000000 ] - [ -0.0000268400000000, -0.0000848600000000, -0.0001584600000000 ] - [ -0.0000905700000000, -0.0000115400000000, 0.0001517300000000 ] - [ 0.0001248500000000, 0.0004949800000000, 0.0003556300000000 ] - [ 0.0014385500000000, -0.0001423500000000, -0.0000314200000000 ] - [ 0.0002060500000000, -0.0000694700000000, -0.0000670600000000 ] - [ 0.0001433200000000, 0.0000291600000000, -0.0002563500000000 ] - [ -0.0001657500000000, 0.0003961400000000, -0.0001304700000000 ] - [ 0.0001150800000000, 0.0001906600000000, 0.0002207900000000 ] - [ -0.0000506700000000, -0.0000314800000000, -0.0002850100000000 ] - [ 0.0010761200000000, 0.0020234800000000, -0.0031583400000000 ] - [ -0.0000881000000000, 0.0002860200000000, 0.0001135800000000 ] - [ 0.0002911800000000, 0.0004479500000000, -0.0003591700000000 ] - [ 0.0007901800000000, -0.0000308300000000, 0.0002200900000000 ] - [ -0.0009186300000000, 0.0027066400000000, -0.0004278600000000 ] - [ 0.0001941700000000, -0.0003723800000000, -0.0009484800000000 ] - [ -0.0000472600000000, -0.0002740900000000, 0.0001774100000000 ] - [ 0.0004439700000000, -0.0001128300000000, 0.0000569100000000 ] - [ 0.0242292200000000, 0.0159844700000000, 0.0104748300000000 ] - [ -0.0000848300000000, -0.0001430200000000, -0.0002350400000000 ] - [ -0.0001313500000000, -0.0001221100000000, 0.0000257200000000 ] - [ -0.0000763100000000, 0.0003518400000000, -0.0000439100000000 ] - [ 0.0001940800000000, 0.0001179800000000, 0.0002005600000000 ] - [ 0.0000257400000000, -0.0002698900000000, 0.0000497100000000 ] - [ 0.0010507900000000, 0.0000113100000000, -0.0004062400000000 ] - [ 0.0000387900000000, 0.0000456500000000, -0.0000115000000000 ] - [ -0.0000029200000000, 0.0015716100000000, 0.0011834900000000 ] - [ 0.0005597700000000, -0.0002299700000000, -0.0000456800000000 ] - [ 0.0000487000000000, -0.0004800400000000, 0.0000263300000000 ] - [ -0.0024411400000000, 0.0048766500000000, 0.0041020800000000 ] - [ -0.0004585300000000, -0.0001406600000000, 0.0000310300000000 ] - [ 0.0000216200000000, -0.0002672400000000, -0.0001959100000000 ] - [ 0.0000196700000000, -0.0000319800000000, -0.0000545700000000 ] - [ -0.0000088500000000, 0.0001010300000000, -0.0000663400000000 ] - [ -0.0004965000000000, -0.0000893500000000, -0.0000266600000000 ] - [ 0.0001301400000000, -0.0003922600000000, 0.0000277300000000 ] - [ 0.0000384800000000, -0.0001024600000000, -0.0000611400000000 ] - [ -0.0000165900000000, -0.0005025600000000, 0.0001348400000000 ] - [ -0.0000927700000000, 0.0000598800000000, -0.0000543900000000 ] - [ -0.0005509700000000, 0.0058024100000000, 0.0044587000000000 ] - [ -0.0000734800000000, -0.0002003700000000, -0.0000067100000000 ] - [ 0.0000515000000000, -0.0001813300000000, 0.0000854300000000 ] - [ -0.0000554500000000, 0.0002464200000000, -0.0000062600000000 ] - [ -0.0008843400000000, 0.0067086900000000, -0.0046562700000000 ] - [ 0.0000138000000000, -0.0002004000000000, 0.0000573000000000 ] - [ -0.0027391500000000, 0.0052851800000000, -0.0045720200000000 ] - [ -0.0001525200000000, 0.0000922400000000, -0.0000322000000000 ] - [ 0.0000720900000000, -0.0005555500000000, -0.0001355900000000 ] - [ 0.0000327700000000, -0.0000805200000000, 0.0000482600000000 ] - [ -0.0001914800000000, 0.0001400800000000, 0.0001126800000000 ] - [ 0.0000032000000000, 0.0000542700000000, 0.0000495900000000 ] - [ -0.0000783300000000, -0.0000244800000000, 0.0000855100000000 ] - [ 0.0001741400000000, -0.0007128700000000, 0.0002970700000000 ] - [ -0.0000139000000000, -0.0002109100000000, -0.0000447800000000 ] - [ -0.0001157700000000, -0.0000001000000000, 0.0002156600000000 ] - [ 0.0002121200000000, 0.0005577900000000, -0.0000322800000000 ] - [ 0.0001310400000000, -0.0001883400000000, -0.0001732900000000 ] - [ -0.0000645400000000, -0.0001031800000000, 0.0000968400000000 ] - [ -0.0000498100000000, 0.0000853700000000, -0.0002793200000000 ] - [ 0.0004108400000000, 0.0004736000000000, -0.0001110000000000 ] - [ -0.0000166600000000, -0.0005934800000000, 0.0000603100000000 ]- atom: 13 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000525100000000, 0.0000339100000000, 0.0000233000000000 ] - [ -0.0003739600000000, 0.0003034000000000, 0.0001139300000000 ] - [ 0.0010120400000000, -0.0003935100000000, 0.0004459300000000 ] - [ -0.0000409800000000, -0.0002583900000000, 0.0000309400000000 ] - [ -0.0000141200000000, -0.0003256200000000, -0.0002264500000000 ] - [ 0.0005330700000000, 0.0006931100000000, -0.0001658300000000 ] - [ 0.0000247200000000, -0.0000906600000000, -0.0000082600000000 ] - [ 0.0000004100000000, -0.0001101500000000, -0.0000663500000000 ] - [ 0.0000092700000000, 0.0000066700000000, -0.0000228700000000 ] - [ 0.0001284600000000, 0.0007640200000000, -0.0001525600000000 ] - [ 0.0000083600000000, -0.0001381400000000, 0.0001334400000000 ] - [ -0.0000295900000000, -0.0003727300000000, -0.0000107700000000 ] - [ 0.0184487200000000, 0.0458300100000000, 0.0078853900000000 ] - [ -0.0001165400000000, -0.0000674700000000, -0.0000865700000000 ] - [ 0.0001328600000000, -0.0001202700000000, -0.0000402800000000 ] - [ 0.0001679100000000, -0.0000618600000000, 0.0000165100000000 ] - [ 0.0009414100000000, -0.0006434700000000, 0.0000543800000000 ] - [ -0.0001956200000000, 0.0006351900000000, 0.0000523000000000 ] - [ 0.0003935800000000, -0.0003985400000000, -0.0005515700000000 ] - [ 0.0000097800000000, -0.0001139300000000, -0.0000487500000000 ] - [ 0.0000387200000000, 0.0002100100000000, -0.0000696400000000 ] - [ 0.0001327900000000, -0.0001750000000000, 0.0002433600000000 ] - [ -0.0000908500000000, -0.0001014700000000, 0.0001076500000000 ] - [ 0.0006435600000000, -0.0013447700000000, -0.0001576100000000 ] - [ -0.0001343500000000, 0.0009003400000000, 0.0000754800000000 ] - [ -0.0000033600000000, -0.0001314200000000, 0.0000012600000000 ] - [ -0.0000190800000000, -0.0000499600000000, -0.0000464900000000 ] - [ 0.0001398100000000, -0.0000934800000000, -0.0002089000000000 ] - [ -0.0001115800000000, 0.0004721800000000, -0.0002098100000000 ] - [ 0.0001704400000000, -0.0001488800000000, 0.0000817600000000 ] - [ 0.0000118200000000, 0.0000997700000000, 0.0000177100000000 ] - [ 0.0002908800000000, -0.0004583500000000, -0.0000944500000000 ] - [ 0.0000186700000000, 0.0003036300000000, -0.0000548400000000 ] - [ 0.0000296400000000, -0.0000297200000000, 0.0002622400000000 ] - [ 0.0000895500000000, -0.0000176000000000, -0.0002899500000000 ] - [ -0.0001949000000000, 0.0001063800000000, -0.0003457300000000 ] - [ 0.0001378100000000, 0.0002404900000000, -0.0001838300000000 ] - [ 0.0001850100000000, -0.0001096100000000, 0.0002297900000000 ] - [ -0.0001525200000000, -0.0001122900000000, 0.0001509600000000 ] - [ 0.0000013000000000, -0.0000327900000000, -0.0001577200000000 ] - [ 0.0000328400000000, -0.0002684200000000, 0.0002971400000000 ] - [ -0.0002126200000000, 0.0003039000000000, 0.0001587800000000 ] - [ 0.0006644300000000, -0.0004673800000000, -0.0006515800000000 ] - [ 0.0001365500000000, -0.0000492100000000, -0.0000230800000000 ] - [ -0.0021762300000000, -0.0017459600000000, -0.0038487700000000 ] - [ 0.0002628700000000, 0.0000967400000000, 0.0002233300000000 ] - [ 0.0000084500000000, -0.0001432800000000, 0.0001658300000000 ] - [ 0.0001127200000000, -0.0001087900000000, -0.0003132700000000 ] - [ -0.0000127000000000, -0.0000493100000000, -0.0002789900000000 ] - [ -0.0000931600000000, -0.0002360100000000, 0.0006627900000000 ] - [ 0.0002307100000000, 0.0001964300000000, 0.0000056400000000 ] - [ -0.0004218700000000, -0.0006359200000000, 0.0002736300000000 ] - [ -0.0000976300000000, -0.0003259200000000, -0.0004354000000000 ] - [ 0.0000316000000000, 0.0006188500000000, 0.0002547300000000 ] - [ -0.0001103900000000, -0.0002372300000000, -0.0000221900000000 ] - [ -0.0000764300000000, 0.0000910100000000, -0.0000361700000000 ] - [ 0.0000670700000000, -0.0002855700000000, -0.0000643200000000 ] - [ 0.0015354800000000, 0.0012917100000000, 0.0025675100000000 ] - [ 0.0000977500000000, -0.0000884100000000, -0.0003473700000000 ] - [ 0.0000696300000000, 0.0000084600000000, 0.0001725500000000 ] - [ 0.0001207400000000, -0.0001108400000000, 0.0001594700000000 ] - [ -0.0004852900000000, 0.0000379100000000, 0.0002012500000000 ] - [ 0.0000329400000000, 0.0002491800000000, 0.0000044900000000 ] - [ -0.0001182700000000, -0.0001004000000000, 0.0001507200000000 ] - [ 0.0000895500000000, -0.0001189600000000, -0.0001695200000000 ] - [ 0.0000614200000000, 0.0000482900000000, 0.0000343000000000 ] - [ -0.0000359100000000, -0.0001185300000000, 0.0001835700000000 ] - [ 0.0000243100000000, -0.0000702400000000, -0.0001133500000000 ] - [ -0.0000400800000000, 0.0000469900000000, -0.0000679000000000 ] - [ 0.0000236800000000, 0.0000487100000000, 0.0000746700000000 ] - [ -0.0000543300000000, -0.0005262700000000, -0.0001250800000000 ] - [ -0.0014267500000000, 0.0001686000000000, -0.0002180200000000 ] - [ 0.0001171200000000, 0.0001528700000000, 0.0000170800000000 ] - [ 0.0001792900000000, -0.0001120100000000, 0.0003037800000000 ] - [ -0.0001564000000000, -0.0003122900000000, 0.0001803200000000 ] - [ -0.0004388600000000, -0.0002757800000000, -0.0002688400000000 ] - [ -0.0000046500000000, 0.0001651700000000, -0.0002557300000000 ] - [ -0.0011193300000000, -0.0021383200000000, 0.0036602200000000 ] - [ 0.0001445100000000, -0.0001521800000000, 0.0004274700000000 ] - [ -0.0002377000000000, -0.0005843000000000, -0.0001795100000000 ] - [ -0.0006515600000000, 0.0002113100000000, 0.0001987500000000 ] - [ 0.0010521900000000, -0.0028696400000000, 0.0000187100000000 ] - [ -0.0003318400000000, 0.0005471600000000, 0.0005284300000000 ] - [ -0.0000897400000000, 0.0000975000000000, 0.0002417100000000 ] - [ -0.0001166700000000, -0.0000442000000000, 0.0002570300000000 ] - [ -0.0235238400000000, -0.0158630000000000, -0.0106623700000000 ] - [ -0.0002434200000000, -0.0000168300000000, -0.0000787100000000 ] - [ -0.0001964100000000, 0.0002811900000000, 0.0002882800000000 ] - [ 0.0001313600000000, -0.0006125900000000, -0.0001142700000000 ] - [ -0.0001407600000000, 0.0001472400000000, -0.0000404400000000 ] - [ -0.0000813000000000, 0.0000066700000000, 0.0001093100000000 ] - [ -0.0011119500000000, 0.0002482500000000, 0.0002498700000000 ] - [ -0.0000549600000000, -0.0000132000000000, -0.0000082500000000 ] - [ -0.0000112300000000, -0.0015972900000000, -0.0011697300000000 ] - [ -0.0005471200000000, 0.0002580700000000, 0.0000671200000000 ] - [ -0.0000297900000000, 0.0004474300000000, -0.0000493300000000 ] - [ 0.0023892300000000, -0.0049182500000000, -0.0038571500000000 ] - [ 0.0004764400000000, 0.0002280800000000, -0.0001710500000000 ] - [ -0.0000413600000000, 0.0001802000000000, 0.0000555600000000 ] - [ -0.0000397300000000, 0.0001194100000000, 0.0001958700000000 ] - [ -0.0001146000000000, -0.0002068200000000, 0.0001031100000000 ] - [ 0.0003742700000000, 0.0001955400000000, -0.0000098900000000 ] - [ -0.0000065200000000, 0.0002852900000000, -0.0000642900000000 ] - [ 0.0000827400000000, 0.0002120500000000, 0.0000938500000000 ] - [ -0.0001973500000000, 0.0006246000000000, 0.0000101300000000 ] - [ -0.0001200000000000, -0.0001797800000000, -0.0000893300000000 ] - [ 0.0007578100000000, -0.0058566000000000, -0.0047999500000000 ] - [ 0.0002863900000000, 0.0000806700000000, 0.0001508900000000 ] - [ -0.0001349500000000, 0.0001339800000000, -0.0000817100000000 ] - [ -0.0000286600000000, -0.0001998200000000, 0.0000016000000000 ] - [ 0.0009749700000000, -0.0069421500000000, 0.0048656700000000 ] - [ 0.0000701400000000, 0.0002482500000000, -0.0000519800000000 ] - [ 0.0026351300000000, -0.0052385000000000, 0.0043496900000000 ] - [ 0.0001147800000000, -0.0001117300000000, 0.0001608700000000 ] - [ -0.0000350900000000, 0.0005782700000000, 0.0002656800000000 ] - [ 0.0000046000000000, 0.0000598000000000, -0.0001767500000000 ] - [ 0.0000817800000000, 0.0001045800000000, -0.0000767400000000 ] - [ -0.0001126200000000, -0.0002992800000000, -0.0000861300000000 ] - [ 0.0001857600000000, 0.0002683000000000, -0.0001174300000000 ] - [ -0.0000643300000000, 0.0004701000000000, -0.0002626700000000 ] - [ -0.0000811600000000, 0.0003850300000000, -0.0000127200000000 ] - [ 0.0000204000000000, -0.0001752800000000, -0.0001590100000000 ] - [ -0.0001168400000000, -0.0003887900000000, 0.0000883100000000 ] - [ -0.0000348600000000, 0.0000152300000000, 0.0001160000000000 ] - [ 0.0001021700000000, 0.0001264700000000, 0.0000836100000000 ] - [ 0.0000872000000000, -0.0001094500000000, 0.0000995200000000 ] - [ -0.0004443200000000, -0.0004506200000000, -0.0000681000000000 ] - [ -0.0000200800000000, 0.0005708600000000, 0.0001211400000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000687500000000, 0.0000412500000000, 0.0002846700000000 ] - [ -0.0004151700000000, -0.0000134900000000, 0.0001583000000000 ] - [ 0.0006885000000000, -0.0003655300000000, 0.0003218100000000 ] - [ 0.0001577900000000, 0.0000144400000000, -0.0001758000000000 ] - [ -0.0001116900000000, 0.0005104200000000, 0.0002199400000000 ] - [ -0.0007401200000000, -0.0002665900000000, -0.0012101000000000 ] - [ 0.0000966100000000, -0.0000067200000000, 0.0002786200000000 ] - [ 0.0000473700000000, 0.0000810300000000, 0.0000653500000000 ] - [ 0.0000703600000000, 0.0000058400000000, 0.0001304500000000 ] - [ -0.0001064100000000, -0.0001530300000000, 0.0016474900000000 ] - [ 0.0002149400000000, -0.0004247900000000, 0.0002501700000000 ] - [ -0.0000782100000000, 0.0000200300000000, -0.0002342600000000 ] - [ -0.0241276900000000, -0.0078365500000000, -0.0448544400000000 ] - [ -0.0001340700000000, -0.0000208300000000, -0.0001050300000000 ] - [ 0.0001604900000000, 0.0000662600000000, 0.0000985200000000 ] - [ 0.0000984700000000, -0.0000905800000000, 0.0002775800000000 ] - [ -0.0000339700000000, -0.0000402600000000, -0.0006745300000000 ] - [ 0.0002513600000000, 0.0002106700000000, 0.0001672400000000 ] - [ -0.0002902900000000, 0.0002997100000000, 0.0004472900000000 ] - [ 0.0000173600000000, -0.0000009200000000, 0.0001252300000000 ] - [ 0.0001528500000000, 0.0000947900000000, 0.0002011200000000 ] - [ 0.0001264300000000, -0.0004788500000000, 0.0004220500000000 ] - [ -0.0000901300000000, 0.0000122500000000, 0.0000457600000000 ] - [ -0.0001557700000000, 0.0000858600000000, -0.0007478700000000 ] - [ -0.0001106000000000, 0.0000816800000000, 0.0014942000000000 ] - [ 0.0000110900000000, -0.0000798600000000, -0.0003454700000000 ] - [ -0.0000642400000000, 0.0000649400000000, 0.0001529600000000 ] - [ -0.0002538200000000, 0.0000869000000000, 0.0002531400000000 ] - [ 0.0000225500000000, 0.0004360100000000, 0.0004782800000000 ] - [ 0.0004259700000000, -0.0005891100000000, -0.0002080000000000 ] - [ -0.0000024700000000, 0.0001184700000000, 0.0001076400000000 ] - [ -0.0000657900000000, 0.0000311300000000, -0.0001505100000000 ] - [ -0.0003348200000000, -0.0003619600000000, 0.0001361700000000 ] - [ 0.0000421800000000, 0.0002682400000000, 0.0001549600000000 ] - [ 0.0000764100000000, -0.0000040300000000, 0.0002385300000000 ] - [ 0.0003082000000000, -0.0000331200000000, 0.0003764500000000 ] - [ -0.0000077800000000, 0.0000101700000000, 0.0003382700000000 ] - [ 0.0001870200000000, -0.0001403100000000, 0.0002474900000000 ] - [ -0.0001586400000000, 0.0000887200000000, 0.0001553400000000 ] - [ -0.0003435800000000, -0.0001432900000000, -0.0005417000000000 ] - [ -0.0000845400000000, -0.0000477600000000, -0.0001513200000000 ] - [ -0.0000500800000000, 0.0001220400000000, 0.0005190900000000 ] - [ -0.0002743500000000, 0.0007542000000000, 0.0004150300000000 ] - [ 0.0001307400000000, 0.0000807000000000, 0.0000758100000000 ] - [ 0.0016338600000000, 0.0028716300000000, 0.0017166700000000 ] - [ -0.0003806900000000, 0.0002662800000000, -0.0002524700000000 ] - [ 0.0000328300000000, -0.0000022700000000, 0.0003767300000000 ] - [ -0.0000613400000000, 0.0001514600000000, 0.0000162200000000 ] - [ -0.0000282700000000, -0.0001256900000000, 0.0000067500000000 ] - [ -0.0000562800000000, -0.0001321800000000, 0.0007092200000000 ] - [ 0.0000660500000000, 0.0000549000000000, -0.0000463100000000 ] - [ 0.0008429500000000, 0.0008766100000000, -0.0006932300000000 ] - [ 0.0008476900000000, 0.0000182200000000, -0.0004962100000000 ] - [ 0.0001557300000000, -0.0003264800000000, -0.0003380300000000 ] - [ -0.0001188400000000, -0.0000996800000000, 0.0001172000000000 ] - [ -0.0001192800000000, 0.0000880000000000, 0.0001987300000000 ] - [ -0.0000680400000000, -0.0001304800000000, -0.0000884600000000 ] - [ 0.0043056000000000, -0.0000141400000000, 0.0023814600000000 ] - [ 0.0000452000000000, -0.0000586000000000, 0.0000885500000000 ] - [ 0.0000708100000000, 0.0000621400000000, 0.0003217700000000 ] - [ 0.0000953800000000, 0.0000444100000000, 0.0000540500000000 ] - [ -0.0003651400000000, -0.0000760100000000, -0.0001059700000000 ] - [ 0.0000263300000000, 0.0002508400000000, 0.0001885700000000 ] - [ -0.0001857200000000, -0.0002568400000000, 0.0002006200000000 ] - [ 0.0000958900000000, 0.0000190700000000, 0.0003678000000000 ] - [ -0.0000159600000000, -0.0000244700000000, -0.0000114300000000 ] - [ 0.0000741600000000, 0.0001529200000000, 0.0000872100000000 ] - [ 0.0000851200000000, 0.0001678700000000, -0.0003597800000000 ] - [ -0.0000765300000000, 0.0000083100000000, -0.0001024000000000 ] - [ -0.0000368700000000, -0.0000110200000000, 0.0001216300000000 ] - [ -0.0000048200000000, 0.0001650700000000, 0.0004051000000000 ] - [ -0.0005015100000000, -0.0003374100000000, -0.0009956600000000 ] - [ 0.0001580500000000, 0.0000807100000000, 0.0001799700000000 ] - [ 0.0001040800000000, -0.0003993900000000, 0.0002873400000000 ] - [ -0.0000472000000000, 0.0000039600000000, -0.0001175700000000 ] - [ -0.0002677800000000, -0.0002770500000000, -0.0004337600000000 ] - [ -0.0000528800000000, 0.0001344100000000, -0.0000415600000000 ] - [ -0.0007877100000000, -0.0030121900000000, 0.0018470700000000 ] - [ 0.0001112100000000, -0.0000819900000000, 0.0005185100000000 ] - [ 0.0003473200000000, 0.0004889300000000, -0.0005883200000000 ] - [ 0.0000664000000000, 0.0001276500000000, 0.0008716000000000 ] - [ -0.0003834300000000, -0.0007699300000000, -0.0023354900000000 ] - [ 0.0001405900000000, -0.0005020000000000, -0.0009404700000000 ] - [ -0.0000542500000000, -0.0000847900000000, -0.0001360700000000 ] - [ 0.0004313800000000, -0.0002491400000000, 0.0004417700000000 ] - [ 0.0188710700000000, 0.0097417200000000, 0.0130846100000000 ] - [ -0.0001451000000000, -0.0002044000000000, -0.0005703000000000 ] - [ -0.0002076800000000, 0.0000406800000000, -0.0000936000000000 ] - [ 0.0000959700000000, -0.0002192400000000, -0.0006347500000000 ] - [ -0.0001872300000000, 0.0004484300000000, 0.0000768700000000 ] - [ -0.0000058000000000, -0.0001149300000000, 0.0000606200000000 ] - [ 0.0002338300000000, -0.0001942800000000, 0.0006540600000000 ] - [ -0.0000119700000000, -0.0000183900000000, -0.0002938800000000 ] - [ 0.0007494100000000, 0.0002181000000000, -0.0011043200000000 ] - [ -0.0002979900000000, 0.0004477500000000, -0.0000920200000000 ] - [ -0.0000071000000000, -0.0000306100000000, 0.0006173400000000 ] - [ -0.0029089100000000, 0.0040703700000000, 0.0067900400000000 ] - [ -0.0004635000000000, -0.0001014200000000, 0.0005733600000000 ] - [ -0.0000085700000000, -0.0001530900000000, -0.0003068000000000 ] - [ 0.0000032900000000, -0.0000704800000000, -0.0001666800000000 ] - [ 0.0002006200000000, -0.0002126800000000, -0.0004648200000000 ] - [ 0.0003137700000000, 0.0003634000000000, 0.0000263800000000 ] - [ 0.0001833100000000, -0.0000558900000000, -0.0002383500000000 ] - [ -0.0000225700000000, 0.0001704800000000, 0.0001093000000000 ] - [ -0.0003597300000000, 0.0004947000000000, 0.0002343300000000 ] - [ -0.0002817600000000, -0.0000514200000000, -0.0003873700000000 ] - [ -0.0005156900000000, 0.0042560100000000, 0.0048903900000000 ] - [ -0.0000234300000000, -0.0000841900000000, -0.0000243800000000 ] - [ -0.0000759500000000, 0.0001228200000000, -0.0002954600000000 ] - [ -0.0000399200000000, 0.0001054500000000, -0.0003509800000000 ] - [ 0.0013667300000000, -0.0058727500000000, 0.0080675200000000 ] - [ 0.0000308400000000, 0.0000575300000000, 0.0002057600000000 ] - [ 0.0025388600000000, -0.0037806200000000, 0.0058479600000000 ] - [ -0.0001118100000000, -0.0001223400000000, -0.0001708500000000 ] - [ 0.0000522200000000, -0.0000973400000000, 0.0001836000000000 ] - [ -0.0000141300000000, 0.0000746000000000, -0.0002953400000000 ] - [ 0.0000981800000000, 0.0001576900000000, -0.0003000900000000 ] - [ -0.0003392200000000, -0.0000017300000000, -0.0005863600000000 ] - [ -0.0000653700000000, 0.0002185000000000, 0.0003998000000000 ] - [ 0.0001143700000000, 0.0000055400000000, 0.0003087000000000 ] - [ -0.0000248300000000, 0.0000797000000000, 0.0000359400000000 ] - [ 0.0000816900000000, 0.0002552800000000, -0.0005076900000000 ] - [ 0.0004090700000000, -0.0001145900000000, 0.0001744600000000 ] - [ 0.0001097300000000, -0.0002099100000000, -0.0002276400000000 ] - [ -0.0000023000000000, -0.0000133000000000, -0.0000825500000000 ] - [ -0.0000491900000000, -0.0002563400000000, -0.0006423300000000 ] - [ -0.0007278600000000, -0.0004025100000000, 0.0007197500000000 ] - [ 0.0001369000000000, -0.0004961100000000, 0.0004684500000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0001728100000000, -0.0000376000000000, -0.0002338100000000 ] - [ 0.0001733800000000, 0.0000105500000000, -0.0002085500000000 ] - [ -0.0004482200000000, 0.0003726700000000, -0.0003757400000000 ] - [ 0.0000823700000000, -0.0000192600000000, 0.0002281100000000 ] - [ 0.0000605100000000, -0.0005819300000000, -0.0002495400000000 ] - [ 0.0006915200000000, 0.0003349000000000, 0.0012357300000000 ] - [ -0.0000439900000000, -0.0000625400000000, -0.0002508100000000 ] - [ 0.0000050900000000, -0.0000123100000000, -0.0000934700000000 ] - [ 0.0000424800000000, -0.0000316200000000, -0.0001673200000000 ] - [ 0.0002200300000000, 0.0001803000000000, -0.0016349900000000 ] - [ -0.0003271200000000, 0.0003999700000000, -0.0002139700000000 ] - [ -0.0000337600000000, 0.0000048700000000, 0.0001981900000000 ] - [ 0.0238838200000000, 0.0080016900000000, 0.0449593800000000 ] - [ -0.0001620800000000, -0.0001287300000000, 0.0000390000000000 ] - [ 0.0001360800000000, 0.0000819600000000, -0.0001640000000000 ] - [ 0.0001980500000000, -0.0000583700000000, -0.0002125000000000 ] - [ 0.0000504400000000, 0.0000216900000000, 0.0006329100000000 ] - [ -0.0002411800000000, -0.0001953400000000, -0.0001262000000000 ] - [ 0.0002801400000000, -0.0003163900000000, -0.0004047000000000 ] - [ -0.0000296900000000, 0.0000176800000000, -0.0001690800000000 ] - [ 0.0000196700000000, -0.0000039500000000, -0.0003667600000000 ] - [ 0.0000469300000000, 0.0003893800000000, -0.0002577200000000 ] - [ -0.0000816800000000, 0.0000782100000000, 0.0001193700000000 ] - [ -0.0000167500000000, -0.0001727200000000, 0.0005842200000000 ] - [ 0.0001583500000000, 0.0000295900000000, -0.0014299200000000 ] - [ 0.0000377000000000, -0.0000321500000000, 0.0002913500000000 ] - [ 0.0000149500000000, 0.0000468400000000, -0.0002076400000000 ] - [ 0.0002050700000000, -0.0001984000000000, -0.0001988200000000 ] - [ -0.0000680500000000, -0.0000244700000000, -0.0004740600000000 ] - [ -0.0004774300000000, 0.0001796100000000, 0.0002040900000000 ] - [ 0.0000482800000000, 0.0002933800000000, -0.0001140300000000 ] - [ 0.0001122000000000, -0.0004433300000000, 0.0001566800000000 ] - [ 0.0001761300000000, 0.0003460900000000, 0.0000390000000000 ] - [ -0.0002013600000000, -0.0002527700000000, -0.0003330900000000 ] - [ 0.0000819700000000, -0.0000131900000000, -0.0004147600000000 ] - [ -0.0001509400000000, 0.0000505800000000, -0.0002007800000000 ] - [ 0.0002885000000000, 0.0001047100000000, -0.0006720200000000 ] - [ 0.0000932300000000, 0.0000253300000000, 0.0000848300000000 ] - [ -0.0001219100000000, 0.0000259700000000, 0.0001766900000000 ] - [ 0.0000637500000000, 0.0000296200000000, 0.0002081100000000 ] - [ -0.0001910200000000, -0.0000444300000000, 0.0001520800000000 ] - [ -0.0002246600000000, -0.0000306800000000, -0.0005211300000000 ] - [ 0.0005488300000000, -0.0008459000000000, -0.0004146100000000 ] - [ 0.0001448700000000, 0.0000109000000000, -0.0000763200000000 ] - [ -0.0016409900000000, -0.0029137100000000, -0.0021071500000000 ] - [ 0.0003630000000000, -0.0001887500000000, 0.0006501900000000 ] - [ -0.0000196300000000, -0.0000761800000000, 0.0000235600000000 ] - [ 0.0000749400000000, -0.0000738300000000, -0.0004171100000000 ] - [ -0.0000996200000000, 0.0001786700000000, -0.0003187400000000 ] - [ -0.0000716400000000, 0.0000779600000000, -0.0003966500000000 ] - [ 0.0000611500000000, -0.0000034000000000, 0.0003583600000000 ] - [ -0.0007337100000000, -0.0009317400000000, 0.0003804700000000 ] - [ -0.0006993100000000, -0.0001458900000000, 0.0004651700000000 ] - [ -0.0000028000000000, 0.0004336400000000, 0.0003584900000000 ] - [ -0.0000376700000000, -0.0000161300000000, -0.0000897000000000 ] - [ -0.0000375600000000, 0.0000273900000000, -0.0002258800000000 ] - [ -0.0000447700000000, -0.0000867500000000, 0.0004286800000000 ] - [ -0.0043755300000000, 0.0002046200000000, -0.0027088800000000 ] - [ 0.0000676300000000, -0.0001578600000000, -0.0004292100000000 ] - [ 0.0000422300000000, 0.0001544700000000, 0.0000181000000000 ] - [ 0.0001077400000000, 0.0000750400000000, 0.0001688400000000 ] - [ 0.0005690100000000, -0.0000430900000000, -0.0001179700000000 ] - [ -0.0002295900000000, -0.0001315100000000, -0.0004122100000000 ] - [ -0.0000174900000000, 0.0001369800000000, 0.0000219800000000 ] - [ -0.0000315100000000, -0.0001705000000000, -0.0007758800000000 ] - [ 0.0000777100000000, 0.0001785200000000, 0.0004192200000000 ] - [ -0.0001354200000000, -0.0003056400000000, 0.0003185000000000 ] - [ -0.0001472200000000, -0.0000153800000000, -0.0000451900000000 ] - [ 0.0000098200000000, -0.0000462900000000, -0.0001235600000000 ] - [ -0.0000297200000000, 0.0000494800000000, 0.0001050200000000 ] - [ 0.0000743200000000, -0.0001971400000000, -0.0001755400000000 ] - [ 0.0005862400000000, 0.0003845500000000, 0.0007892200000000 ] - [ 0.0001644500000000, 0.0000029200000000, -0.0002298800000000 ] - [ 0.0002194800000000, 0.0003163600000000, -0.0002364200000000 ] - [ -0.0002757000000000, 0.0000797500000000, 0.0001670200000000 ] - [ -0.0000550300000000, 0.0001943700000000, 0.0003820600000000 ] - [ -0.0000023900000000, -0.0000004300000000, -0.0005001500000000 ] - [ 0.0007343300000000, 0.0028926000000000, -0.0012952900000000 ] - [ -0.0000558900000000, 0.0002163500000000, 0.0000215200000000 ] - [ -0.0002944800000000, -0.0006265500000000, 0.0000501500000000 ] - [ 0.0000679900000000, 0.0000475200000000, -0.0004546100000000 ] - [ 0.0005143600000000, 0.0005927500000000, 0.0019194300000000 ] - [ -0.0002774900000000, 0.0006771500000000, 0.0005217500000000 ] - [ -0.0000824300000000, -0.0000906200000000, 0.0005556100000000 ] - [ -0.0001049300000000, 0.0000899700000000, -0.0001247800000000 ] - [ -0.0183872900000000, -0.0094962900000000, -0.0135202500000000 ] - [ -0.0001825000000000, 0.0000448400000000, 0.0002540000000000 ] - [ -0.0001187300000000, 0.0001199100000000, 0.0004109500000000 ] - [ -0.0000426800000000, -0.0000433300000000, 0.0004802100000000 ] - [ 0.0002415400000000, -0.0001876400000000, 0.0000783500000000 ] - [ -0.0000494500000000, -0.0001474800000000, 0.0000952000000000 ] - [ -0.0002871100000000, 0.0004557600000000, -0.0008101900000000 ] - [ -0.0000054000000000, 0.0000513200000000, 0.0002735500000000 ] - [ -0.0007710100000000, -0.0002630900000000, 0.0011185900000000 ] - [ 0.0003161200000000, -0.0004156000000000, 0.0001132200000000 ] - [ 0.0000237100000000, -0.0000011800000000, -0.0006407100000000 ] - [ 0.0028020400000000, -0.0040199000000000, -0.0065188600000000 ] - [ 0.0004819400000000, 0.0001927500000000, -0.0007114700000000 ] - [ -0.0000109700000000, 0.0000665100000000, 0.0001664500000000 ] - [ -0.0000225900000000, 0.0001584200000000, 0.0003078300000000 ] - [ -0.0003231500000000, 0.0001061300000000, 0.0005002500000000 ] - [ -0.0004348400000000, -0.0002545200000000, -0.0000641200000000 ] - [ -0.0000599900000000, -0.0000509400000000, 0.0002029000000000 ] - [ 0.0001457800000000, -0.0000682800000000, -0.0000746100000000 ] - [ 0.0001460500000000, -0.0003727900000000, -0.0000897900000000 ] - [ 0.0000688100000000, -0.0000691700000000, 0.0002434500000000 ] - [ 0.0007249800000000, -0.0042924200000000, -0.0051286400000000 ] - [ 0.0002364300000000, -0.0000359300000000, 0.0001688800000000 ] - [ -0.0000078200000000, -0.0001721500000000, 0.0002998300000000 ] - [ -0.0000430600000000, -0.0000564900000000, 0.0003468200000000 ] - [ -0.0012684400000000, 0.0056050700000000, -0.0079161800000000 ] - [ 0.0000522800000000, -0.0000071500000000, -0.0002017800000000 ] - [ -0.0027040500000000, 0.0039263700000000, -0.0060977100000000 ] - [ 0.0000736400000000, 0.0001035400000000, 0.0003010200000000 ] - [ -0.0000151900000000, 0.0001180200000000, -0.0000549800000000 ] - [ 0.0000520600000000, -0.0000946600000000, 0.0001662500000000 ] - [ -0.0002074100000000, 0.0000871400000000, 0.0003350900000000 ] - [ 0.0002316300000000, -0.0002446300000000, 0.0005537000000000 ] - [ 0.0001765400000000, 0.0000255900000000, -0.0004372500000000 ] - [ -0.0000052500000000, -0.0002498300000000, -0.0002740300000000 ] - [ -0.0000704700000000, 0.0000974000000000, -0.0000926300000000 ] - [ -0.0001771300000000, -0.0004301700000000, 0.0005640500000000 ] - [ -0.0003142100000000, 0.0002905700000000, -0.0001223400000000 ] - [ -0.0000136200000000, 0.0000341900000000, 0.0001711700000000 ] - [ 0.0000387100000000, 0.0000372100000000, 0.0002631800000000 ] - [ 0.0000857800000000, 0.0002360400000000, 0.0004642900000000 ] - [ 0.0006927900000000, 0.0004229300000000, -0.0008985900000000 ] - [ -0.0001720500000000, 0.0004738600000000, -0.0002870200000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001467000000000, 0.0000091200000000, 0.0000458400000000 ] - [ 0.0013589200000000, -0.0003477400000000, -0.0006707700000000 ] - [ 0.0001498600000000, 0.0000199800000000, 0.0000063400000000 ] - [ 0.0001167400000000, -0.0000904100000000, -0.0000159200000000 ] - [ -0.0006617200000000, -0.0000924500000000, -0.0001872400000000 ] - [ 0.0003261400000000, 0.0000109200000000, -0.0000220200000000 ] - [ 0.0000324300000000, -0.0000171700000000, 0.0000094900000000 ] - [ 0.0000104800000000, -0.0001259500000000, 0.0001025400000000 ] - [ 0.0000613200000000, -0.0000155300000000, -0.0000119300000000 ] - [ -0.0002727600000000, -0.0001001400000000, 0.0000365700000000 ] - [ -0.0000208000000000, 0.0000554600000000, 0.0000041300000000 ] - [ -0.0004644100000000, 0.0005605300000000, -0.0000684300000000 ] - [ 0.0001923000000000, -0.0008710100000000, -0.0000065600000000 ] - [ 0.0000776500000000, -0.0002717800000000, -0.0002832300000000 ] - [ -0.0002368200000000, 0.0004687900000000, -0.0003220200000000 ] - [ 0.0001630400000000, -0.0000863800000000, 0.0000131800000000 ] - [ -0.0654733600000000, 0.0100218800000000, -0.0006505400000000 ] - [ 0.0008527800000000, -0.0000524900000000, 0.0002141700000000 ] - [ 0.0000003300000000, -0.0000051100000000, -0.0000035500000000 ] - [ -0.0000158000000000, -0.0000173900000000, -0.0000044200000000 ] - [ 0.0000849200000000, 0.0000450000000000, -0.0001047000000000 ] - [ -0.0004423700000000, -0.0001234400000000, 0.0003110800000000 ] - [ -0.0001025800000000, -0.0000939000000000, -0.0000147600000000 ] - [ -0.0000334500000000, -0.0000545900000000, -0.0000998500000000 ] - [ -0.0002207700000000, 0.0000351300000000, -0.0000356500000000 ] - [ -0.0009609900000000, 0.0003420200000000, -0.0001373100000000 ] - [ -0.0000671800000000, 0.0000529800000000, -0.0000062000000000 ] - [ 0.0000189100000000, -0.0000403300000000, 0.0000472700000000 ] - [ 0.0000295700000000, 0.0001934900000000, 0.0000502200000000 ] - [ 0.0031642500000000, 0.0010509900000000, 0.0031515000000000 ] - [ -0.0000709900000000, 0.0003116000000000, 0.0000833400000000 ] - [ 0.0000622800000000, -0.0001548000000000, -0.0000458700000000 ] - [ -0.0003944000000000, 0.0000378100000000, 0.0002060600000000 ] - [ 0.0008677300000000, 0.0007611800000000, 0.0007272100000000 ] - [ 0.0001187600000000, 0.0000190500000000, -0.0000653500000000 ] - [ 0.0000214400000000, 0.0000470200000000, 0.0001282700000000 ] - [ 0.0001231400000000, 0.0000193900000000, -0.0001673700000000 ] - [ 0.0004252600000000, -0.0003162900000000, 0.0005272900000000 ] - [ -0.0006995500000000, 0.0006410800000000, 0.0006916500000000 ] - [ -0.0000455600000000, -0.0000010400000000, -0.0001384900000000 ] - [ 0.0009921000000000, -0.0023544400000000, 0.0017655900000000 ] - [ -0.0001298400000000, 0.0001197400000000, -0.0000605400000000 ] - [ 0.0002147700000000, -0.0000520600000000, -0.0000187200000000 ] - [ 0.0000670100000000, 0.0000012400000000, 0.0000028100000000 ] - [ 0.0007952200000000, -0.0011727200000000, 0.0010509900000000 ] - [ 0.0040263100000000, 0.0011855300000000, -0.0030930300000000 ] - [ -0.0000606600000000, 0.0000449400000000, 0.0001424500000000 ] - [ 0.0000133500000000, 0.0000622200000000, -0.0002132500000000 ] - [ -0.0000222300000000, 0.0000226300000000, -0.0001786900000000 ] - [ 0.0002129900000000, -0.0001026400000000, 0.0000155000000000 ] - [ 0.0001270800000000, 0.0000196400000000, 0.0003061800000000 ] - [ 0.0000459000000000, -0.0000580900000000, 0.0000090300000000 ] - [ 0.0000848800000000, 0.0003123700000000, -0.0000164000000000 ] - [ 0.0003829600000000, -0.0001799800000000, 0.0002262100000000 ] - [ 0.0000728500000000, -0.0000409900000000, -0.0000422200000000 ] - [ -0.0001072500000000, 0.0000774600000000, 0.0000783700000000 ] - [ 0.0008585200000000, -0.0022940400000000, -0.0016641900000000 ] - [ 0.0000922100000000, -0.0000174100000000, -0.0001750000000000 ] - [ 0.0000528800000000, -0.0001069400000000, -0.0001691500000000 ] - [ -0.0000133300000000, 0.0000623200000000, 0.0002150500000000 ] - [ 0.0004054500000000, 0.0002564600000000, 0.0001281000000000 ] - [ -0.0000031700000000, 0.0000380400000000, -0.0001479700000000 ] - [ -0.0001500800000000, -0.0002491100000000, -0.0004555500000000 ] - [ -0.0000664700000000, -0.0000300500000000, 0.0000936700000000 ] - [ 0.0000303200000000, -0.0002000000000000, -0.0001467900000000 ] - [ 0.0003126900000000, -0.0002359600000000, -0.0002789200000000 ] - [ -0.0000283100000000, -0.0001216000000000, 0.0002329000000000 ] - [ -0.0001468700000000, 0.0001615300000000, -0.0001063500000000 ] - [ -0.0000408200000000, 0.0000015000000000, -0.0001031600000000 ] - [ 0.0000417600000000, -0.0000308900000000, 0.0001349500000000 ] - [ 0.0001342400000000, -0.0000504500000000, 0.0000744300000000 ] - [ 0.0000762300000000, 0.0001588300000000, -0.0002715100000000 ] - [ 0.0001564200000000, 0.0000770700000000, -0.0000412300000000 ] - [ -0.0000305800000000, -0.0000312600000000, -0.0001677400000000 ] - [ -0.0001324000000000, 0.0000662900000000, 0.0000031500000000 ] - [ -0.0003139000000000, 0.0001836000000000, -0.0001136300000000 ] - [ -0.0000550900000000, 0.0000056700000000, -0.0003226600000000 ] - [ 0.0005387300000000, -0.0013207600000000, -0.0014344600000000 ] - [ 0.0000667400000000, 0.0000964000000000, 0.0002926800000000 ] - [ -0.0000984200000000, 0.0000446200000000, -0.0002946800000000 ] - [ 0.0453531400000000, -0.0178363600000000, 0.0001227700000000 ] - [ -0.0001915800000000, 0.0007463800000000, -0.0012876100000000 ] - [ -0.0000884900000000, 0.0000768800000000, -0.0001519700000000 ] - [ -0.0000321100000000, -0.0000062600000000, 0.0001620300000000 ] - [ 0.0007694200000000, 0.0006476000000000, 0.0020465800000000 ] - [ -0.0007747500000000, 0.0004796900000000, -0.0000319000000000 ] - [ -0.0001565100000000, -0.0000932400000000, -0.0001395500000000 ] - [ 0.0002732700000000, 0.0001400000000000, 0.0000124600000000 ] - [ -0.0000206100000000, -0.0000430400000000, -0.0000234100000000 ] - [ 0.0004845200000000, 0.0008810600000000, -0.0016298300000000 ] - [ 0.0005439400000000, -0.0000943500000000, 0.0001402700000000 ] - [ -0.0001770500000000, 0.0000913400000000, -0.0001168500000000 ] - [ 0.0000714100000000, 0.0000847000000000, 0.0000354500000000 ] - [ 0.0003958200000000, 0.0005062600000000, 0.0010307900000000 ] - [ -0.0000162200000000, -0.0000358700000000, -0.0000217800000000 ] - [ 0.0004945500000000, -0.0002122000000000, 0.0000183800000000 ] - [ 0.0023481700000000, 0.0015722400000000, -0.0017540100000000 ] - [ -0.0009757400000000, 0.0005626800000000, -0.0004645300000000 ] - [ -0.0000100200000000, -0.0000462800000000, -0.0000354800000000 ] - [ -0.0000674700000000, 0.0000575500000000, 0.0000178000000000 ] - [ -0.0000153900000000, -0.0001043300000000, 0.0000173400000000 ] - [ -0.0009812200000000, 0.0004262200000000, 0.0003533100000000 ] - [ 0.0000291400000000, -0.0000841700000000, -0.0000986200000000 ] - [ -0.0000211800000000, 0.0000075500000000, 0.0000029800000000 ] - [ 0.0025011500000000, 0.0017559800000000, -0.0017788000000000 ] - [ -0.0001236100000000, -0.0000521200000000, -0.0000877600000000 ] - [ 0.0002908900000000, 0.0002383600000000, 0.0000276000000000 ] - [ 0.0000221900000000, 0.0000353900000000, 0.0001539600000000 ] - [ 0.0000770300000000, 0.0000244300000000, 0.0000105400000000 ] - [ -0.0001140900000000, 0.0001133900000000, 0.0000932500000000 ] - [ 0.0001898300000000, 0.0001735100000000, -0.0001356600000000 ] - [ -0.0006401200000000, 0.0000814000000000, -0.0003342900000000 ] - [ 0.0022660300000000, 0.0023127500000000, 0.0022152300000000 ] - [ -0.0001620000000000, -0.0000446700000000, 0.0000800000000000 ] - [ 0.0000193900000000, -0.0001235000000000, 0.0001709700000000 ] - [ -0.0000093600000000, 0.0000099600000000, -0.0000305100000000 ] - [ -0.0002224300000000, -0.0000234100000000, 0.0000067100000000 ] - [ 0.0000583600000000, -0.0001929200000000, -0.0000604000000000 ] - [ -0.0000162100000000, 0.0001362400000000, 0.0000034200000000 ] - [ 0.0000669900000000, -0.0002906500000000, -0.0000242200000000 ] - [ -0.0007349700000000, 0.0001070500000000, 0.0003325500000000 ] - [ -0.0000492900000000, -0.0000769000000000, 0.0000112100000000 ] - [ -0.0003351000000000, -0.0003351600000000, -0.0000680500000000 ] - [ 0.0001240100000000, 0.0000147800000000, -0.0000981500000000 ] - [ -0.0000390000000000, 0.0001127300000000, -0.0000446000000000 ] - [ 0.0000842100000000, 0.0000198200000000, -0.0000646300000000 ] - [ -0.0004069200000000, -0.0006357900000000, 0.0000144500000000 ] - [ 0.0035877500000000, 0.0027411000000000, 0.0028524200000000 ]- atom: 17 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000965600000000, -0.0000031600000000, 0.0000068500000000 ] - [ -0.0015888500000000, 0.0003382700000000, 0.0006114100000000 ] - [ 0.0000934500000000, -0.0000142500000000, -0.0000598500000000 ] - [ 0.0001275700000000, 0.0000847800000000, 0.0000693800000000 ] - [ 0.0006101700000000, 0.0000238300000000, 0.0001494700000000 ] - [ -0.0003826600000000, 0.0000557000000000, 0.0000501600000000 ] - [ 0.0000220700000000, -0.0000490500000000, 0.0000193100000000 ] - [ 0.0000438200000000, 0.0001932500000000, -0.0001314300000000 ] - [ 0.0000536100000000, -0.0000089800000000, -0.0000232400000000 ] - [ 0.0003777200000000, 0.0001236300000000, 0.0000007300000000 ] - [ -0.0000942800000000, -0.0000801200000000, 0.0000310000000000 ] - [ 0.0003494400000000, -0.0005418300000000, 0.0000340600000000 ] - [ -0.0004925900000000, 0.0010189600000000, 0.0000706400000000 ] - [ -0.0003704600000000, 0.0001258300000000, 0.0002164900000000 ] - [ 0.0005305500000000, -0.0003196600000000, 0.0002555400000000 ] - [ 0.0001299400000000, -0.0000622700000000, 0.0000530000000000 ] - [ 0.0675588800000000, -0.0111557400000000, 0.0005800200000000 ] - [ -0.0008448200000000, 0.0000637500000000, -0.0001698100000000 ] - [ -0.0000054000000000, -0.0000070900000000, 0.0000476700000000 ] - [ 0.0000107100000000, 0.0000296600000000, -0.0000395400000000 ] - [ 0.0000835900000000, 0.0000426500000000, -0.0000602700000000 ] - [ 0.0006146800000000, 0.0000331600000000, -0.0001398400000000 ] - [ -0.0000664200000000, 0.0001827700000000, 0.0001796700000000 ] - [ -0.0001353000000000, -0.0000333900000000, -0.0000643900000000 ] - [ 0.0002716900000000, 0.0000804500000000, 0.0000855200000000 ] - [ 0.0010627000000000, -0.0004719600000000, 0.0000857600000000 ] - [ 0.0000098900000000, 0.0000607900000000, -0.0000477100000000 ] - [ -0.0000764700000000, -0.0000739000000000, 0.0000069000000000 ] - [ -0.0000771300000000, 0.0002182100000000, -0.0000397500000000 ] - [ -0.0032620900000000, -0.0015084200000000, -0.0032322700000000 ] - [ 0.0001172600000000, 0.0001004200000000, -0.0000919100000000 ] - [ -0.0000159600000000, -0.0002566100000000, 0.0000549900000000 ] - [ 0.0002413900000000, -0.0000575700000000, -0.0000342900000000 ] - [ -0.0010169600000000, -0.0007277700000000, -0.0008869900000000 ] - [ 0.0000382200000000, -0.0000389800000000, -0.0001099700000000 ] - [ 0.0001352500000000, -0.0000267100000000, 0.0000471200000000 ] - [ 0.0001602800000000, 0.0000956600000000, -0.0001644200000000 ] - [ -0.0001418100000000, 0.0002028600000000, -0.0001947400000000 ] - [ 0.0004167200000000, -0.0005236200000000, -0.0003582300000000 ] - [ -0.0002380700000000, -0.0001150400000000, -0.0001930400000000 ] - [ -0.0012643400000000, 0.0023023900000000, -0.0018028200000000 ] - [ -0.0001465400000000, -0.0000319000000000, 0.0000644600000000 ] - [ 0.0000597000000000, -0.0000364600000000, 0.0000235900000000 ] - [ 0.0002076000000000, 0.0000872300000000, -0.0000069400000000 ] - [ -0.0008072000000000, 0.0010843700000000, -0.0014412800000000 ] - [ -0.0041132600000000, -0.0011577100000000, 0.0035796800000000 ] - [ 0.0000743600000000, -0.0001228000000000, 0.0002606400000000 ] - [ 0.0000002700000000, 0.0000159300000000, -0.0001895900000000 ] - [ -0.0001024900000000, 0.0000273400000000, -0.0001342400000000 ] - [ -0.0003404200000000, 0.0000515000000000, 0.0002995800000000 ] - [ -0.0000023900000000, 0.0000297800000000, 0.0000072300000000 ] - [ 0.0000804900000000, 0.0000081600000000, -0.0003223700000000 ] - [ 0.0000732800000000, -0.0004312200000000, -0.0000124900000000 ] - [ -0.0002286400000000, 0.0002998100000000, -0.0001981900000000 ] - [ -0.0002309000000000, -0.0000773000000000, 0.0000719400000000 ] - [ -0.0000497200000000, 0.0000406700000000, -0.0001070400000000 ] - [ -0.0009705600000000, 0.0021165300000000, 0.0020414600000000 ] - [ -0.0002061100000000, 0.0002312300000000, -0.0001714500000000 ] - [ 0.0000592500000000, -0.0001079200000000, -0.0001740700000000 ] - [ 0.0001253400000000, 0.0001523300000000, 0.0001281200000000 ] - [ -0.0002026300000000, -0.0001361900000000, 0.0000995300000000 ] - [ 0.0002069900000000, -0.0001565400000000, -0.0000782000000000 ] - [ -0.0000485800000000, 0.0003721400000000, 0.0002378600000000 ] - [ -0.0001359100000000, -0.0000870600000000, 0.0001321100000000 ] - [ 0.0000307800000000, 0.0000478000000000, -0.0002612300000000 ] - [ -0.0002460600000000, 0.0003920000000000, 0.0006826700000000 ] - [ -0.0000337100000000, -0.0000320500000000, 0.0001748000000000 ] - [ 0.0000867200000000, -0.0000107900000000, -0.0003045700000000 ] - [ -0.0000263200000000, -0.0000384300000000, -0.0001213800000000 ] - [ -0.0001100200000000, 0.0000676700000000, 0.0000892900000000 ] - [ -0.0000675500000000, 0.0000136200000000, 0.0001486300000000 ] - [ -0.0000072700000000, -0.0001218600000000, 0.0000452300000000 ] - [ 0.0001663200000000, 0.0000099300000000, -0.0000119800000000 ] - [ 0.0003505100000000, -0.0000537300000000, 0.0002170200000000 ] - [ -0.0001906400000000, 0.0000203100000000, 0.0000495300000000 ] - [ -0.0000087200000000, -0.0002698000000000, 0.0000606300000000 ] - [ 0.0000005000000000, 0.0001309800000000, -0.0002160000000000 ] - [ -0.0005960300000000, 0.0011779900000000, 0.0019619200000000 ] - [ -0.0000116700000000, 0.0000395400000000, 0.0002462900000000 ] - [ 0.0001537200000000, -0.0001808000000000, -0.0002432600000000 ] - [ -0.0472779200000000, 0.0190249400000000, 0.0002969100000000 ] - [ 0.0003344600000000, -0.0009181200000000, 0.0008634600000000 ] - [ -0.0000510800000000, 0.0001031400000000, -0.0002688400000000 ] - [ -0.0001074200000000, -0.0001727600000000, 0.0002581200000000 ] - [ -0.0004533400000000, -0.0008126700000000, -0.0017407700000000 ] - [ 0.0011090400000000, -0.0003208500000000, -0.0002757700000000 ] - [ -0.0001741400000000, -0.0000637000000000, -0.0001723900000000 ] - [ -0.0006034100000000, 0.0000162500000000, 0.0003002500000000 ] - [ 0.0000775300000000, -0.0002177000000000, -0.0001350000000000 ] - [ -0.0004390400000000, -0.0006234800000000, 0.0017929400000000 ] - [ -0.0006007300000000, -0.0001693700000000, 0.0000178900000000 ] - [ 0.0001211900000000, 0.0001712900000000, -0.0000434900000000 ] - [ -0.0000852600000000, -0.0000552600000000, -0.0000533900000000 ] - [ -0.0003955800000000, -0.0005420600000000, -0.0010248300000000 ] - [ 0.0000299800000000, 0.0000656300000000, 0.0000400500000000 ] - [ -0.0004837900000000, 0.0001835200000000, -0.0000376800000000 ] - [ -0.0023183400000000, -0.0016409700000000, 0.0018833500000000 ] - [ 0.0010021500000000, -0.0004782500000000, 0.0003269600000000 ] - [ -0.0000100000000000, -0.0000416600000000, -0.0001043200000000 ] - [ 0.0000478600000000, 0.0000308500000000, 0.0001218000000000 ] - [ -0.0001062900000000, -0.0000013300000000, 0.0000244000000000 ] - [ 0.0008655100000000, -0.0003259200000000, -0.0003967300000000 ] - [ 0.0000916800000000, -0.0000208700000000, 0.0000588500000000 ] - [ 0.0001417100000000, 0.0000965600000000, 0.0000357300000000 ] - [ -0.0027084200000000, -0.0015884700000000, 0.0018686300000000 ] - [ -0.0000938900000000, -0.0000687200000000, -0.0000559800000000 ] - [ -0.0000731100000000, -0.0001178100000000, -0.0001725700000000 ] - [ 0.0001954100000000, -0.0001574500000000, -0.0000107300000000 ] - [ -0.0001653100000000, -0.0000705100000000, -0.0000063200000000 ] - [ 0.0000239900000000, -0.0000652700000000, -0.0000968100000000 ] - [ -0.0000996900000000, -0.0002212600000000, 0.0001311000000000 ] - [ 0.0007318300000000, -0.0000364800000000, 0.0003396800000000 ] - [ -0.0022939300000000, -0.0022513500000000, -0.0023126200000000 ] - [ 0.0001258000000000, 0.0000244100000000, 0.0000495200000000 ] - [ 0.0000179200000000, 0.0001431500000000, -0.0000424600000000 ] - [ 0.0000464300000000, -0.0000292200000000, -0.0000989400000000 ] - [ 0.0001146700000000, 0.0002671000000000, 0.0000330000000000 ] - [ -0.0001657200000000, -0.0000536800000000, 0.0000214400000000 ] - [ 0.0001235900000000, 0.0001085700000000, -0.0000410600000000 ] - [ 0.0000418300000000, 0.0000455000000000, 0.0000635300000000 ] - [ 0.0006469000000000, 0.0000627400000000, -0.0003910600000000 ] - [ -0.0000420800000000, -0.0000946600000000, 0.0000479200000000 ] - [ 0.0004248700000000, 0.0005112000000000, 0.0001220800000000 ] - [ -0.0000318000000000, -0.0001846500000000, 0.0000409500000000 ] - [ 0.0000806100000000, -0.0000948600000000, 0.0002264500000000 ] - [ -0.0000440500000000, -0.0000372700000000, -0.0001171000000000 ] - [ 0.0003655300000000, 0.0006591100000000, -0.0001934700000000 ] - [ -0.0036180500000000, -0.0027025200000000, -0.0026117200000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001533100000000, -0.0001186700000000, 0.0000130700000000 ] - [ -0.0003088200000000, -0.0000641900000000, 0.0001816600000000 ] - [ 0.0000649700000000, 0.0001719100000000, -0.0000263700000000 ] - [ 0.0001279200000000, 0.0003545000000000, 0.0000536400000000 ] - [ -0.0000296100000000, -0.0010153700000000, 0.0001066900000000 ] - [ -0.0000897700000000, -0.0000654100000000, 0.0000035100000000 ] - [ 0.0000093200000000, 0.0000726300000000, 0.0000123300000000 ] - [ -0.0000011600000000, 0.0003653100000000, -0.0002396200000000 ] - [ 0.0000872500000000, -0.0001329000000000, -0.0000328700000000 ] - [ -0.0007362000000000, 0.0002068000000000, 0.0006704000000000 ] - [ -0.0000246500000000, 0.0001853100000000, -0.0000330500000000 ] - [ -0.0001133300000000, 0.0013013500000000, -0.0000526300000000 ] - [ -0.0008478900000000, 0.0007104200000000, -0.0000006000000000 ] - [ -0.0006007700000000, -0.0007051000000000, 0.0001710200000000 ] - [ 0.0000141900000000, 0.0004630600000000, -0.0003369200000000 ] - [ 0.0001150900000000, 0.0000451100000000, 0.0000400200000000 ] - [ 0.0106853600000000, -0.0508614000000000, -0.0067391400000000 ] - [ 0.0000636900000000, -0.0000627200000000, -0.0001022300000000 ] - [ -0.0000035900000000, 0.0001779200000000, 0.0000442300000000 ] - [ -0.0000259500000000, 0.0000891200000000, -0.0000191900000000 ] - [ 0.0000905000000000, -0.0000770300000000, -0.0001105900000000 ] - [ 0.0000074100000000, -0.0009477300000000, -0.0000837600000000 ] - [ -0.0001284300000000, 0.0003974000000000, 0.0003173000000000 ] - [ -0.0000818600000000, 0.0002020300000000, -0.0000696300000000 ] - [ -0.0005457700000000, 0.0003644200000000, -0.0005374900000000 ] - [ -0.0000328900000000, -0.0009115500000000, 0.0000440100000000 ] - [ 0.0000112800000000, 0.0001002200000000, -0.0000339500000000 ] - [ -0.0000355600000000, 0.0001010300000000, 0.0000794900000000 ] - [ 0.0000273000000000, 0.0000263300000000, -0.0001562700000000 ] - [ 0.0013279400000000, -0.0007255800000000, 0.0014594300000000 ] - [ 0.0000586600000000, 0.0004069600000000, 0.0000530100000000 ] - [ -0.0000003600000000, 0.0000050500000000, 0.0000168200000000 ] - [ 0.0002960700000000, 0.0003237100000000, -0.0002469900000000 ] - [ 0.0002405000000000, -0.0002958800000000, -0.0002359000000000 ] - [ 0.0000717800000000, -0.0000193500000000, -0.0000727900000000 ] - [ 0.0001203400000000, 0.0000289800000000, 0.0003122300000000 ] - [ 0.0001459900000000, 0.0000310700000000, -0.0001743200000000 ] - [ -0.0002332000000000, -0.0006660800000000, -0.0000683400000000 ] - [ -0.0003799800000000, 0.0004963400000000, 0.0005347500000000 ] - [ -0.0000560400000000, 0.0001506900000000, -0.0001097700000000 ] - [ -0.0035112900000000, 0.0027413700000000, -0.0042002900000000 ] - [ -0.0002532500000000, 0.0000756600000000, -0.0002101600000000 ] - [ 0.0001509100000000, 0.0001272200000000, 0.0000553100000000 ] - [ 0.0001344000000000, 0.0001148200000000, 0.0001181100000000 ] - [ -0.0003705700000000, -0.0001712100000000, -0.0006120600000000 ] - [ 0.0019143500000000, -0.0004522200000000, -0.0016289100000000 ] - [ 0.0000328200000000, 0.0001528900000000, 0.0000516500000000 ] - [ -0.0000132100000000, 0.0001908000000000, -0.0002361500000000 ] - [ -0.0001032100000000, 0.0000746100000000, -0.0001271400000000 ] - [ 0.0004685200000000, 0.0000558600000000, 0.0000289900000000 ] - [ 0.0000206000000000, -0.0000102300000000, 0.0002159000000000 ] - [ 0.0005099200000000, -0.0003118800000000, 0.0001992800000000 ] - [ 0.0009288400000000, 0.0008326800000000, 0.0002390100000000 ] - [ 0.0006295000000000, -0.0000408700000000, 0.0005503900000000 ] - [ -0.0000314300000000, -0.0001339000000000, -0.0000196800000000 ] - [ -0.0000583600000000, 0.0001071700000000, 0.0000550600000000 ] - [ -0.0035670900000000, 0.0027973300000000, 0.0047750700000000 ] - [ -0.0001272800000000, 0.0000869800000000, -0.0002910400000000 ] - [ 0.0000719400000000, 0.0000129600000000, -0.0001447900000000 ] - [ 0.0000608500000000, 0.0001802400000000, 0.0000442400000000 ] - [ 0.0000238300000000, -0.0001469200000000, 0.0001473300000000 ] - [ 0.0001766800000000, 0.0000856700000000, -0.0001855300000000 ] - [ 0.0005090500000000, 0.0002786700000000, 0.0004646000000000 ] - [ -0.0001040000000000, -0.0000684400000000, 0.0001591600000000 ] - [ 0.0000866400000000, -0.0001698300000000, -0.0002342000000000 ] - [ -0.0000111400000000, 0.0001190100000000, 0.0002040400000000 ] - [ -0.0000198200000000, -0.0001020200000000, 0.0002229300000000 ] - [ 0.0000233900000000, 0.0000147900000000, -0.0003978000000000 ] - [ -0.0000061000000000, -0.0000181800000000, -0.0001063500000000 ] - [ -0.0000333100000000, -0.0000058900000000, -0.0001166000000000 ] - [ 0.0000368300000000, -0.0001674800000000, 0.0000183000000000 ] - [ 0.0002905100000000, 0.0004325900000000, -0.0004195800000000 ] - [ 0.0001580300000000, -0.0000442400000000, -0.0000444000000000 ] - [ 0.0002314600000000, -0.0003828100000000, 0.0000715400000000 ] - [ -0.0001653600000000, 0.0001922300000000, 0.0000654600000000 ] - [ -0.0003132500000000, 0.0005671500000000, -0.0000908200000000 ] - [ -0.0000376700000000, -0.0000726400000000, -0.0003043800000000 ] - [ -0.0002743800000000, -0.0003512000000000, 0.0005906900000000 ] - [ 0.0000188200000000, 0.0001684400000000, 0.0002562700000000 ] - [ 0.0000200500000000, 0.0003151600000000, -0.0004190800000000 ] - [ -0.0176760800000000, 0.0119679700000000, 0.0000827500000000 ] - [ 0.0002462100000000, -0.0000206600000000, 0.0000944200000000 ] - [ -0.0000917800000000, -0.0001706400000000, -0.0002783500000000 ] - [ -0.0001236700000000, -0.0002841800000000, 0.0002394700000000 ] - [ 0.0011113300000000, 0.0030178700000000, -0.0006845000000000 ] - [ 0.0007319500000000, 0.0003593600000000, 0.0000607300000000 ] - [ -0.0001618300000000, -0.0002502800000000, -0.0001715800000000 ] - [ -0.0001839400000000, -0.0002233900000000, 0.0005975300000000 ] - [ 0.0000490300000000, -0.0000361700000000, 0.0000144700000000 ] - [ 0.0009888100000000, 0.0031109000000000, 0.0009875100000000 ] - [ 0.0000324500000000, -0.0004109400000000, -0.0004029700000000 ] - [ -0.0001272100000000, -0.0000745100000000, -0.0001794300000000 ] - [ -0.0000192700000000, 0.0001732000000000, 0.0000307300000000 ] - [ -0.0000149400000000, 0.0006137300000000, -0.0001786300000000 ] - [ -0.0000060100000000, -0.0002111100000000, -0.0000380400000000 ] - [ 0.0003956500000000, -0.0010571500000000, -0.0000979100000000 ] - [ 0.0011640500000000, 0.0053038600000000, -0.0035536900000000 ] - [ -0.0002053300000000, 0.0005296400000000, 0.0000087300000000 ] - [ -0.0000913900000000, -0.0001568600000000, 0.0000025600000000 ] - [ -0.0000159700000000, -0.0001761800000000, 0.0000747800000000 ] - [ -0.0000980000000000, 0.0001344700000000, 0.0001563000000000 ] - [ -0.0003184100000000, 0.0004609200000000, -0.0000871600000000 ] - [ -0.0000441700000000, -0.0001675800000000, -0.0000805500000000 ] - [ 0.0000682500000000, -0.0003705800000000, -0.0000622600000000 ] - [ 0.0017434200000000, 0.0055075700000000, -0.0044692200000000 ] - [ -0.0000969500000000, -0.0000714800000000, 0.0000462000000000 ] - [ 0.0001516100000000, -0.0004566000000000, -0.0001879100000000 ] - [ 0.0001994500000000, -0.0000889600000000, -0.0000561900000000 ] - [ -0.0000804700000000, 0.0001000400000000, 0.0001885700000000 ] - [ -0.0000845800000000, -0.0000467400000000, -0.0001585600000000 ] - [ 0.0000453600000000, -0.0004906400000000, 0.0001195600000000 ] - [ 0.0010370000000000, -0.0002659700000000, 0.0002289000000000 ] - [ 0.0015249100000000, 0.0103163800000000, 0.0080268500000000 ] - [ -0.0000263500000000, 0.0002364900000000, -0.0000222200000000 ] - [ -0.0002296400000000, -0.0003075400000000, 0.0002042400000000 ] - [ 0.0000070000000000, -0.0002128000000000, -0.0000773500000000 ] - [ -0.0000776300000000, 0.0003837600000000, 0.0000907300000000 ] - [ -0.0000821600000000, 0.0001063700000000, -0.0001678800000000 ] - [ -0.0000025900000000, -0.0002372000000000, 0.0000239900000000 ] - [ -0.0001390500000000, -0.0004130400000000, -0.0000824000000000 ] - [ 0.0009022300000000, -0.0001445400000000, -0.0002688700000000 ] - [ -0.0000682300000000, -0.0002850700000000, 0.0001517900000000 ] - [ -0.0001746700000000, -0.0000773800000000, -0.0000873300000000 ] - [ 0.0000249600000000, 0.0000638500000000, -0.0002160200000000 ] - [ 0.0001078400000000, -0.0000267900000000, 0.0002374800000000 ] - [ 0.0000143700000000, -0.0002285200000000, -0.0002054500000000 ] - [ -0.0001323800000000, -0.0001227900000000, -0.0000011200000000 ] - [ 0.0031931900000000, 0.0075168700000000, 0.0067717800000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000901300000000, 0.0001247100000000, 0.0000395000000000 ] - [ 0.0000795100000000, 0.0000556500000000, -0.0002419500000000 ] - [ 0.0001788000000000, -0.0001669700000000, -0.0000266500000000 ] - [ 0.0001149000000000, -0.0003625200000000, -0.0000000800000000 ] - [ -0.0000275600000000, 0.0009510100000000, -0.0001434800000000 ] - [ 0.0000376400000000, 0.0001323000000000, 0.0000256300000000 ] - [ 0.0000453200000000, -0.0001398100000000, 0.0000163700000000 ] - [ 0.0000556100000000, -0.0002995400000000, 0.0002108600000000 ] - [ 0.0000279900000000, 0.0001084000000000, -0.0000024700000000 ] - [ 0.0008549200000000, -0.0001847700000000, -0.0006397200000000 ] - [ -0.0000905700000000, -0.0002105600000000, 0.0000681500000000 ] - [ -0.0000005100000000, -0.0012698200000000, 0.0000173700000000 ] - [ 0.0005542400000000, -0.0005651700000000, 0.0000657400000000 ] - [ 0.0003069300000000, 0.0005551600000000, -0.0002395400000000 ] - [ 0.0002794700000000, -0.0003195600000000, 0.0002747400000000 ] - [ 0.0001784900000000, -0.0001945300000000, 0.0000259300000000 ] - [ -0.0104763900000000, 0.0511123100000000, 0.0067898200000000 ] - [ -0.0000524800000000, 0.0000756200000000, 0.0001472300000000 ] - [ -0.0000016300000000, -0.0001908500000000, -0.0000007100000000 ] - [ 0.0000211400000000, -0.0000773000000000, -0.0000248800000000 ] - [ 0.0000781100000000, 0.0001652400000000, -0.0000546700000000 ] - [ 0.0001594000000000, 0.0008613200000000, 0.0002544300000000 ] - [ -0.0000401600000000, -0.0003103200000000, -0.0001529400000000 ] - [ -0.0000863400000000, -0.0002907500000000, -0.0000948100000000 ] - [ 0.0006062400000000, -0.0002529300000000, 0.0005939700000000 ] - [ 0.0000892900000000, 0.0007996600000000, -0.0000973600000000 ] - [ -0.0000687200000000, 0.0000134100000000, -0.0000201400000000 ] - [ -0.0000216800000000, -0.0002157300000000, -0.0000253100000000 ] - [ -0.0000739700000000, 0.0003855600000000, 0.0001659400000000 ] - [ -0.0013613800000000, 0.0003265000000000, -0.0014531700000000 ] - [ -0.0000120000000000, 0.0000035500000000, -0.0000626700000000 ] - [ 0.0000471400000000, -0.0004175000000000, -0.0000076800000000 ] - [ -0.0004572500000000, -0.0003427800000000, 0.0004229000000000 ] - [ -0.0004154800000000, 0.0003081800000000, 0.0000560500000000 ] - [ 0.0000853500000000, -0.0000001400000000, -0.0001026700000000 ] - [ 0.0000362100000000, -0.0000096900000000, -0.0001381700000000 ] - [ 0.0001374700000000, 0.0000838600000000, -0.0001574300000000 ] - [ 0.0005165800000000, 0.0005487100000000, 0.0004017100000000 ] - [ 0.0000960800000000, -0.0003859800000000, -0.0002075900000000 ] - [ -0.0002276000000000, -0.0002665100000000, -0.0002217900000000 ] - [ 0.0032189700000000, -0.0028054700000000, 0.0041567600000000 ] - [ -0.0000203100000000, 0.0000130500000000, 0.0002157000000000 ] - [ 0.0001241400000000, -0.0002162400000000, -0.0000507800000000 ] - [ 0.0001405100000000, -0.0000266800000000, -0.0001230500000000 ] - [ 0.0003634500000000, 0.0000835400000000, 0.0002194000000000 ] - [ -0.0019073600000000, 0.0005457200000000, 0.0020159700000000 ] - [ -0.0000190300000000, -0.0002321900000000, 0.0003521900000000 ] - [ 0.0000270600000000, -0.0001131100000000, -0.0001669600000000 ] - [ -0.0000213100000000, -0.0000256500000000, -0.0001870300000000 ] - [ -0.0005929600000000, -0.0001084600000000, 0.0002822800000000 ] - [ 0.0001043500000000, 0.0000589200000000, 0.0000965700000000 ] - [ -0.0003889600000000, 0.0002634000000000, -0.0005138300000000 ] - [ -0.0007839100000000, -0.0009672900000000, -0.0002729000000000 ] - [ -0.0004702300000000, 0.0001568400000000, -0.0005207100000000 ] - [ -0.0001254900000000, 0.0000150000000000, 0.0000490600000000 ] - [ -0.0000991000000000, 0.0000113300000000, -0.0000832800000000 ] - [ 0.0034364500000000, -0.0029893100000000, -0.0043878100000000 ] - [ 0.0000158500000000, 0.0001267500000000, -0.0000538100000000 ] - [ 0.0000400900000000, -0.0002284700000000, -0.0001987900000000 ] - [ 0.0000513800000000, 0.0000341100000000, 0.0002993400000000 ] - [ 0.0001782800000000, 0.0002644800000000, 0.0000785600000000 ] - [ 0.0000250200000000, -0.0002029500000000, -0.0000397200000000 ] - [ -0.0007160600000000, -0.0001639100000000, -0.0006960700000000 ] - [ -0.0000984800000000, -0.0000489600000000, 0.0000657800000000 ] - [ -0.0000247600000000, 0.0000156100000000, -0.0001754800000000 ] - [ 0.0000703300000000, 0.0000384700000000, 0.0002073200000000 ] - [ -0.0000421700000000, -0.0000523000000000, 0.0001859000000000 ] - [ -0.0000850800000000, 0.0001405800000000, -0.0000080000000000 ] - [ -0.0000611500000000, -0.0000187900000000, -0.0001174000000000 ] - [ -0.0000338700000000, 0.0000429400000000, 0.0003407600000000 ] - [ 0.0000315000000000, 0.0001304600000000, 0.0002060500000000 ] - [ -0.0002242100000000, -0.0004007600000000, 0.0001964000000000 ] - [ 0.0001647600000000, 0.0001317200000000, -0.0000089700000000 ] - [ 0.0000896200000000, 0.0002983600000000, -0.0000213400000000 ] - [ -0.0001569700000000, -0.0001060500000000, -0.0000129300000000 ] - [ -0.0000090200000000, -0.0006550900000000, 0.0000382000000000 ] - [ -0.0000171800000000, 0.0002087700000000, -0.0002354200000000 ] - [ 0.0002117900000000, 0.0002078900000000, -0.0000666600000000 ] - [ 0.0000362400000000, -0.0000329400000000, 0.0002825200000000 ] - [ 0.0000345500000000, -0.0004513100000000, -0.0001203800000000 ] - [ 0.0175023700000000, -0.0118488300000000, 0.0003298400000000 ] - [ -0.0001108500000000, -0.0001538200000000, -0.0005222400000000 ] - [ -0.0000485000000000, 0.0003517200000000, -0.0001417900000000 ] - [ -0.0000164100000000, 0.0001043700000000, 0.0001809700000000 ] - [ -0.0007814700000000, -0.0031643400000000, 0.0010141200000000 ] - [ -0.0004046000000000, -0.0001980300000000, -0.0003700800000000 ] - [ -0.0001683600000000, 0.0000940000000000, -0.0001398200000000 ] - [ -0.0001474100000000, 0.0003812400000000, -0.0002857600000000 ] - [ 0.0000079800000000, -0.0002261700000000, -0.0001724800000000 ] - [ -0.0009327400000000, -0.0028379200000000, -0.0008422900000000 ] - [ -0.0000917100000000, 0.0001484400000000, 0.0005628700000000 ] - [ 0.0000710000000000, 0.0003379000000000, 0.0000206800000000 ] - [ 0.0000058800000000, -0.0001432200000000, -0.0000483600000000 ] - [ 0.0000066300000000, -0.0006422700000000, 0.0002092000000000 ] - [ 0.0000196900000000, 0.0002412700000000, 0.0000570100000000 ] - [ -0.0003767300000000, 0.0010282800000000, 0.0000807600000000 ] - [ -0.0011547600000000, -0.0055359000000000, 0.0038731800000000 ] - [ 0.0002193400000000, -0.0004422800000000, -0.0001456800000000 ] - [ 0.0000722600000000, 0.0000693100000000, -0.0001426400000000 ] - [ -0.0000045100000000, 0.0002646800000000, 0.0000651700000000 ] - [ -0.0000226400000000, -0.0002413000000000, -0.0001166800000000 ] - [ 0.0001929400000000, -0.0003595600000000, 0.0000431000000000 ] - [ 0.0001665000000000, 0.0000630500000000, 0.0000416500000000 ] - [ 0.0000528800000000, 0.0004765200000000, 0.0001025000000000 ] - [ -0.0018861100000000, -0.0053193500000000, 0.0044825900000000 ] - [ -0.0001208500000000, -0.0000504100000000, -0.0001900000000000 ] - [ 0.0000658700000000, 0.0005806400000000, 0.0000429700000000 ] - [ 0.0000174800000000, -0.0000323400000000, 0.0002002400000000 ] - [ -0.0000074700000000, -0.0001466100000000, -0.0001840800000000 ] - [ -0.0000055500000000, 0.0000942000000000, 0.0001555100000000 ] - [ 0.0000440200000000, 0.0004460200000000, -0.0001245600000000 ] - [ -0.0009488000000000, 0.0003143200000000, -0.0002225800000000 ] - [ -0.0015848800000000, -0.0105431900000000, -0.0084540100000000 ] - [ -0.0000112900000000, -0.0002567800000000, 0.0001520600000000 ] - [ 0.0002659500000000, 0.0003271600000000, -0.0000739800000000 ] - [ 0.0000296600000000, 0.0001941400000000, -0.0000522300000000 ] - [ -0.0000315200000000, -0.0001405000000000, -0.0000517300000000 ] - [ -0.0000241800000000, -0.0003539700000000, 0.0001315500000000 ] - [ 0.0001108000000000, 0.0004834800000000, -0.0000623600000000 ] - [ 0.0002467500000000, 0.0001684000000000, 0.0001190100000000 ] - [ -0.0009946700000000, 0.0003172300000000, 0.0002094300000000 ] - [ -0.0000225500000000, 0.0001151900000000, -0.0000940800000000 ] - [ 0.0002653400000000, 0.0002454800000000, 0.0001452100000000 ] - [ 0.0000676400000000, -0.0002347900000000, 0.0001588500000000 ] - [ -0.0000667400000000, 0.0000453400000000, -0.0000562100000000 ] - [ 0.0000274200000000, 0.0002127000000000, 0.0000246700000000 ] - [ 0.0000894400000000, 0.0001338400000000, -0.0001810300000000 ] - [ -0.0031322500000000, -0.0074467000000000, -0.0064163000000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000983900000000, 0.0000233800000000, 0.0005143200000000 ] - [ 0.0001793700000000, -0.0000279900000000, -0.0001599200000000 ] - [ 0.0001297000000000, -0.0000103600000000, -0.0000014800000000 ] - [ 0.0001597500000000, -0.0000708800000000, -0.0003250100000000 ] - [ -0.0001873400000000, 0.0000226000000000, 0.0017353200000000 ] - [ 0.0000681500000000, -0.0000458800000000, -0.0001860300000000 ] - [ 0.0000652700000000, -0.0000472500000000, 0.0001532900000000 ] - [ 0.0000236700000000, -0.0002369400000000, 0.0002091200000000 ] - [ 0.0000552400000000, 0.0000135700000000, 0.0002391800000000 ] - [ -0.0006175700000000, 0.0001757200000000, 0.0003983200000000 ] - [ -0.0000854500000000, -0.0000895500000000, 0.0000665000000000 ] - [ -0.0000849000000000, 0.0000055200000000, -0.0006555000000000 ] - [ -0.0001441100000000, -0.0000052000000000, -0.0006209400000000 ] - [ -0.0004009400000000, -0.0001057700000000, 0.0001118700000000 ] - [ 0.0003859800000000, -0.0004985000000000, 0.0003936900000000 ] - [ 0.0001353700000000, -0.0001007100000000, 0.0001805500000000 ] - [ -0.0007599300000000, -0.0067114400000000, -0.0401689500000000 ] - [ -0.0001899100000000, -0.0001175500000000, 0.0000528700000000 ] - [ -0.0000281400000000, -0.0000285400000000, 0.0000247600000000 ] - [ -0.0000201900000000, 0.0000033900000000, 0.0002247600000000 ] - [ 0.0001148500000000, 0.0000571600000000, 0.0001261500000000 ] - [ 0.0000978200000000, 0.0000103200000000, 0.0015701300000000 ] - [ -0.0001243000000000, 0.0002623500000000, 0.0002651000000000 ] - [ -0.0000633500000000, -0.0000578300000000, -0.0001937800000000 ] - [ 0.0005728700000000, -0.0002692300000000, 0.0004911500000000 ] - [ -0.0000467800000000, 0.0000193600000000, -0.0011453400000000 ] - [ -0.0000413300000000, 0.0000589800000000, 0.0002880300000000 ] - [ 0.0000115600000000, -0.0000224300000000, 0.0000302800000000 ] - [ 0.0000064100000000, 0.0002446000000000, 0.0002369100000000 ] - [ 0.0032924100000000, 0.0011327800000000, 0.0019167800000000 ] - [ -0.0000011800000000, 0.0002975000000000, 0.0002873700000000 ] - [ 0.0000441800000000, -0.0002011400000000, -0.0000904700000000 ] - [ -0.0003256100000000, -0.0003473700000000, 0.0002468900000000 ] - [ 0.0000655500000000, -0.0000632300000000, -0.0007991400000000 ] - [ 0.0000859100000000, -0.0000003100000000, 0.0000920200000000 ] - [ 0.0000769100000000, 0.0000456100000000, -0.0000124800000000 ] - [ 0.0000474400000000, 0.0000108600000000, 0.0001127000000000 ] - [ 0.0005770400000000, -0.0001748200000000, 0.0005435300000000 ] - [ -0.0006085400000000, 0.0006792600000000, 0.0006936600000000 ] - [ -0.0001696000000000, -0.0000773000000000, -0.0003502500000000 ] - [ 0.0023461600000000, -0.0035104000000000, 0.0021510400000000 ] - [ -0.0000549500000000, -0.0000687600000000, 0.0002426100000000 ] - [ 0.0001736000000000, -0.0000446700000000, -0.0000870100000000 ] - [ 0.0001264100000000, 0.0001901900000000, 0.0002919300000000 ] - [ 0.0002974400000000, -0.0001980900000000, -0.0004326800000000 ] - [ -0.0035741700000000, -0.0011914700000000, 0.0012886500000000 ] - [ 0.0000165300000000, -0.0001943100000000, 0.0004974000000000 ] - [ 0.0000298200000000, -0.0000021100000000, -0.0000862900000000 ] - [ 0.0000223900000000, -0.0001403500000000, -0.0000599600000000 ] - [ -0.0003870500000000, -0.0000344000000000, 0.0003984800000000 ] - [ -0.0000243200000000, -0.0000314500000000, 0.0002047100000000 ] - [ 0.0002444600000000, -0.0001636200000000, -0.0001962600000000 ] - [ -0.0000372300000000, 0.0003594500000000, -0.0004479000000000 ] - [ 0.0004996300000000, 0.0000051000000000, 0.0004268000000000 ] - [ -0.0001173600000000, 0.0000019800000000, 0.0000422000000000 ] - [ -0.0001323500000000, 0.0001356700000000, 0.0001648900000000 ] - [ -0.0027765600000000, 0.0033028800000000, 0.0018271900000000 ] - [ -0.0000249500000000, 0.0000098000000000, -0.0003560200000000 ] - [ 0.0000688300000000, -0.0000891700000000, -0.0000921700000000 ] - [ 0.0000382500000000, -0.0000334300000000, 0.0004917100000000 ] - [ 0.0002203900000000, 0.0000362600000000, -0.0001574300000000 ] - [ -0.0000122500000000, -0.0001642800000000, -0.0001258800000000 ] - [ 0.0003851800000000, 0.0001562400000000, 0.0001754200000000 ] - [ -0.0000914100000000, -0.0000872500000000, 0.0002666600000000 ] - [ -0.0000064100000000, -0.0001904200000000, 0.0001208700000000 ] - [ 0.0001237600000000, 0.0002390200000000, 0.0001076400000000 ] - [ -0.0000191900000000, -0.0000250200000000, 0.0001368700000000 ] - [ 0.0000542500000000, -0.0000121500000000, -0.0002461900000000 ] - [ -0.0000770800000000, 0.0000484500000000, -0.0000646800000000 ] - [ -0.0001848500000000, -0.0002023300000000, 0.0003474200000000 ] - [ 0.0000346400000000, -0.0000726100000000, 0.0000230200000000 ] - [ 0.0000610800000000, 0.0001233700000000, -0.0005199800000000 ] - [ 0.0001256900000000, 0.0001085700000000, 0.0002457400000000 ] - [ 0.0000510800000000, -0.0000479000000000, 0.0000285300000000 ] - [ -0.0001588200000000, 0.0001459700000000, 0.0000044700000000 ] - [ -0.0002453800000000, 0.0000073100000000, -0.0001878700000000 ] - [ -0.0001257700000000, 0.0000609500000000, 0.0001106000000000 ] - [ -0.0008595800000000, -0.0000361500000000, -0.0007697900000000 ] - [ 0.0000174200000000, 0.0000473700000000, 0.0004153500000000 ] - [ 0.0000085200000000, -0.0000750500000000, -0.0004530000000000 ] - [ -0.0002413700000000, 0.0000667500000000, 0.0054219300000000 ] - [ -0.0000514400000000, -0.0000402400000000, -0.0002524700000000 ] - [ -0.0000691800000000, 0.0000886600000000, -0.0001830400000000 ] - [ -0.0000425900000000, -0.0000755600000000, -0.0004970800000000 ] - [ 0.0016383800000000, -0.0000505500000000, -0.0013781300000000 ] - [ 0.0001462800000000, 0.0002302800000000, 0.0002082400000000 ] - [ -0.0001848700000000, -0.0000861600000000, -0.0003900400000000 ] - [ -0.0002511500000000, 0.0004078400000000, -0.0002588200000000 ] - [ 0.0000432100000000, -0.0000548600000000, -0.0004201700000000 ] - [ -0.0012450500000000, 0.0003851800000000, -0.0017941800000000 ] - [ 0.0002264100000000, -0.0003568700000000, -0.0003097900000000 ] - [ -0.0000216900000000, 0.0001315100000000, 0.0000860300000000 ] - [ -0.0000218200000000, -0.0000462400000000, -0.0004714500000000 ] - [ 0.0002782000000000, 0.0005947500000000, 0.0008927400000000 ] - [ 0.0000053700000000, 0.0000559900000000, -0.0001200800000000 ] - [ 0.0000602300000000, 0.0000562200000000, 0.0002241500000000 ] - [ -0.0013494800000000, -0.0040898200000000, 0.0057591100000000 ] - [ 0.0003736300000000, -0.0002369700000000, 0.0003444200000000 ] - [ 0.0000410800000000, 0.0000044500000000, -0.0002734500000000 ] - [ -0.0000386800000000, 0.0000629400000000, -0.0000994500000000 ] - [ -0.0000052000000000, 0.0002840500000000, -0.0005570100000000 ] - [ -0.0007767700000000, 0.0001111000000000, 0.0004051000000000 ] - [ -0.0000299300000000, -0.0001358800000000, -0.0002210100000000 ] - [ 0.0000724200000000, 0.0001303000000000, 0.0001475900000000 ] - [ -0.0018440100000000, -0.0040954400000000, 0.0063573700000000 ] - [ -0.0001532200000000, 0.0000207700000000, -0.0002708500000000 ] - [ 0.0001184100000000, -0.0000273800000000, 0.0001209700000000 ] - [ 0.0001291400000000, -0.0001965900000000, -0.0002109600000000 ] - [ 0.0001922500000000, 0.0002123700000000, -0.0006280000000000 ] - [ -0.0001061000000000, 0.0000291000000000, -0.0002020800000000 ] - [ 0.0000075000000000, 0.0002025900000000, 0.0001862400000000 ] - [ 0.0007004500000000, -0.0002741400000000, 0.0004327900000000 ] - [ 0.0017645500000000, 0.0084085400000000, 0.0090469900000000 ] - [ 0.0000068300000000, 0.0000312100000000, -0.0002435200000000 ] - [ 0.0000689600000000, 0.0001916900000000, 0.0002572500000000 ] - [ 0.0000569000000000, -0.0000715400000000, -0.0002411800000000 ] - [ -0.0000623900000000, -0.0000231000000000, -0.0003983700000000 ] - [ -0.0000923700000000, -0.0004757500000000, -0.0006956200000000 ] - [ 0.0000333500000000, 0.0001423000000000, 0.0002177200000000 ] - [ 0.0000794900000000, -0.0002609900000000, 0.0002124500000000 ] - [ -0.0008589900000000, 0.0004963100000000, 0.0003929700000000 ] - [ -0.0000117700000000, 0.0000125000000000, -0.0001709000000000 ] - [ -0.0001693500000000, -0.0004265800000000, 0.0003226100000000 ] - [ -0.0002035700000000, -0.0003009200000000, -0.0006625900000000 ] - [ -0.0000233900000000, 0.0001388000000000, -0.0002908600000000 ] - [ 0.0000322100000000, -0.0000793200000000, -0.0002692900000000 ] - [ 0.0001133500000000, 0.0005328300000000, 0.0000744900000000 ] - [ 0.0034320000000000, 0.0062599000000000, 0.0081761900000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0001461000000000, -0.0000181400000000, -0.0004609500000000 ] - [ -0.0004266600000000, 0.0000238600000000, 0.0001125500000000 ] - [ 0.0001140500000000, 0.0000159900000000, -0.0000515100000000 ] - [ 0.0000842800000000, 0.0000639500000000, 0.0003782000000000 ] - [ 0.0001308400000000, -0.0000878500000000, -0.0017436900000000 ] - [ -0.0001245600000000, 0.0001142300000000, 0.0002121700000000 ] - [ -0.0000106400000000, -0.0000190700000000, -0.0001243300000000 ] - [ 0.0000310000000000, 0.0003028600000000, -0.0002375500000000 ] - [ 0.0000595900000000, -0.0000385600000000, -0.0002741900000000 ] - [ 0.0007362000000000, -0.0001505200000000, -0.0003641200000000 ] - [ -0.0000295900000000, 0.0000656400000000, -0.0000310600000000 ] - [ -0.0000327000000000, 0.0000160900000000, 0.0006209000000000 ] - [ -0.0001429400000000, 0.0001464700000000, 0.0006861100000000 ] - [ 0.0001112000000000, -0.0000436300000000, -0.0001813400000000 ] - [ -0.0000946300000000, 0.0006456400000000, -0.0004579800000000 ] - [ 0.0001581600000000, -0.0000471300000000, -0.0001140900000000 ] - [ 0.0004713200000000, 0.0068185800000000, 0.0401390700000000 ] - [ 0.0001940100000000, 0.0001317600000000, -0.0000117700000000 ] - [ 0.0000230900000000, 0.0000164700000000, 0.0000189400000000 ] - [ 0.0000149400000000, 0.0000089600000000, -0.0002685000000000 ] - [ 0.0000539100000000, 0.0000310000000000, -0.0002906400000000 ] - [ 0.0000706700000000, -0.0000981400000000, -0.0014222800000000 ] - [ -0.0000440500000000, -0.0001749500000000, -0.0001009000000000 ] - [ -0.0001050400000000, -0.0000300500000000, 0.0000294200000000 ] - [ -0.0005126500000000, 0.0003829200000000, -0.0004361400000000 ] - [ 0.0000991100000000, -0.0001309400000000, 0.0010902000000000 ] - [ -0.0000158600000000, 0.0000551500000000, -0.0003418700000000 ] - [ -0.0000688600000000, -0.0000907900000000, 0.0000237000000000 ] - [ -0.0000521900000000, 0.0001665100000000, -0.0002289400000000 ] - [ -0.0033495800000000, -0.0015564600000000, -0.0019229300000000 ] - [ 0.0000476200000000, 0.0001137600000000, -0.0002956900000000 ] - [ 0.0000020600000000, -0.0002089500000000, 0.0000988500000000 ] - [ 0.0001670800000000, 0.0003289300000000, -0.0000735400000000 ] - [ -0.0002150600000000, 0.0000946300000000, 0.0006334100000000 ] - [ 0.0000713100000000, -0.0000195800000000, -0.0002672700000000 ] - [ 0.0000795400000000, -0.0000264100000000, 0.0001872300000000 ] - [ 0.0002366300000000, 0.0001040800000000, -0.0004443400000000 ] - [ -0.0002902400000000, 0.0000574600000000, -0.0002077900000000 ] - [ 0.0003214400000000, -0.0005658200000000, -0.0003647100000000 ] - [ -0.0001139800000000, -0.0000376100000000, 0.0000188100000000 ] - [ -0.0026187600000000, 0.0034404600000000, -0.0021516800000000 ] - [ -0.0002190700000000, 0.0001577200000000, -0.0002385200000000 ] - [ 0.0001012300000000, -0.0000436800000000, 0.0000912200000000 ] - [ 0.0001482100000000, -0.0001013900000000, -0.0002963500000000 ] - [ -0.0003202500000000, 0.0001315100000000, 0.0000219100000000 ] - [ 0.0035541000000000, 0.0012596800000000, -0.0008949400000000 ] - [ -0.0000031500000000, 0.0001160200000000, -0.0000945300000000 ] - [ -0.0000163700000000, 0.0000810500000000, -0.0003174200000000 ] - [ -0.0001476000000000, 0.0001892000000000, -0.0002538200000000 ] - [ 0.0002636000000000, -0.0000140700000000, -0.0000836100000000 ] - [ 0.0001492900000000, 0.0000808000000000, 0.0001097700000000 ] - [ -0.0001212200000000, 0.0001146400000000, -0.0001163900000000 ] - [ 0.0001935600000000, -0.0004726600000000, 0.0004186800000000 ] - [ -0.0003420100000000, 0.0001127700000000, -0.0003946500000000 ] - [ -0.0000381200000000, -0.0001207900000000, -0.0000137400000000 ] - [ -0.0000252000000000, -0.0000172900000000, -0.0001931500000000 ] - [ 0.0026618700000000, -0.0034974300000000, -0.0014908200000000 ] - [ -0.0000863100000000, 0.0002071400000000, 0.0000129400000000 ] - [ 0.0000431800000000, -0.0001252800000000, -0.0002509800000000 ] - [ 0.0000738000000000, 0.0002482800000000, -0.0001480300000000 ] - [ -0.0000143900000000, 0.0000835600000000, 0.0003834400000000 ] - [ 0.0002124800000000, 0.0000460500000000, -0.0000997100000000 ] - [ -0.0005896700000000, -0.0000386100000000, -0.0004020700000000 ] - [ -0.0001101900000000, -0.0000304000000000, -0.0000402400000000 ] - [ 0.0000694900000000, 0.0000341400000000, -0.0005287100000000 ] - [ -0.0000569400000000, -0.0000867100000000, 0.0002957600000000 ] - [ -0.0000424500000000, -0.0001288900000000, 0.0002715200000000 ] - [ -0.0001160200000000, 0.0001664000000000, -0.0001612000000000 ] - [ 0.0000098000000000, -0.0000849900000000, -0.0001588800000000 ] - [ 0.0001189000000000, 0.0002391800000000, -0.0001232000000000 ] - [ 0.0000332200000000, 0.0000352900000000, 0.0001994500000000 ] - [ 0.0000069800000000, -0.0000880900000000, 0.0002959100000000 ] - [ 0.0001961900000000, -0.0000218600000000, -0.0002983800000000 ] - [ 0.0002719000000000, -0.0000402200000000, 0.0000229100000000 ] - [ -0.0001640700000000, -0.0000589200000000, 0.0000486600000000 ] - [ -0.0000769900000000, -0.0000942600000000, 0.0001346600000000 ] - [ 0.0000697600000000, 0.0000740900000000, -0.0006510100000000 ] - [ 0.0007844800000000, -0.0000911300000000, 0.0013390100000000 ] - [ 0.0000378000000000, 0.0000887800000000, 0.0001240900000000 ] - [ 0.0000461500000000, -0.0000608400000000, -0.0000859200000000 ] - [ 0.0005019200000000, 0.0000605500000000, -0.0050058900000000 ] - [ 0.0001881200000000, -0.0001479400000000, -0.0001605600000000 ] - [ -0.0000703200000000, 0.0000900300000000, -0.0002365700000000 ] - [ -0.0000973600000000, -0.0001042900000000, 0.0009172500000000 ] - [ -0.0013007000000000, -0.0001086700000000, 0.0017025400000000 ] - [ 0.0001762300000000, -0.0000798200000000, -0.0005216800000000 ] - [ -0.0001451600000000, -0.0000714800000000, 0.0000786700000000 ] - [ -0.0000778000000000, -0.0002503700000000, 0.0005698700000000 ] - [ 0.0000131000000000, -0.0002083000000000, 0.0002607900000000 ] - [ 0.0013083200000000, -0.0001248000000000, 0.0019445000000000 ] - [ -0.0002832700000000, 0.0000941600000000, 0.0004705500000000 ] - [ -0.0000349200000000, 0.0001305900000000, -0.0002462200000000 ] - [ 0.0000100200000000, 0.0000771700000000, 0.0004549200000000 ] - [ -0.0003032700000000, -0.0006297100000000, -0.0008976300000000 ] - [ 0.0000083400000000, -0.0000269300000000, 0.0001370700000000 ] - [ -0.0000469900000000, -0.0000850200000000, -0.0002413300000000 ] - [ 0.0013507700000000, 0.0038202600000000, -0.0054853700000000 ] - [ -0.0003568900000000, 0.0003311300000000, -0.0004874300000000 ] - [ -0.0000606600000000, -0.0000923800000000, 0.0001340100000000 ] - [ 0.0000186800000000, 0.0000251300000000, 0.0002391900000000 ] - [ -0.0001161800000000, -0.0003863300000000, 0.0005949800000000 ] - [ 0.0006585800000000, 0.0000022900000000, -0.0004419100000000 ] - [ 0.0001516900000000, 0.0000311500000000, 0.0001814900000000 ] - [ 0.0000487000000000, -0.0000256400000000, -0.0001073900000000 ] - [ 0.0017428800000000, 0.0043769900000000, -0.0063562400000000 ] - [ -0.0000639400000000, -0.0001433400000000, 0.0001278100000000 ] - [ 0.0000993000000000, 0.0001505800000000, -0.0002636600000000 ] - [ 0.0000880600000000, 0.0000755400000000, 0.0003547500000000 ] - [ -0.0002833700000000, -0.0002599200000000, 0.0006344100000000 ] - [ 0.0000170600000000, 0.0000155100000000, 0.0001957400000000 ] - [ 0.0000816700000000, -0.0002473600000000, -0.0001929300000000 ] - [ -0.0006163700000000, 0.0003209800000000, -0.0004298000000000 ] - [ -0.0018230400000000, -0.0086597700000000, -0.0093356700000000 ] - [ -0.0000445600000000, -0.0000498300000000, 0.0003741600000000 ] - [ -0.0000310800000000, -0.0001735200000000, -0.0001277500000000 ] - [ -0.0000198000000000, 0.0000522600000000, 0.0001116200000000 ] - [ -0.0000468100000000, 0.0002692800000000, 0.0004352600000000 ] - [ -0.0000151400000000, 0.0002331300000000, 0.0006598800000000 ] - [ 0.0000747000000000, 0.0001032700000000, -0.0002553700000000 ] - [ 0.0000298300000000, 0.0000140800000000, -0.0001748100000000 ] - [ 0.0007645500000000, -0.0003243100000000, -0.0004492300000000 ] - [ -0.0000789400000000, -0.0001832900000000, 0.0002291800000000 ] - [ 0.0002614200000000, 0.0005951200000000, -0.0002645300000000 ] - [ 0.0002925600000000, 0.0001281500000000, 0.0006020800000000 ] - [ 0.0000646800000000, -0.0001198900000000, 0.0004722300000000 ] - [ 0.0000096800000000, 0.0000619600000000, 0.0000876400000000 ] - [ -0.0001548100000000, -0.0005178900000000, -0.0002556400000000 ] - [ -0.0033293600000000, -0.0060881300000000, -0.0078463500000000 ]- atom: 21 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001761000000000, -0.0000408700000000, 0.0000763400000000 ] - [ -0.0005239600000000, 0.0000805300000000, 0.0004125900000000 ] - [ 0.0000452500000000, 0.0002161600000000, 0.0000834600000000 ] - [ 0.0001245700000000, -0.0000387800000000, 0.0000484800000000 ] - [ 0.0004664100000000, 0.0000243400000000, -0.0001066700000000 ] - [ -0.0001308700000000, 0.0000497000000000, 0.0001067000000000 ] - [ -0.0000935800000000, 0.0000234200000000, -0.0000590600000000 ] - [ 0.0000480800000000, 0.0000070400000000, 0.0000030900000000 ] - [ 0.0003491500000000, 0.0004864700000000, -0.0000503700000000 ] - [ 0.0000400400000000, 0.0000520100000000, -0.0001037100000000 ] - [ -0.0004638800000000, -0.0006029200000000, -0.0002225400000000 ] - [ -0.0000409200000000, -0.0000137700000000, 0.0000129400000000 ] - [ -0.0001176000000000, 0.0001206000000000, 0.0000997000000000 ] - [ -0.0001841300000000, -0.0000280900000000, -0.0000723500000000 ] - [ 0.0001708700000000, 0.0000681800000000, -0.0000384900000000 ] - [ 0.0000665700000000, -0.0007986500000000, 0.0001042500000000 ] - [ 0.0000102100000000, -0.0000039900000000, 0.0000082600000000 ] - [ -0.0005153400000000, 0.0000883600000000, 0.0000109200000000 ] - [ -0.0000270400000000, 0.0000331300000000, -0.0000182900000000 ] - [ 0.0000412900000000, 0.0000121700000000, -0.0000421000000000 ] - [ -0.0724899600000000, -0.0107155000000000, -0.0252745800000000 ] - [ 0.0000854300000000, -0.0000553100000000, 0.0000760500000000 ] - [ -0.0000738800000000, 0.0000393700000000, 0.0000696600000000 ] - [ -0.0001132100000000, -0.0000556700000000, -0.0000424200000000 ] - [ 0.0001814500000000, 0.0003091100000000, 0.0002293000000000 ] - [ 0.0000304400000000, -0.0000413600000000, 0.0000077900000000 ] - [ 0.0000323700000000, 0.0000024200000000, -0.0000719200000000 ] - [ -0.0001760100000000, -0.0007144700000000, 0.0005408900000000 ] - [ 0.0027738400000000, 0.0001893500000000, 0.0030649400000000 ] - [ 0.0000232100000000, -0.0001655500000000, 0.0000155700000000 ] - [ 0.0000652000000000, 0.0002241100000000, 0.0000003000000000 ] - [ -0.0000271100000000, -0.0003229100000000, 0.0001191000000000 ] - [ 0.0003312900000000, 0.0002791300000000, -0.0000735300000000 ] - [ -0.0000808300000000, -0.0000026200000000, -0.0000532400000000 ] - [ 0.0000178600000000, -0.0000809400000000, -0.0000935900000000 ] - [ 0.0002250800000000, 0.0000086800000000, 0.0001233900000000 ] - [ 0.0008579600000000, 0.0004532900000000, 0.0003741500000000 ] - [ 0.0002788100000000, -0.0000742900000000, 0.0002308700000000 ] - [ -0.0001085500000000, 0.0000326300000000, 0.0001674700000000 ] - [ -0.0001559900000000, -0.0000650900000000, -0.0001323200000000 ] - [ -0.0001175800000000, -0.0000585800000000, -0.0000023400000000 ] - [ 0.0000579100000000, 0.0006966200000000, 0.0011087500000000 ] - [ 0.0000994200000000, -0.0000477000000000, 0.0000528400000000 ] - [ 0.0001802000000000, 0.0000464400000000, -0.0000308300000000 ] - [ -0.0001291000000000, 0.0001220000000000, 0.0000201400000000 ] - [ 0.0000295600000000, 0.0000670800000000, 0.0002230200000000 ] - [ 0.0000419300000000, -0.0000550500000000, 0.0001900800000000 ] - [ -0.0000772400000000, -0.0000562300000000, -0.0001582000000000 ] - [ 0.0011188700000000, -0.0000491000000000, -0.0003653100000000 ] - [ -0.0001875500000000, 0.0004392000000000, 0.0005400800000000 ] - [ 0.0000388200000000, 0.0000472500000000, 0.0000167800000000 ] - [ 0.0000942300000000, 0.0000015700000000, -0.0001873900000000 ] - [ 0.0000977800000000, -0.0000439600000000, 0.0000135100000000 ] - [ -0.0002183900000000, -0.0001120900000000, -0.0000278400000000 ] - [ -0.0001012100000000, -0.0000300800000000, -0.0000531500000000 ] - [ 0.0003281100000000, -0.0000173900000000, 0.0000679600000000 ] - [ -0.0000001800000000, -0.0001363200000000, 0.0002413200000000 ] - [ -0.0000871800000000, 0.0000345400000000, -0.0000387800000000 ] - [ -0.0003477800000000, -0.0001006600000000, -0.0003675800000000 ] - [ 0.0000822400000000, 0.0001170000000000, 0.0001674000000000 ] - [ 0.0001002300000000, 0.0000718500000000, 0.0000727300000000 ] - [ 0.0002064800000000, -0.0000790100000000, -0.0000647900000000 ] - [ 0.0002493800000000, 0.0001628900000000, -0.0000009600000000 ] - [ -0.0002663800000000, -0.0001927900000000, 0.0000201200000000 ] - [ 0.0001026400000000, 0.0000196200000000, -0.0002622400000000 ] - [ 0.0000252100000000, 0.0000528800000000, 0.0001745200000000 ] - [ 0.0000156300000000, -0.0001548300000000, 0.0001168200000000 ] - [ 0.0000020200000000, 0.0001278000000000, -0.0002191000000000 ] - [ 0.0005493500000000, 0.0003594100000000, 0.0000315000000000 ] - [ -0.0001961700000000, -0.0002237700000000, 0.0000200300000000 ] - [ -0.0000337900000000, -0.0000082900000000, 0.0002254400000000 ] - [ 0.0000639400000000, 0.0000121900000000, -0.0001028800000000 ] - [ 0.0018673400000000, 0.0003259100000000, 0.0003827200000000 ] - [ 0.0001243100000000, -0.0005392200000000, -0.0007858600000000 ] - [ -0.0002762100000000, -0.0001681300000000, 0.0000372300000000 ] - [ -0.0001354900000000, -0.0000565900000000, 0.0000080500000000 ] - [ 0.0013821000000000, 0.0005369900000000, -0.0012414200000000 ] - [ -0.0001108300000000, -0.0000445300000000, 0.0002464700000000 ] - [ -0.0000392700000000, 0.0000141800000000, 0.0002075900000000 ] - [ 0.0000467100000000, -0.0000963100000000, -0.0002284900000000 ] - [ 0.0000391200000000, 0.0000375800000000, 0.0001419500000000 ] - [ 0.0007529600000000, -0.0007154400000000, -0.0018045000000000 ] - [ 0.0002399500000000, 0.0001352900000000, -0.0001371700000000 ] - [ -0.0001686000000000, -0.0000931600000000, 0.0002322300000000 ] - [ -0.0001163600000000, -0.0003223400000000, 0.0005095400000000 ] - [ 0.0002244500000000, -0.0000414600000000, -0.0003121900000000 ] - [ 0.0003862800000000, 0.0001519600000000, -0.0002258800000000 ] - [ -0.0001931900000000, 0.0000797900000000, 0.0001616500000000 ] - [ 0.0573673700000000, 0.0177286200000000, 0.0222115500000000 ] - [ -0.0001011900000000, 0.0001711800000000, 0.0000798000000000 ] - [ -0.0000654400000000, -0.0001379400000000, 0.0001010200000000 ] - [ 0.0000033600000000, 0.0001425400000000, -0.0001566600000000 ] - [ -0.0008858000000000, -0.0001563100000000, -0.0006258500000000 ] - [ 0.0005408700000000, -0.0002294300000000, 0.0002775900000000 ] - [ 0.0004324300000000, 0.0001037700000000, -0.0000726700000000 ] - [ 0.0000208500000000, 0.0000128100000000, -0.0000535700000000 ] - [ -0.0001541500000000, -0.0000534500000000, 0.0000185300000000 ] - [ 0.0000910500000000, 0.0000562500000000, -0.0000893000000000 ] - [ -0.0000341400000000, 0.0000082400000000, -0.0000399000000000 ] - [ -0.0001741000000000, 0.0001998300000000, 0.0000480200000000 ] - [ -0.0013543000000000, 0.0001362700000000, -0.0001779400000000 ] - [ -0.0000579100000000, -0.0000195600000000, -0.0001526900000000 ] - [ 0.0000404500000000, -0.0000484800000000, 0.0000232700000000 ] - [ 0.0000240600000000, 0.0000922900000000, -0.0000773000000000 ] - [ -0.0001025700000000, 0.0000746800000000, 0.0000624600000000 ] - [ 0.0032848300000000, -0.0027867100000000, -0.0030815700000000 ] - [ 0.0000868700000000, 0.0000115500000000, -0.0001007900000000 ] - [ 0.0001845700000000, -0.0001682100000000, 0.0001844200000000 ] - [ -0.0000906200000000, 0.0000231000000000, 0.0000294600000000 ] - [ 0.0023590800000000, -0.0020531900000000, 0.0025715100000000 ] - [ -0.0000436900000000, -0.0001360000000000, -0.0001165000000000 ] - [ 0.0000351000000000, 0.0000386200000000, 0.0000087700000000 ] - [ -0.0000836800000000, -0.0000130600000000, -0.0001116400000000 ] - [ 0.0016318700000000, -0.0008056700000000, 0.0012520800000000 ] - [ -0.0000057500000000, 0.0000208600000000, 0.0000663200000000 ] - [ -0.0001271500000000, 0.0000780600000000, -0.0000052400000000 ] - [ 0.0010935300000000, -0.0008638000000000, -0.0005995700000000 ] - [ -0.0004893400000000, 0.0000595700000000, 0.0003654800000000 ] - [ 0.0000236600000000, 0.0001565200000000, 0.0000053300000000 ] - [ 0.0000321200000000, -0.0001379600000000, -0.0000479200000000 ] - [ -0.0000118800000000, 0.0001076400000000, -0.0000441900000000 ] - [ -0.0002401400000000, -0.0006871200000000, -0.0002049000000000 ] - [ 0.0000095400000000, 0.0000446600000000, -0.0001803800000000 ] - [ -0.0001895000000000, 0.0003956300000000, 0.0000726000000000 ] - [ 0.0001029700000000, -0.0000726800000000, 0.0000126700000000 ] - [ -0.0000186600000000, -0.0004710800000000, 0.0003748200000000 ] - [ 0.0000660100000000, -0.0000538400000000, -0.0000180400000000 ] - [ -0.0000639400000000, 0.0000353200000000, 0.0000463200000000 ]- atom: 21 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0004263300000000, 0.0000435000000000, -0.0000195500000000 ] - [ 0.0002860100000000, -0.0000827600000000, -0.0004774900000000 ] - [ 0.0001969600000000, -0.0002175700000000, -0.0001370800000000 ] - [ 0.0001166300000000, 0.0000340400000000, 0.0000031200000000 ] - [ -0.0005204900000000, -0.0000927200000000, 0.0000788700000000 ] - [ 0.0000805700000000, 0.0000200800000000, -0.0000816200000000 ] - [ 0.0001480800000000, -0.0000951300000000, 0.0000891700000000 ] - [ 0.0000044600000000, 0.0000611000000000, -0.0000313100000000 ] - [ -0.0002392500000000, -0.0005177400000000, 0.0000184600000000 ] - [ 0.0000738100000000, -0.0000247800000000, 0.0001411200000000 ] - [ 0.0003520700000000, 0.0005721600000000, 0.0002577800000000 ] - [ -0.0000722900000000, 0.0000389300000000, -0.0000501200000000 ] - [ -0.0001800600000000, 0.0000277100000000, -0.0000367200000000 ] - [ -0.0001166000000000, -0.0001223400000000, 0.0000101800000000 ] - [ 0.0001250600000000, 0.0000794400000000, -0.0000270400000000 ] - [ 0.0002287300000000, 0.0006551300000000, -0.0000380800000000 ] - [ 0.0000015000000000, -0.0000120100000000, -0.0000531000000000 ] - [ 0.0005342900000000, -0.0000679500000000, 0.0000383700000000 ] - [ 0.0000158200000000, -0.0000507600000000, 0.0000623400000000 ] - [ -0.0000537400000000, 0.0000033300000000, -0.0000008500000000 ] - [ 0.0747739700000000, 0.0119533900000000, 0.0263653400000000 ] - [ 0.0000850400000000, -0.0000354200000000, 0.0000864400000000 ] - [ -0.0000982000000000, 0.0000504000000000, 0.0000958700000000 ] - [ -0.0000584200000000, -0.0000351600000000, -0.0001234600000000 ] - [ -0.0001351800000000, -0.0001990900000000, -0.0001800300000000 ] - [ 0.0000193900000000, -0.0000705800000000, -0.0000635500000000 ] - [ -0.0000818700000000, 0.0001088800000000, 0.0000190900000000 ] - [ 0.0001265600000000, 0.0005997200000000, -0.0004842800000000 ] - [ -0.0028885900000000, 0.0002605200000000, -0.0031483900000000 ] - [ -0.0000696100000000, -0.0002457200000000, -0.0000235400000000 ] - [ -0.0000199300000000, 0.0001857300000000, -0.0000054500000000 ] - [ 0.0000730500000000, -0.0000891500000000, -0.0001127500000000 ] - [ -0.0004918100000000, -0.0002986300000000, 0.0002501200000000 ] - [ -0.0000774200000000, 0.0000197000000000, -0.0001232600000000 ] - [ 0.0001421400000000, 0.0000632500000000, -0.0000823900000000 ] - [ -0.0000684200000000, 0.0000090100000000, 0.0000532700000000 ] - [ -0.0006368900000000, -0.0003646900000000, -0.0007181500000000 ] - [ -0.0000077000000000, -0.0000438300000000, 0.0000927700000000 ] - [ -0.0001723100000000, 0.0000818900000000, 0.0001648900000000 ] - [ -0.0001243900000000, -0.0000501100000000, -0.0002008200000000 ] - [ -0.0001596500000000, -0.0000334100000000, -0.0000010900000000 ] - [ -0.0003447100000000, -0.0006459700000000, -0.0011674500000000 ] - [ 0.0001759800000000, -0.0000437000000000, -0.0000528200000000 ] - [ 0.0000948800000000, 0.0000448600000000, 0.0000313600000000 ] - [ 0.0001172300000000, -0.0002016200000000, -0.0004253100000000 ] - [ -0.0000436000000000, 0.0000114900000000, 0.0001757800000000 ] - [ -0.0000290900000000, -0.0000243800000000, 0.0002110400000000 ] - [ 0.0000910200000000, 0.0001339500000000, -0.0002421900000000 ] - [ -0.0012253600000000, 0.0000661700000000, 0.0000293900000000 ] - [ 0.0000611500000000, -0.0004952500000000, -0.0002298300000000 ] - [ 0.0000908000000000, 0.0000070600000000, 0.0002942400000000 ] - [ 0.0000329300000000, -0.0000551100000000, -0.0001238500000000 ] - [ 0.0000578400000000, -0.0000718600000000, -0.0000427800000000 ] - [ 0.0003777700000000, 0.0002301900000000, 0.0000558600000000 ] - [ -0.0000549400000000, -0.0000860700000000, 0.0000804800000000 ] - [ -0.0004909600000000, 0.0001322200000000, -0.0000968100000000 ] - [ -0.0001138100000000, -0.0000794700000000, 0.0000978300000000 ] - [ -0.0000255100000000, 0.0001848200000000, -0.0003058600000000 ] - [ 0.0004617700000000, -0.0001168200000000, 0.0000294500000000 ] - [ 0.0000307900000000, 0.0000982900000000, 0.0001735200000000 ] - [ 0.0001031400000000, 0.0000482300000000, 0.0001492600000000 ] - [ -0.0000053200000000, -0.0000400400000000, -0.0001578500000000 ] - [ -0.0004549800000000, -0.0000413600000000, -0.0002233100000000 ] - [ 0.0000684500000000, 0.0000677500000000, 0.0002004700000000 ] - [ -0.0000432600000000, -0.0001726600000000, -0.0001421300000000 ] - [ 0.0000358200000000, 0.0000992700000000, 0.0002323100000000 ] - [ -0.0000746200000000, 0.0000037200000000, 0.0002916900000000 ] - [ -0.0000637000000000, 0.0000234000000000, -0.0001879100000000 ] - [ -0.0006228700000000, -0.0003886800000000, -0.0002439700000000 ] - [ 0.0001309900000000, 0.0002629900000000, 0.0002068300000000 ] - [ 0.0001016600000000, -0.0000321200000000, -0.0000005600000000 ] - [ 0.0000025400000000, 0.0000260200000000, -0.0001233300000000 ] - [ -0.0015396700000000, -0.0002319100000000, -0.0004124100000000 ] - [ 0.0001985600000000, 0.0004609200000000, 0.0008452400000000 ] - [ -0.0000466400000000, 0.0002495400000000, 0.0000120600000000 ] - [ -0.0001877000000000, -0.0000269800000000, -0.0000584300000000 ] - [ -0.0014309000000000, -0.0003975700000000, 0.0006966300000000 ] - [ 0.0000567200000000, -0.0000902600000000, 0.0002922300000000 ] - [ 0.0000953000000000, 0.0001184300000000, 0.0003345600000000 ] - [ 0.0000086000000000, -0.0000381000000000, -0.0003123800000000 ] - [ 0.0000984400000000, 0.0001387100000000, 0.0002820800000000 ] - [ -0.0006238500000000, 0.0005377700000000, 0.0014115400000000 ] - [ -0.0003764200000000, 0.0000420800000000, -0.0002823900000000 ] - [ 0.0000314700000000, -0.0000815800000000, 0.0001855800000000 ] - [ 0.0004487500000000, 0.0001605900000000, -0.0001915400000000 ] - [ 0.0001011300000000, 0.0002007800000000, -0.0000001200000000 ] - [ -0.0007181200000000, -0.0003136500000000, -0.0000926800000000 ] - [ -0.0001334700000000, 0.0000814000000000, 0.0001549500000000 ] - [ -0.0594044800000000, -0.0188987800000000, -0.0234111800000000 ] - [ 0.0001593500000000, 0.0000894100000000, 0.0000818100000000 ] - [ 0.0000108100000000, -0.0001239200000000, 0.0000547400000000 ] - [ -0.0000574400000000, 0.0001199400000000, 0.0000014700000000 ] - [ 0.0008825500000000, 0.0002046400000000, 0.0005806700000000 ] - [ -0.0005683900000000, 0.0001982000000000, -0.0002546800000000 ] - [ -0.0004187500000000, -0.0000658600000000, 0.0000934400000000 ] - [ -0.0000041100000000, -0.0000447300000000, 0.0000335400000000 ] - [ 0.0001764300000000, -0.0000345900000000, 0.0001246400000000 ] - [ -0.0000730700000000, 0.0000301800000000, -0.0000505200000000 ] - [ 0.0000147100000000, -0.0000933600000000, -0.0001010300000000 ] - [ 0.0001547800000000, -0.0001123800000000, 0.0000927200000000 ] - [ 0.0012505400000000, -0.0002473000000000, 0.0002176500000000 ] - [ -0.0000663100000000, 0.0001266800000000, 0.0001215100000000 ] - [ 0.0000826600000000, -0.0000561300000000, -0.0000601000000000 ] - [ 0.0000987300000000, 0.0000140100000000, 0.0001134800000000 ] - [ -0.0001098600000000, 0.0000454300000000, 0.0000842000000000 ] - [ -0.0034625200000000, 0.0025942500000000, 0.0028421400000000 ] - [ 0.0001270900000000, 0.0001084700000000, -0.0000432400000000 ] - [ 0.0000287200000000, 0.0000505600000000, -0.0000418500000000 ] - [ 0.0000068300000000, -0.0000704500000000, -0.0000247600000000 ] - [ -0.0024107400000000, 0.0020327800000000, -0.0024959600000000 ] - [ 0.0001283900000000, 0.0000897900000000, 0.0001146100000000 ] - [ 0.0000473700000000, 0.0000110000000000, -0.0000044900000000 ] - [ 0.0000457800000000, 0.0000321900000000, -0.0000156700000000 ] - [ -0.0016710600000000, 0.0007793600000000, -0.0011262400000000 ] - [ 0.0000442900000000, 0.0000004300000000, 0.0000635200000000 ] - [ 0.0001644800000000, -0.0000983900000000, -0.0001257900000000 ] - [ -0.0012014900000000, 0.0010621000000000, 0.0005985300000000 ] - [ 0.0003948500000000, -0.0003192300000000, -0.0004108000000000 ] - [ 0.0000853000000000, 0.0000889500000000, -0.0000392700000000 ] - [ 0.0000783200000000, -0.0001058900000000, 0.0000839000000000 ] - [ -0.0000846500000000, 0.0000702900000000, -0.0000104800000000 ] - [ 0.0001536600000000, 0.0005263100000000, 0.0002677900000000 ] - [ 0.0000876700000000, 0.0001284900000000, 0.0002398700000000 ] - [ 0.0002881600000000, -0.0005800400000000, -0.0001350800000000 ] - [ -0.0000667400000000, 0.0001002700000000, 0.0001676900000000 ] - [ 0.0000538400000000, 0.0004573000000000, -0.0005665500000000 ] - [ -0.0001033000000000, 0.0000761400000000, -0.0001611900000000 ] - [ 0.0000284000000000, -0.0000599700000000, 0.0001354300000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001306900000000, -0.0001832100000000, 0.0000390000000000 ] - [ -0.0000068400000000, -0.0005347700000000, 0.0001240600000000 ] - [ 0.0001207900000000, 0.0005635000000000, 0.0001983000000000 ] - [ 0.0002065000000000, 0.0001169200000000, 0.0000051300000000 ] - [ -0.0000742800000000, -0.0001639300000000, -0.0000580400000000 ] - [ -0.0000162000000000, -0.0001914300000000, 0.0000736600000000 ] - [ 0.0000831100000000, 0.0002937100000000, -0.0000087600000000 ] - [ 0.0000351200000000, 0.0002196100000000, -0.0000150900000000 ] - [ 0.0007233800000000, 0.0004273500000000, -0.0000273700000000 ] - [ -0.0000407800000000, -0.0002890900000000, -0.0000433100000000 ] - [ 0.0000208900000000, 0.0004975000000000, 0.0001913700000000 ] - [ -0.0000542400000000, 0.0001699800000000, -0.0000235400000000 ] - [ -0.0000954600000000, -0.0000926000000000, 0.0000837600000000 ] - [ 0.0003157800000000, 0.0000542200000000, -0.0004695300000000 ] - [ 0.0001413800000000, 0.0002193500000000, -0.0000011800000000 ] - [ -0.0002307400000000, 0.0012153300000000, -0.0000949900000000 ] - [ 0.0000038700000000, -0.0001275000000000, -0.0000084300000000 ] - [ 0.0000799200000000, -0.0008995200000000, 0.0000799900000000 ] - [ 0.0001348700000000, 0.0003473300000000, -0.0001964200000000 ] - [ -0.0000128200000000, 0.0002527200000000, -0.0000081600000000 ] - [ -0.0112847900000000, -0.0424850100000000, -0.0172406100000000 ] - [ 0.0000934100000000, -0.0002154000000000, 0.0000648400000000 ] - [ -0.0000774200000000, 0.0001989800000000, 0.0000922300000000 ] - [ -0.0000930600000000, 0.0000255400000000, -0.0000710900000000 ] - [ 0.0004357700000000, -0.0006321500000000, 0.0002121300000000 ] - [ 0.0000106400000000, -0.0000858500000000, -0.0000116700000000 ] - [ -0.0001562200000000, 0.0002953100000000, -0.0000313900000000 ] - [ -0.0000621400000000, 0.0002093800000000, -0.0002392400000000 ] - [ -0.0022627500000000, -0.0005785000000000, -0.0027439600000000 ] - [ -0.0000441700000000, -0.0003544200000000, 0.0000413000000000 ] - [ 0.0000587000000000, 0.0004412800000000, -0.0000658700000000 ] - [ -0.0000289800000000, -0.0000536700000000, -0.0001283300000000 ] - [ -0.0005426000000000, -0.0000178300000000, 0.0007208100000000 ] - [ -0.0000806200000000, 0.0000327000000000, -0.0000731700000000 ] - [ -0.0000787700000000, 0.0002246000000000, -0.0000552400000000 ] - [ 0.0000221200000000, -0.0000375500000000, 0.0000239400000000 ] - [ 0.0009663200000000, -0.0006166400000000, 0.0001051800000000 ] - [ 0.0009809400000000, 0.0000830700000000, 0.0008246100000000 ] - [ -0.0001584700000000, 0.0002150000000000, 0.0001507500000000 ] - [ -0.0001662900000000, -0.0000125400000000, -0.0001631400000000 ] - [ -0.0000184600000000, -0.0000687900000000, 0.0002196100000000 ] - [ 0.0027170900000000, 0.0009929600000000, 0.0050427000000000 ] - [ 0.0001433200000000, -0.0000216300000000, -0.0001504100000000 ] - [ 0.0000953200000000, 0.0001993200000000, -0.0000103100000000 ] - [ 0.0000874900000000, -0.0004029700000000, -0.0003458800000000 ] - [ -0.0000366200000000, -0.0001253200000000, 0.0001013400000000 ] - [ 0.0000123600000000, 0.0002082200000000, 0.0002003300000000 ] - [ -0.0000700700000000, 0.0005294900000000, -0.0003699000000000 ] - [ -0.0002030700000000, 0.0003847000000000, 0.0002509900000000 ] - [ -0.0006091400000000, -0.0000852800000000, 0.0004250300000000 ] - [ -0.0001913300000000, -0.0001828200000000, 0.0003872900000000 ] - [ 0.0000733700000000, -0.0000529300000000, -0.0001203500000000 ] - [ 0.0000812800000000, -0.0000620500000000, 0.0000408600000000 ] - [ -0.0001412500000000, 0.0003354900000000, -0.0001236500000000 ] - [ -0.0001388500000000, -0.0000580900000000, 0.0002519600000000 ] - [ -0.0000521500000000, -0.0000547700000000, 0.0000553700000000 ] - [ -0.0000038100000000, -0.0001194900000000, 0.0000098300000000 ] - [ 0.0000403300000000, -0.0003322500000000, 0.0001905000000000 ] - [ -0.0001488700000000, 0.0007983700000000, -0.0011013000000000 ] - [ 0.0000237800000000, 0.0002683700000000, 0.0001735700000000 ] - [ 0.0000699900000000, 0.0000890500000000, 0.0001877100000000 ] - [ 0.0001171900000000, -0.0001064200000000, -0.0000029100000000 ] - [ -0.0004930500000000, -0.0000110600000000, -0.0003177300000000 ] - [ -0.0005712700000000, 0.0013159500000000, 0.0007534800000000 ] - [ 0.0000078400000000, -0.0002393400000000, -0.0003295400000000 ] - [ 0.0000195300000000, 0.0000961000000000, 0.0002177400000000 ] - [ -0.0005408500000000, 0.0000094800000000, -0.0000899500000000 ] - [ -0.0000628200000000, 0.0000060200000000, -0.0003169200000000 ] - [ 0.0000802500000000, -0.0000664300000000, -0.0003305100000000 ] - [ -0.0000279900000000, 0.0002216500000000, 0.0000612300000000 ] - [ -0.0000059700000000, 0.0002289600000000, -0.0000999900000000 ] - [ 0.0000322300000000, 0.0000019800000000, -0.0001138200000000 ] - [ 0.0005270100000000, -0.0002689600000000, -0.0001482400000000 ] - [ -0.0001536700000000, -0.0000438400000000, 0.0005986100000000 ] - [ -0.0001008200000000, 0.0004593100000000, -0.0000269300000000 ] - [ -0.0001606500000000, 0.0000254800000000, -0.0000167400000000 ] - [ 0.0006444600000000, -0.0004422500000000, -0.0007286900000000 ] - [ -0.0000530900000000, -0.0001714600000000, 0.0004325900000000 ] - [ -0.0000068700000000, 0.0003699200000000, 0.0001961500000000 ] - [ 0.0000209200000000, 0.0000449500000000, -0.0003544400000000 ] - [ 0.0001216600000000, 0.0002732200000000, 0.0001852900000000 ] - [ -0.0008747000000000, 0.0032658800000000, -0.0011160700000000 ] - [ 0.0003016100000000, -0.0005695600000000, 0.0007181400000000 ] - [ 0.0000608900000000, -0.0004023800000000, 0.0002114600000000 ] - [ 0.0000507200000000, 0.0001196900000000, 0.0003939100000000 ] - [ -0.0000295800000000, 0.0006994300000000, -0.0002911600000000 ] - [ -0.0005890500000000, -0.0011072600000000, -0.0000328900000000 ] - [ -0.0001484300000000, -0.0001412200000000, 0.0001315500000000 ] - [ 0.0178098400000000, 0.0133501100000000, 0.0073015200000000 ] - [ -0.0003649600000000, 0.0005551900000000, -0.0001437600000000 ] - [ 0.0000096200000000, -0.0003282900000000, 0.0000590700000000 ] - [ 0.0000061700000000, 0.0000014600000000, -0.0000527400000000 ] - [ -0.0005532800000000, 0.0006389700000000, -0.0002520700000000 ] - [ -0.0000602700000000, 0.0005012700000000, -0.0002697700000000 ] - [ 0.0002355700000000, -0.0005934800000000, -0.0000667400000000 ] - [ 0.0000113900000000, -0.0001757300000000, 0.0000498900000000 ] - [ 0.0000447300000000, 0.0002165600000000, -0.0000187100000000 ] - [ 0.0000129000000000, 0.0001921300000000, 0.0000499600000000 ] - [ 0.0000461700000000, -0.0005114600000000, -0.0001774400000000 ] - [ 0.0002543200000000, -0.0002811900000000, 0.0002853200000000 ] - [ 0.0001383300000000, 0.0006974900000000, -0.0002329800000000 ] - [ -0.0000205900000000, 0.0001685500000000, -0.0002629000000000 ] - [ 0.0001031800000000, -0.0004248700000000, 0.0000529900000000 ] - [ 0.0000893900000000, -0.0000482500000000, 0.0000942400000000 ] - [ -0.0000808900000000, 0.0000229400000000, -0.0000399700000000 ] - [ -0.0025017500000000, 0.0053998400000000, 0.0042978900000000 ] - [ 0.0000554300000000, 0.0001128800000000, -0.0000117900000000 ] - [ 0.0000469700000000, -0.0004379400000000, 0.0001719100000000 ] - [ 0.0003133700000000, -0.0001399900000000, -0.0001604000000000 ] - [ -0.0025514100000000, 0.0051948800000000, -0.0042423100000000 ] - [ -0.0000693200000000, -0.0000676900000000, -0.0001648500000000 ] - [ 0.0000693400000000, -0.0001441900000000, 0.0000915400000000 ] - [ 0.0000326400000000, 0.0001829200000000, -0.0000284300000000 ] - [ -0.0006833800000000, 0.0024216800000000, -0.0007661800000000 ] - [ 0.0000942100000000, -0.0002118700000000, 0.0000842300000000 ] - [ 0.0002425600000000, -0.0003383800000000, -0.0002473400000000 ] - [ -0.0008400300000000, 0.0110827900000000, 0.0081317200000000 ] - [ 0.0002042100000000, 0.0003566400000000, 0.0002782800000000 ] - [ 0.0000779200000000, 0.0000043900000000, -0.0000789500000000 ] - [ 0.0000968900000000, -0.0003189800000000, -0.0000253200000000 ] - [ -0.0000454100000000, -0.0001427400000000, -0.0001520500000000 ] - [ -0.0008459900000000, -0.0006125100000000, 0.0000265000000000 ] - [ 0.0000091200000000, 0.0002589900000000, 0.0001262000000000 ] - [ 0.0003156400000000, -0.0003260000000000, 0.0000613700000000 ] - [ -0.0000832000000000, -0.0004634300000000, -0.0000065800000000 ] - [ -0.0002555700000000, -0.0002401300000000, 0.0001465300000000 ] - [ 0.0000321600000000, 0.0001437800000000, -0.0002471000000000 ] - [ -0.0000273900000000, -0.0000354800000000, 0.0001878000000000 ]- atom: 21 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001096300000000, 0.0001884100000000, 0.0000103900000000 ] - [ -0.0002374100000000, 0.0005256500000000, -0.0001799000000000 ] - [ 0.0001227700000000, -0.0005555500000000, -0.0002503800000000 ] - [ 0.0000371300000000, -0.0001227500000000, 0.0000484800000000 ] - [ 0.0000225300000000, 0.0000962500000000, 0.0000295200000000 ] - [ -0.0000382800000000, 0.0002577200000000, -0.0000444800000000 ] - [ -0.0000291000000000, -0.0003587900000000, 0.0000370400000000 ] - [ 0.0000195800000000, -0.0001528400000000, -0.0000132800000000 ] - [ -0.0006080500000000, -0.0004489000000000, -0.0000087600000000 ] - [ 0.0001560700000000, 0.0003128100000000, 0.0000777700000000 ] - [ -0.0001366900000000, -0.0005178100000000, -0.0001540300000000 ] - [ -0.0000606900000000, -0.0001448900000000, -0.0000114200000000 ] - [ -0.0001979200000000, 0.0002402000000000, -0.0000176900000000 ] - [ -0.0006060300000000, -0.0002023200000000, 0.0004012900000000 ] - [ 0.0001519700000000, -0.0000712600000000, -0.0000644600000000 ] - [ 0.0005324000000000, -0.0013735900000000, 0.0001609400000000 ] - [ 0.0000014800000000, 0.0001146200000000, -0.0000346400000000 ] - [ -0.0000767400000000, 0.0009094500000000, -0.0000284800000000 ] - [ -0.0001416200000000, -0.0003606000000000, 0.0002409200000000 ] - [ 0.0000085400000000, -0.0002401100000000, -0.0000359900000000 ] - [ 0.0113756400000000, 0.0421473000000000, 0.0169764900000000 ] - [ 0.0000762100000000, 0.0001265000000000, 0.0001010200000000 ] - [ -0.0000910800000000, -0.0001108300000000, 0.0000721100000000 ] - [ -0.0000752300000000, -0.0001136700000000, -0.0000931200000000 ] - [ -0.0003783300000000, 0.0007459500000000, -0.0001560600000000 ] - [ 0.0000465800000000, -0.0000283500000000, -0.0000417000000000 ] - [ 0.0000985400000000, -0.0001811400000000, -0.0000232600000000 ] - [ 0.0000056100000000, -0.0003172600000000, 0.0002878000000000 ] - [ 0.0022312000000000, 0.0009865000000000, 0.0027545500000000 ] - [ -0.0000024200000000, -0.0000577900000000, -0.0000495100000000 ] - [ -0.0000118300000000, -0.0000293700000000, 0.0000563700000000 ] - [ 0.0000759100000000, -0.0003568100000000, 0.0001365700000000 ] - [ 0.0003868300000000, -0.0000013100000000, -0.0005471200000000 ] - [ -0.0000766000000000, -0.0000133700000000, -0.0001004100000000 ] - [ 0.0002333200000000, -0.0002426000000000, -0.0001197300000000 ] - [ 0.0001353600000000, 0.0000578200000000, 0.0001504100000000 ] - [ -0.0006859800000000, 0.0007338400000000, -0.0004340200000000 ] - [ -0.0006909500000000, -0.0001982000000000, -0.0004888800000000 ] - [ -0.0001252900000000, -0.0000996700000000, 0.0001804200000000 ] - [ -0.0001171900000000, -0.0001031000000000, -0.0001683300000000 ] - [ -0.0002551900000000, -0.0000201800000000, -0.0002214300000000 ] - [ -0.0030000500000000, -0.0009123800000000, -0.0050740600000000 ] - [ 0.0001319000000000, -0.0000673700000000, 0.0001553300000000 ] - [ 0.0001796000000000, -0.0001109600000000, 0.0000053500000000 ] - [ -0.0001010200000000, 0.0003242000000000, -0.0000559900000000 ] - [ 0.0000227900000000, 0.0002025400000000, 0.0003017700000000 ] - [ 0.0000015500000000, -0.0002857600000000, 0.0002030400000000 ] - [ 0.0000837800000000, -0.0004504500000000, -0.0000339900000000 ] - [ 0.0000604400000000, -0.0003207800000000, -0.0005528300000000 ] - [ 0.0004833100000000, 0.0000375000000000, -0.0001080100000000 ] - [ 0.0003151800000000, 0.0002312000000000, -0.0000750600000000 ] - [ 0.0000513800000000, 0.0000032800000000, -0.0001934800000000 ] - [ 0.0000749000000000, -0.0000570200000000, -0.0000703500000000 ] - [ 0.0002938200000000, -0.0002196200000000, 0.0001540000000000 ] - [ -0.0000188300000000, -0.0000603000000000, -0.0002220200000000 ] - [ -0.0001037800000000, 0.0001729000000000, -0.0000826000000000 ] - [ -0.0001068000000000, -0.0000959000000000, 0.0003334100000000 ] - [ -0.0001523700000000, 0.0005467600000000, -0.0005340200000000 ] - [ 0.0002650600000000, -0.0010146800000000, 0.0007639700000000 ] - [ 0.0000884900000000, -0.0000532900000000, 0.0001698000000000 ] - [ 0.0001321400000000, 0.0000281900000000, 0.0000390000000000 ] - [ 0.0000858300000000, -0.0000117400000000, -0.0002223700000000 ] - [ 0.0002922100000000, 0.0001293100000000, 0.0000922000000000 ] - [ 0.0003641800000000, -0.0014146100000000, -0.0005193700000000 ] - [ 0.0000548500000000, 0.0000856300000000, -0.0000803000000000 ] - [ 0.0000423100000000, 0.0000580900000000, 0.0001903900000000 ] - [ 0.0004751500000000, -0.0001581700000000, 0.0004952800000000 ] - [ 0.0000002800000000, 0.0001474000000000, -0.0000906500000000 ] - [ -0.0001441000000000, 0.0000257700000000, 0.0001002800000000 ] - [ -0.0000399700000000, -0.0001868000000000, 0.0001609900000000 ] - [ 0.0000735800000000, -0.0002659100000000, 0.0003248500000000 ] - [ 0.0000352300000000, 0.0000342400000000, -0.0001100600000000 ] - [ -0.0001576400000000, 0.0003692900000000, 0.0001042600000000 ] - [ 0.0004781000000000, -0.0000460200000000, -0.0005481500000000 ] - [ -0.0002219800000000, -0.0003717700000000, 0.0000803100000000 ] - [ -0.0001617700000000, -0.0001124400000000, -0.0000359900000000 ] - [ -0.0006963200000000, 0.0005761900000000, 0.0001833500000000 ] - [ -0.0000021000000000, 0.0000347000000000, 0.0001065800000000 ] - [ 0.0000615700000000, -0.0002328400000000, 0.0003415900000000 ] - [ 0.0000342300000000, -0.0001810900000000, -0.0001845800000000 ] - [ 0.0000186100000000, -0.0000918800000000, 0.0002336600000000 ] - [ 0.0010140800000000, -0.0034528900000000, 0.0006817700000000 ] - [ -0.0004455300000000, 0.0007497400000000, -0.0011405700000000 ] - [ -0.0002009700000000, 0.0002209500000000, 0.0002093300000000 ] - [ 0.0002767200000000, -0.0002755200000000, -0.0000812100000000 ] - [ 0.0003590200000000, -0.0005433300000000, -0.0000219100000000 ] - [ 0.0002614100000000, 0.0009513400000000, -0.0002797400000000 ] - [ -0.0001811700000000, 0.0002974400000000, 0.0001797800000000 ] - [ -0.0178767100000000, -0.0134823300000000, -0.0075149500000000 ] - [ 0.0004189500000000, -0.0002903900000000, 0.0002999200000000 ] - [ -0.0000669000000000, 0.0000646400000000, 0.0001008300000000 ] - [ -0.0000630200000000, 0.0002616300000000, -0.0001071500000000 ] - [ 0.0005375900000000, -0.0006146200000000, 0.0002460600000000 ] - [ 0.0000457000000000, -0.0005308500000000, 0.0002886700000000 ] - [ -0.0002213100000000, 0.0006209100000000, 0.0000858400000000 ] - [ 0.0000029400000000, 0.0001456100000000, -0.0000677800000000 ] - [ -0.0000259200000000, -0.0003044900000000, 0.0001575900000000 ] - [ 0.0000078500000000, -0.0001026700000000, -0.0001899500000000 ] - [ -0.0000652300000000, 0.0004214600000000, 0.0000373100000000 ] - [ -0.0002747600000000, 0.0003686500000000, -0.0001470200000000 ] - [ -0.0002667900000000, -0.0007991300000000, 0.0002699300000000 ] - [ -0.0000998500000000, -0.0000630800000000, 0.0002208800000000 ] - [ 0.0000183100000000, 0.0003184900000000, -0.0000914000000000 ] - [ 0.0000326000000000, 0.0001522400000000, -0.0000539000000000 ] - [ -0.0001370600000000, 0.0000985700000000, 0.0001828600000000 ] - [ 0.0023659800000000, -0.0055673700000000, -0.0045534200000000 ] - [ 0.0001620700000000, 0.0000081500000000, -0.0001320900000000 ] - [ 0.0001703900000000, 0.0003140400000000, -0.0000273900000000 ] - [ -0.0004014500000000, 0.0000936200000000, 0.0001639600000000 ] - [ 0.0025282800000000, -0.0051826400000000, 0.0043395500000000 ] - [ 0.0001580400000000, 0.0000209300000000, 0.0001584900000000 ] - [ 0.0000204500000000, 0.0001893900000000, -0.0000859200000000 ] - [ -0.0000702500000000, -0.0001627900000000, -0.0001013600000000 ] - [ 0.0006495200000000, -0.0023288300000000, 0.0007834100000000 ] - [ -0.0000576800000000, 0.0002309600000000, 0.0000441900000000 ] - [ -0.0002055900000000, 0.0003183700000000, 0.0001190500000000 ] - [ 0.0007470400000000, -0.0105791800000000, -0.0078039200000000 ] - [ -0.0003167800000000, -0.0005951500000000, -0.0003118700000000 ] - [ 0.0000309500000000, 0.0002404000000000, 0.0000404900000000 ] - [ 0.0000110700000000, 0.0000726600000000, 0.0000628200000000 ] - [ -0.0000450000000000, 0.0003121000000000, 0.0000924600000000 ] - [ 0.0007531300000000, 0.0004374000000000, 0.0000299200000000 ] - [ 0.0000827000000000, -0.0000878800000000, -0.0000679600000000 ] - [ -0.0002256700000000, 0.0001588200000000, -0.0001171100000000 ] - [ 0.0001239600000000, 0.0004788800000000, 0.0001881300000000 ] - [ 0.0002965100000000, 0.0002193400000000, -0.0003254200000000 ] - [ -0.0000721000000000, -0.0001271000000000, 0.0000645300000000 ] - [ -0.0000147000000000, 0.0000181700000000, -0.0000063100000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001794200000000, -0.0000576100000000, -0.0001487400000000 ] - [ -0.0004626800000000, 0.0000684000000000, 0.0018368800000000 ] - [ 0.0002019000000000, 0.0005101600000000, 0.0001441800000000 ] - [ 0.0000933900000000, -0.0000082800000000, 0.0001767300000000 ] - [ 0.0002176000000000, -0.0000743300000000, 0.0000347200000000 ] - [ -0.0001179100000000, -0.0000287600000000, 0.0005388000000000 ] - [ -0.0000935400000000, -0.0001063900000000, -0.0003208600000000 ] - [ 0.0000710800000000, 0.0000342400000000, -0.0000401800000000 ] - [ 0.0002123800000000, 0.0000906700000000, -0.0006043100000000 ] - [ -0.0000893000000000, -0.0000559400000000, 0.0001499400000000 ] - [ 0.0000758200000000, 0.0005934000000000, 0.0002295400000000 ] - [ -0.0000496100000000, 0.0000145500000000, 0.0001275400000000 ] - [ -0.0000699800000000, 0.0000608800000000, 0.0003169000000000 ] - [ -0.0004919700000000, -0.0002338200000000, 0.0003075500000000 ] - [ 0.0001101800000000, 0.0000993200000000, -0.0000695700000000 ] - [ 0.0001969500000000, -0.0001481200000000, -0.0006343200000000 ] - [ -0.0000195300000000, -0.0000341300000000, 0.0001870000000000 ] - [ -0.0002218700000000, -0.0001625200000000, 0.0015110200000000 ] - [ -0.0000999400000000, -0.0002412700000000, 0.0002047900000000 ] - [ 0.0000152000000000, -0.0000064000000000, -0.0001337000000000 ] - [ -0.0257018300000000, -0.0170227800000000, -0.0458150900000000 ] - [ 0.0000907400000000, -0.0000623900000000, 0.0000297400000000 ] - [ -0.0000977300000000, 0.0000340400000000, 0.0000697300000000 ] - [ -0.0001251100000000, -0.0000550900000000, 0.0001186900000000 ] - [ 0.0002982300000000, 0.0000437500000000, 0.0001787600000000 ] - [ 0.0000525900000000, -0.0000792600000000, 0.0002585200000000 ] - [ -0.0000357000000000, 0.0000335500000000, -0.0002201500000000 ] - [ -0.0000750700000000, -0.0006734100000000, 0.0005399200000000 ] - [ 0.0039622000000000, -0.0007666900000000, 0.0015492900000000 ] - [ 0.0000147100000000, -0.0001570000000000, 0.0002550400000000 ] - [ 0.0000485000000000, 0.0002809200000000, -0.0001280800000000 ] - [ 0.0000187800000000, -0.0003675800000000, 0.0002008800000000 ] - [ -0.0004342200000000, 0.0000013100000000, 0.0004434100000000 ] - [ -0.0001173600000000, -0.0000939800000000, 0.0000553800000000 ] - [ -0.0000168200000000, -0.0000301900000000, -0.0002366900000000 ] - [ 0.0001370100000000, 0.0000638000000000, 0.0001152200000000 ] - [ -0.0009986700000000, -0.0003796900000000, -0.0013862600000000 ] - [ 0.0008376800000000, 0.0000699600000000, 0.0007124500000000 ] - [ -0.0000701300000000, 0.0000020500000000, 0.0001523900000000 ] - [ -0.0000681300000000, -0.0000165300000000, 0.0001064600000000 ] - [ -0.0000376400000000, -0.0000216900000000, 0.0003168700000000 ] - [ 0.0027051700000000, 0.0029785900000000, 0.0024655000000000 ] - [ 0.0001430300000000, -0.0000735300000000, 0.0002465100000000 ] - [ 0.0001553600000000, -0.0000037400000000, -0.0001192800000000 ] - [ 0.0001031700000000, -0.0000857800000000, 0.0001787500000000 ] - [ -0.0000575500000000, -0.0000361900000000, 0.0005040700000000 ] - [ 0.0000010900000000, -0.0000622200000000, 0.0000869700000000 ] - [ 0.0001083400000000, -0.0001843200000000, -0.0003287300000000 ] - [ 0.0003530000000000, 0.0000067700000000, -0.0007619600000000 ] - [ -0.0008253600000000, -0.0003027800000000, -0.0000509500000000 ] - [ 0.0001591700000000, 0.0000733600000000, 0.0001365500000000 ] - [ 0.0000623600000000, 0.0000782100000000, -0.0000394900000000 ] - [ 0.0001070600000000, -0.0001134000000000, 0.0001653900000000 ] - [ 0.0001264400000000, -0.0002357600000000, 0.0001635900000000 ] - [ -0.0000760800000000, -0.0000504800000000, -0.0000959900000000 ] - [ -0.0001545100000000, -0.0000298900000000, -0.0002806700000000 ] - [ -0.0000604500000000, -0.0001509700000000, 0.0004729800000000 ] - [ 0.0000621000000000, 0.0000679000000000, 0.0003439000000000 ] - [ 0.0001861600000000, -0.0009369300000000, 0.0001487000000000 ] - [ 0.0000558600000000, 0.0001453400000000, 0.0000553900000000 ] - [ 0.0001237000000000, 0.0000806600000000, 0.0002851600000000 ] - [ 0.0001507700000000, -0.0000460900000000, -0.0000899200000000 ] - [ 0.0002617000000000, 0.0000553200000000, -0.0000114400000000 ] - [ -0.0001234100000000, 0.0001928200000000, -0.0000269600000000 ] - [ 0.0000357800000000, -0.0002029200000000, -0.0003136000000000 ] - [ 0.0000381600000000, 0.0001206200000000, 0.0001654600000000 ] - [ -0.0001102400000000, -0.0001232800000000, -0.0000355200000000 ] - [ 0.0001269100000000, 0.0000404400000000, 0.0000153100000000 ] - [ -0.0001678100000000, 0.0000893800000000, -0.0001096000000000 ] - [ 0.0000580200000000, 0.0003171800000000, 0.0003620700000000 ] - [ 0.0001653100000000, -0.0002809700000000, 0.0003157500000000 ] - [ 0.0000832000000000, 0.0000085100000000, -0.0000734800000000 ] - [ -0.0001038600000000, -0.0000506600000000, -0.0003054900000000 ] - [ -0.0005834100000000, 0.0006764000000000, 0.0009371500000000 ] - [ -0.0002633500000000, 0.0001090500000000, 0.0001595900000000 ] - [ -0.0001244600000000, -0.0000436500000000, 0.0001104100000000 ] - [ -0.0004264000000000, -0.0001386300000000, -0.0005375700000000 ] - [ -0.0001841500000000, 0.0001058000000000, 0.0007789300000000 ] - [ -0.0000126100000000, 0.0001889700000000, 0.0000217700000000 ] - [ 0.0000125000000000, -0.0001121800000000, -0.0000892800000000 ] - [ 0.0000769600000000, 0.0001363900000000, -0.0004057200000000 ] - [ -0.0007055000000000, 0.0002043900000000, -0.0023334800000000 ] - [ -0.0002136700000000, 0.0006187700000000, -0.0008686700000000 ] - [ -0.0000947300000000, -0.0000887100000000, 0.0004997100000000 ] - [ 0.0001276900000000, -0.0001132600000000, -0.0001166600000000 ] - [ 0.0000990600000000, 0.0002648800000000, -0.0008436400000000 ] - [ -0.0002723900000000, 0.0003103300000000, 0.0006025700000000 ] - [ -0.0001746400000000, 0.0000565800000000, 0.0002547300000000 ] - [ 0.0225533400000000, 0.0076009200000000, 0.0166901100000000 ] - [ -0.0002929800000000, 0.0004044300000000, -0.0001282700000000 ] - [ -0.0000525000000000, -0.0001130800000000, 0.0001732100000000 ] - [ -0.0000913800000000, 0.0001936800000000, -0.0004180200000000 ] - [ -0.0003290900000000, 0.0000888900000000, 0.0002490100000000 ] - [ 0.0010377100000000, 0.0000190000000000, -0.0007921300000000 ] - [ 0.0001630400000000, -0.0005689800000000, 0.0001695800000000 ] - [ 0.0000151800000000, -0.0000243800000000, -0.0002034500000000 ] - [ -0.0001006600000000, 0.0000188900000000, -0.0002371000000000 ] - [ 0.0000370200000000, 0.0003645000000000, -0.0005842600000000 ] - [ 0.0000270700000000, 0.0000287600000000, 0.0000623300000000 ] - [ -0.0001249400000000, 0.0002059400000000, 0.0002247500000000 ] - [ -0.0005318300000000, -0.0004759100000000, 0.0006706100000000 ] - [ -0.0000871800000000, -0.0002118100000000, -0.0006052900000000 ] - [ 0.0000299300000000, -0.0000401500000000, 0.0002421000000000 ] - [ -0.0000001500000000, 0.0000927800000000, -0.0001780000000000 ] - [ -0.0000308100000000, 0.0000025800000000, -0.0001281300000000 ] - [ -0.0032802500000000, 0.0049018200000000, 0.0073087000000000 ] - [ 0.0001804600000000, 0.0000563200000000, -0.0003203500000000 ] - [ 0.0001966800000000, 0.0000125000000000, 0.0002624600000000 ] - [ 0.0001363200000000, -0.0002279800000000, 0.0003148200000000 ] - [ 0.0025652100000000, -0.0039346800000000, 0.0052015400000000 ] - [ -0.0000941500000000, -0.0002263400000000, -0.0003025200000000 ] - [ 0.0000456800000000, 0.0000646700000000, -0.0001832100000000 ] - [ 0.0000250100000000, 0.0000328900000000, -0.0003379200000000 ] - [ 0.0007758600000000, -0.0011570000000000, 0.0033066900000000 ] - [ 0.0000390400000000, -0.0000050900000000, -0.0000898000000000 ] - [ 0.0000554000000000, -0.0000864700000000, 0.0001581800000000 ] - [ -0.0004883900000000, 0.0083139500000000, 0.0073146600000000 ] - [ 0.0004998600000000, -0.0003781200000000, 0.0000885200000000 ] - [ 0.0001596400000000, 0.0000367800000000, -0.0002063500000000 ] - [ -0.0000204400000000, -0.0001975600000000, -0.0002122700000000 ] - [ -0.0000766100000000, -0.0000278900000000, -0.0002267800000000 ] - [ -0.0008752800000000, -0.0002594500000000, 0.0007720100000000 ] - [ -0.0002222800000000, 0.0002327700000000, -0.0005403700000000 ] - [ -0.0001817600000000, 0.0005348000000000, 0.0002342000000000 ] - [ -0.0000202300000000, -0.0000666000000000, 0.0002728300000000 ] - [ 0.0002031100000000, 0.0002673800000000, -0.0000541100000000 ] - [ 0.0002515500000000, -0.0001729100000000, -0.0006060600000000 ] - [ -0.0000304900000000, 0.0001226600000000, -0.0001311200000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000654900000000, 0.0000587600000000, 0.0002007400000000 ] - [ 0.0002198900000000, -0.0000718600000000, -0.0018669700000000 ] - [ 0.0000392000000000, -0.0005067900000000, -0.0001957600000000 ] - [ 0.0001480400000000, 0.0000044700000000, -0.0001241500000000 ] - [ -0.0002722700000000, 0.0000024000000000, -0.0000589600000000 ] - [ 0.0000649600000000, 0.0000978700000000, -0.0005091900000000 ] - [ 0.0001457700000000, 0.0000380300000000, 0.0003486900000000 ] - [ -0.0000180800000000, 0.0000350500000000, 0.0000117500000000 ] - [ -0.0000973000000000, -0.0001176500000000, 0.0005656400000000 ] - [ 0.0002015200000000, 0.0000814600000000, -0.0001144200000000 ] - [ -0.0001896100000000, -0.0006161300000000, -0.0001905700000000 ] - [ -0.0000630200000000, 0.0000114100000000, -0.0001636500000000 ] - [ -0.0002265500000000, 0.0000875300000000, -0.0002509200000000 ] - [ 0.0001970800000000, 0.0000834200000000, -0.0003725200000000 ] - [ 0.0001859700000000, 0.0000494400000000, 0.0000038100000000 ] - [ 0.0000968200000000, 0.0000026900000000, 0.0006977400000000 ] - [ 0.0000316800000000, 0.0000174300000000, -0.0002294500000000 ] - [ 0.0002358000000000, 0.0001799700000000, -0.0014816700000000 ] - [ 0.0000876900000000, 0.0002245700000000, -0.0001615900000000 ] - [ -0.0000271600000000, 0.0000231800000000, 0.0000897300000000 ] - [ 0.0259272100000000, 0.0171927100000000, 0.0454955800000000 ] - [ 0.0000827900000000, -0.0000285500000000, 0.0001348000000000 ] - [ -0.0000741900000000, 0.0000564900000000, 0.0000957200000000 ] - [ -0.0000469900000000, -0.0000354900000000, -0.0002831700000000 ] - [ -0.0002472100000000, 0.0000687600000000, -0.0001220400000000 ] - [ -0.0000024900000000, -0.0000323500000000, -0.0003118300000000 ] - [ -0.0000139500000000, 0.0000782200000000, 0.0001657400000000 ] - [ 0.0000239800000000, 0.0005591300000000, -0.0004844200000000 ] - [ -0.0040359500000000, 0.0012001600000000, -0.0015508900000000 ] - [ -0.0000602800000000, -0.0002541300000000, -0.0002598900000000 ] - [ -0.0000026100000000, 0.0001304400000000, 0.0001221700000000 ] - [ 0.0000268400000000, -0.0000444900000000, -0.0001946500000000 ] - [ 0.0002771400000000, -0.0000197700000000, -0.0002694100000000 ] - [ -0.0000414800000000, 0.0001109600000000, -0.0002304300000000 ] - [ 0.0001745700000000, 0.0000124000000000, 0.0000596900000000 ] - [ 0.0000222300000000, -0.0000462000000000, 0.0000606200000000 ] - [ 0.0012767300000000, 0.0004935400000000, 0.0010545200000000 ] - [ -0.0005540900000000, -0.0001853300000000, -0.0003785900000000 ] - [ -0.0002104800000000, 0.0001124300000000, 0.0001798900000000 ] - [ -0.0002121800000000, -0.0000987200000000, -0.0004381500000000 ] - [ -0.0002370400000000, -0.0000697100000000, -0.0003153900000000 ] - [ -0.0029929100000000, -0.0029305100000000, -0.0024802400000000 ] - [ 0.0001325300000000, -0.0000181500000000, -0.0002459500000000 ] - [ 0.0001200100000000, 0.0000952500000000, 0.0001189000000000 ] - [ -0.0001168600000000, 0.0000074300000000, -0.0005771600000000 ] - [ 0.0000442200000000, 0.0001140400000000, -0.0001025500000000 ] - [ 0.0000122800000000, -0.0000160000000000, 0.0003132800000000 ] - [ -0.0000950600000000, 0.0002623700000000, -0.0000722500000000 ] - [ -0.0004744100000000, 0.0000543300000000, 0.0004544200000000 ] - [ 0.0006938500000000, 0.0002525200000000, 0.0003638200000000 ] - [ -0.0000326500000000, -0.0000205900000000, 0.0001754300000000 ] - [ 0.0000649900000000, -0.0001308600000000, -0.0002713900000000 ] - [ 0.0000492900000000, -0.0000029600000000, -0.0001932600000000 ] - [ 0.0000292900000000, 0.0003498200000000, -0.0001340600000000 ] - [ -0.0000809700000000, -0.0000650500000000, 0.0001235200000000 ] - [ -0.0000005600000000, 0.0001456400000000, 0.0002544100000000 ] - [ -0.0000516200000000, -0.0000655700000000, -0.0001313800000000 ] - [ -0.0001754000000000, 0.0001479200000000, -0.0006823000000000 ] - [ -0.0000726600000000, 0.0007222900000000, -0.0004908400000000 ] - [ 0.0000571800000000, 0.0000714900000000, 0.0002845100000000 ] - [ 0.0000792500000000, 0.0000389500000000, -0.0000612500000000 ] - [ 0.0000523800000000, -0.0000733400000000, -0.0001331100000000 ] - [ -0.0004633000000000, 0.0000634100000000, -0.0002131300000000 ] - [ -0.0000795800000000, -0.0003169800000000, 0.0002473100000000 ] - [ 0.0000256200000000, 0.0000510500000000, -0.0000908600000000 ] - [ 0.0000230000000000, 0.0000324700000000, 0.0002399500000000 ] - [ 0.0000501200000000, -0.0000290500000000, 0.0004414400000000 ] - [ -0.0001866100000000, 0.0001125400000000, -0.0004188200000000 ] - [ 0.0001021800000000, -0.0001282800000000, -0.0001165700000000 ] - [ -0.0001249200000000, -0.0002794700000000, -0.0001366300000000 ] - [ -0.0000985800000000, 0.0002451200000000, -0.0000899000000000 ] - [ -0.0000159800000000, 0.0000298200000000, -0.0001521800000000 ] - [ 0.0004382000000000, 0.0001290600000000, 0.0002756400000000 ] - [ 0.0009033800000000, -0.0007570200000000, -0.0008871800000000 ] - [ -0.0000592800000000, -0.0000254500000000, -0.0001100100000000 ] - [ -0.0001983400000000, -0.0000398300000000, -0.0001594200000000 ] - [ 0.0003523400000000, 0.0002656500000000, 0.0000101100000000 ] - [ 0.0001274800000000, -0.0002393000000000, -0.0002371900000000 ] - [ 0.0000681000000000, -0.0000544300000000, 0.0005186000000000 ] - [ 0.0000427500000000, -0.0000221900000000, -0.0004504400000000 ] - [ 0.0000599100000000, 0.0000403400000000, 0.0008224400000000 ] - [ 0.0008486800000000, -0.0003786100000000, 0.0019121500000000 ] - [ 0.0000782200000000, -0.0004428500000000, 0.0004513100000000 ] - [ -0.0000422700000000, -0.0000876700000000, -0.0000799000000000 ] - [ 0.0001987100000000, -0.0000411300000000, 0.0004263100000000 ] - [ 0.0002288600000000, -0.0001043500000000, 0.0005252900000000 ] - [ -0.0000557600000000, -0.0004721200000000, -0.0009180800000000 ] - [ -0.0001519300000000, 0.0001033000000000, 0.0000628200000000 ] - [ -0.0227953500000000, -0.0079687200000000, -0.0167433300000000 ] - [ 0.0003447800000000, -0.0001407300000000, 0.0002843300000000 ] - [ -0.0000021100000000, -0.0001493600000000, -0.0000167100000000 ] - [ 0.0000374700000000, 0.0000691700000000, 0.0002602800000000 ] - [ 0.0003092900000000, -0.0000518300000000, -0.0002594300000000 ] - [ -0.0010462200000000, -0.0000528100000000, 0.0008129700000000 ] - [ -0.0001468900000000, 0.0006012200000000, -0.0001486800000000 ] - [ 0.0000027100000000, -0.0000079900000000, 0.0001827400000000 ] - [ 0.0001198600000000, -0.0001063600000000, 0.0003762600000000 ] - [ -0.0000173300000000, -0.0002786800000000, 0.0004440900000000 ] - [ -0.0000464500000000, -0.0001157500000000, -0.0002023900000000 ] - [ 0.0001054200000000, -0.0001175700000000, -0.0000825900000000 ] - [ 0.0004093600000000, 0.0003689800000000, -0.0006353100000000 ] - [ -0.0000353500000000, 0.0003146600000000, 0.0005665000000000 ] - [ 0.0000932800000000, -0.0000663000000000, -0.0002778200000000 ] - [ 0.0001232600000000, 0.0000134100000000, 0.0002135800000000 ] - [ -0.0001822500000000, 0.0001168900000000, 0.0002725400000000 ] - [ 0.0032089500000000, -0.0051843700000000, -0.0075974500000000 ] - [ 0.0000330400000000, 0.0000634400000000, 0.0001752500000000 ] - [ 0.0000165500000000, -0.0001323500000000, -0.0001176200000000 ] - [ -0.0002187000000000, 0.0001791100000000, -0.0003083200000000 ] - [ -0.0025283100000000, 0.0038532900000000, -0.0050933200000000 ] - [ 0.0001774400000000, 0.0001767000000000, 0.0002972700000000 ] - [ 0.0000375600000000, -0.0000154900000000, 0.0001869000000000 ] - [ -0.0000635800000000, -0.0000123300000000, 0.0002080200000000 ] - [ -0.0008184000000000, 0.0012455800000000, -0.0032628700000000 ] - [ -0.0000010500000000, 0.0000250600000000, 0.0002188900000000 ] - [ -0.0000169500000000, 0.0000668800000000, -0.0002878100000000 ] - [ 0.0003956100000000, -0.0078344800000000, -0.0071565100000000 ] - [ -0.0006077100000000, 0.0001336600000000, -0.0001174500000000 ] - [ -0.0000496800000000, 0.0002074700000000, 0.0001705600000000 ] - [ 0.0001301500000000, -0.0000473200000000, 0.0002467700000000 ] - [ -0.0000185100000000, 0.0002030300000000, 0.0001695600000000 ] - [ 0.0007810800000000, 0.0000813400000000, -0.0007173700000000 ] - [ 0.0003161600000000, -0.0000552700000000, 0.0005943400000000 ] - [ 0.0002782300000000, -0.0007101200000000, -0.0002915900000000 ] - [ 0.0000563000000000, 0.0000890600000000, -0.0000912300000000 ] - [ -0.0001675900000000, -0.0002921300000000, -0.0001235000000000 ] - [ -0.0002892000000000, 0.0001971400000000, 0.0004260600000000 ] - [ -0.0000055500000000, -0.0001449200000000, 0.0003105900000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003533900000000, -0.0009309200000000, -0.0006896700000000 ] - [ -0.0001063400000000, -0.0000080000000000, -0.0000394600000000 ] - [ 0.0001648100000000, -0.0003491200000000, 0.0000298700000000 ] - [ 0.0001252900000000, 0.0000184700000000, 0.0000826900000000 ] - [ 0.0001840700000000, -0.0005936500000000, 0.0000814000000000 ] - [ 0.0002624800000000, 0.0004097500000000, -0.0003116500000000 ] - [ -0.0002771500000000, -0.0000696200000000, -0.0001387000000000 ] - [ 0.0000570300000000, 0.0000013100000000, -0.0000360200000000 ] - [ 0.0001595000000000, -0.0000894200000000, -0.0000631800000000 ] - [ 0.0000270600000000, -0.0000149100000000, 0.0000005800000000 ] - [ 0.0002435500000000, -0.0000787200000000, 0.0000413200000000 ] - [ -0.0001099500000000, 0.0000448900000000, -0.0000186100000000 ] - [ -0.0007412800000000, 0.0002364100000000, -0.0001031300000000 ] - [ -0.0000420000000000, -0.0001065600000000, -0.0000153000000000 ] - [ 0.0001297200000000, 0.0000839900000000, -0.0000679400000000 ] - [ 0.0004163000000000, -0.0002444400000000, 0.0002593400000000 ] - [ -0.0002372300000000, -0.0005856600000000, 0.0005206300000000 ] - [ -0.0010234700000000, 0.0000625300000000, 0.0000935700000000 ] - [ -0.0000484900000000, -0.0000506700000000, 0.0000088100000000 ] - [ 0.0000383100000000, 0.0000040100000000, -0.0000622300000000 ] - [ 0.0002504100000000, 0.0004555600000000, 0.0001868200000000 ] - [ 0.0000970600000000, -0.0000288000000000, 0.0000592500000000 ] - [ -0.0000343500000000, 0.0001742900000000, 0.0000759600000000 ] - [ -0.0002468700000000, -0.0000802600000000, -0.0000346200000000 ] - [ -0.0808684100000000, -0.0116248400000000, 0.0007280300000000 ] - [ 0.0001037000000000, -0.0000602000000000, 0.0000195400000000 ] - [ -0.0000951500000000, 0.0000605800000000, -0.0000382200000000 ] - [ 0.0000150900000000, -0.0000657700000000, 0.0000108200000000 ] - [ 0.0000092000000000, 0.0022552800000000, 0.0013338200000000 ] - [ -0.0000053400000000, -0.0001792800000000, 0.0000125600000000 ] - [ 0.0000411200000000, 0.0003096900000000, -0.0000711600000000 ] - [ 0.0000027900000000, -0.0002018200000000, -0.0000127000000000 ] - [ 0.0026044500000000, 0.0006731300000000, 0.0001108600000000 ] - [ -0.0000271000000000, 0.0002812800000000, -0.0001537500000000 ] - [ 0.0001141200000000, 0.0000292200000000, -0.0000940900000000 ] - [ 0.0000669600000000, 0.0000386000000000, 0.0000859800000000 ] - [ -0.0005070100000000, 0.0001691300000000, 0.0000279100000000 ] - [ 0.0001941100000000, -0.0000767000000000, 0.0001701900000000 ] - [ -0.0002108600000000, 0.0000339200000000, 0.0001951300000000 ] - [ 0.0001759200000000, -0.0002248300000000, -0.0003214900000000 ] - [ -0.0000909900000000, -0.0000577400000000, 0.0000551700000000 ] - [ 0.0050159600000000, -0.0010595300000000, 0.0047674200000000 ] - [ 0.0001604400000000, -0.0001172300000000, -0.0000664800000000 ] - [ 0.0000961900000000, 0.0000308000000000, -0.0000380100000000 ] - [ 0.0003099900000000, 0.0018357000000000, -0.0013464600000000 ] - [ 0.0003024000000000, -0.0001360200000000, 0.0003186800000000 ] - [ 0.0000257300000000, 0.0000444500000000, 0.0001113400000000 ] - [ -0.0000345400000000, 0.0000472500000000, -0.0002439100000000 ] - [ 0.0001963700000000, 0.0005990400000000, -0.0002554500000000 ] - [ -0.0001293400000000, -0.0000152900000000, 0.0001361100000000 ] - [ 0.0000951600000000, 0.0000080700000000, 0.0002247500000000 ] - [ 0.0000015900000000, -0.0000562100000000, 0.0000237000000000 ] - [ 0.0003648700000000, -0.0000151800000000, 0.0003513700000000 ] - [ 0.0000386100000000, 0.0001760600000000, -0.0000595900000000 ] - [ -0.0000538800000000, -0.0000325900000000, 0.0000391800000000 ] - [ 0.0000715000000000, 0.0001058400000000, -0.0000571100000000 ] - [ 0.0000021600000000, -0.0001776900000000, 0.0002928700000000 ] - [ 0.0041826100000000, -0.0002789700000000, -0.0040511100000000 ] - [ 0.0000805700000000, -0.0001794600000000, -0.0001291200000000 ] - [ 0.0000511500000000, 0.0000958200000000, 0.0001414100000000 ] - [ 0.0001663100000000, 0.0001632400000000, 0.0000791900000000 ] - [ 0.0015517700000000, 0.0007971100000000, 0.0004484100000000 ] - [ -0.0000753600000000, 0.0000677400000000, -0.0001351600000000 ] - [ -0.0001005200000000, -0.0000347500000000, 0.0000551200000000 ] - [ 0.0035841600000000, 0.0018668900000000, 0.0004917700000000 ] - [ -0.0000216800000000, -0.0000388800000000, 0.0001189200000000 ] - [ -0.0000604400000000, -0.0001005400000000, 0.0002769000000000 ] - [ -0.0000126400000000, 0.0000559500000000, -0.0001130200000000 ] - [ -0.0000282900000000, 0.0000533300000000, -0.0004708900000000 ] - [ -0.0000455400000000, 0.0000207400000000, 0.0001466600000000 ] - [ 0.0000364300000000, 0.0000392800000000, 0.0000759300000000 ] - [ 0.0000343000000000, 0.0000406000000000, -0.0002083800000000 ] - [ 0.0004320900000000, -0.0001201700000000, -0.0001807400000000 ] - [ 0.0001283800000000, -0.0000171100000000, 0.0000040300000000 ] - [ -0.0000459700000000, 0.0001177300000000, -0.0000292300000000 ] - [ -0.0002467800000000, -0.0000960500000000, -0.0000970200000000 ] - [ 0.0003991500000000, -0.0000869500000000, -0.0004239200000000 ] - [ -0.0000554800000000, -0.0000954900000000, 0.0001808900000000 ] - [ 0.0001168800000000, 0.0001065700000000, 0.0002623100000000 ] - [ 0.0000080100000000, -0.0000407300000000, -0.0002353100000000 ] - [ -0.0000893600000000, 0.0002332700000000, -0.0000268200000000 ] - [ 0.0530319300000000, 0.0176044000000000, -0.0026313000000000 ] - [ -0.0000880600000000, 0.0001868400000000, -0.0001713200000000 ] - [ -0.0001020100000000, -0.0001312200000000, 0.0003112500000000 ] - [ -0.0002517400000000, 0.0001005300000000, 0.0000171800000000 ] - [ 0.0008758500000000, -0.0009690300000000, 0.0016414600000000 ] - [ -0.0000540000000000, 0.0002997600000000, -0.0004634100000000 ] - [ -0.0002116400000000, 0.0000705900000000, 0.0002396100000000 ] - [ 0.0010075700000000, -0.0013699300000000, -0.0017854400000000 ] - [ 0.0000252500000000, 0.0001277300000000, 0.0000709800000000 ] - [ 0.0000506500000000, -0.0002177300000000, 0.0000160200000000 ] - [ 0.0000029200000000, 0.0003865900000000, 0.0001931000000000 ] - [ -0.0003373600000000, 0.0002149000000000, 0.0002244400000000 ] - [ -0.0000265100000000, 0.0000416700000000, 0.0000693500000000 ] - [ -0.0002512000000000, 0.0001308800000000, -0.0000057300000000 ] - [ -0.0000038500000000, -0.0000615400000000, -0.0000193600000000 ] - [ 0.0033972800000000, -0.0025899400000000, 0.0033914300000000 ] - [ -0.0004737900000000, 0.0000252400000000, -0.0003247200000000 ] - [ 0.0000708400000000, -0.0000562500000000, -0.0000631000000000 ] - [ -0.0001373100000000, 0.0001056700000000, 0.0000711200000000 ] - [ 0.0042500500000000, -0.0028414200000000, -0.0033268000000000 ] - [ -0.0001246500000000, -0.0000410000000000, 0.0000984100000000 ] - [ 0.0002014100000000, -0.0000371400000000, -0.0000994800000000 ] - [ -0.0000563100000000, 0.0000946200000000, 0.0000293900000000 ] - [ 0.0000253700000000, 0.0000623000000000, 0.0000359300000000 ] - [ -0.0013036000000000, -0.0006543700000000, 0.0004881800000000 ] - [ 0.0002031500000000, 0.0001385600000000, -0.0000406400000000 ] - [ -0.0000345400000000, -0.0000092800000000, 0.0000781900000000 ] - [ 0.0001370600000000, -0.0000036900000000, 0.0001046100000000 ] - [ -0.0002447200000000, -0.0000178500000000, -0.0000670900000000 ] - [ 0.0021764000000000, -0.0014845400000000, -0.0017796300000000 ] - [ -0.0001026100000000, 0.0000603800000000, -0.0000284900000000 ] - [ 0.0001068400000000, -0.0000703600000000, -0.0001417900000000 ] - [ -0.0004858800000000, 0.0000175600000000, 0.0002902100000000 ] - [ 0.0000959000000000, 0.0000331800000000, 0.0000867500000000 ] - [ -0.0003178100000000, -0.0001224900000000, 0.0001715600000000 ] - [ -0.0001812600000000, 0.0000243200000000, -0.0000778400000000 ] - [ 0.0000731700000000, -0.0002444300000000, 0.0001160700000000 ] - [ -0.0001390300000000, -0.0000101800000000, -0.0002712100000000 ] - [ 0.0001552000000000, -0.0000689000000000, 0.0000553900000000 ] - [ -0.0001218000000000, 0.0001104900000000, -0.0000192500000000 ] - [ 0.0026185800000000, -0.0016463200000000, 0.0017566500000000 ] - [ -0.0001423000000000, 0.0000991800000000, 0.0001118900000000 ] - [ 0.0004729300000000, -0.0001668000000000, -0.0000169500000000 ] - [ -0.0000719600000000, 0.0000432600000000, 0.0001106500000000 ] - [ 0.0000806200000000, 0.0000626800000000, -0.0000900500000000 ] - [ -0.0011705500000000, -0.0004333400000000, -0.0007060100000000 ] - [ 0.0004649500000000, -0.0002203000000000, 0.0000522300000000 ]- atom: 25 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001101000000000, 0.0009380200000000, 0.0007441200000000 ] - [ -0.0001352900000000, 0.0000036500000000, -0.0000122100000000 ] - [ 0.0000665900000000, 0.0003563700000000, -0.0000828000000000 ] - [ 0.0001174000000000, -0.0000219000000000, -0.0000300400000000 ] - [ -0.0002360700000000, 0.0005194600000000, -0.0001097000000000 ] - [ -0.0003133400000000, -0.0003368500000000, 0.0003378900000000 ] - [ 0.0003210400000000, -0.0000004600000000, 0.0001629800000000 ] - [ -0.0000043500000000, 0.0000682000000000, 0.0000082600000000 ] - [ -0.0000464300000000, 0.0000636300000000, 0.0000261100000000 ] - [ 0.0000853600000000, 0.0000399700000000, 0.0000360000000000 ] - [ -0.0003522000000000, 0.0000532500000000, -0.0000068300000000 ] - [ -0.0000030200000000, -0.0000179200000000, -0.0000174200000000 ] - [ 0.0004398200000000, -0.0000903300000000, 0.0001742600000000 ] - [ -0.0002539600000000, -0.0000425400000000, -0.0000505600000000 ] - [ 0.0001663200000000, 0.0000651200000000, 0.0000027800000000 ] - [ -0.0001167100000000, 0.0000925300000000, -0.0001910700000000 ] - [ 0.0002481000000000, 0.0005708200000000, -0.0005652400000000 ] - [ 0.0009931000000000, -0.0000639300000000, -0.0000520300000000 ] - [ 0.0000358200000000, 0.0000339100000000, 0.0000346000000000 ] - [ -0.0000499000000000, 0.0000133300000000, 0.0000178800000000 ] - [ -0.0000771600000000, -0.0003612900000000, -0.0003503400000000 ] - [ 0.0000750200000000, -0.0000620700000000, 0.0001059000000000 ] - [ -0.0001372100000000, -0.0000830600000000, 0.0000895600000000 ] - [ 0.0000673100000000, -0.0000098400000000, -0.0001255000000000 ] - [ 0.0787986800000000, 0.0106556100000000, -0.0005581700000000 ] - [ -0.0000534900000000, -0.0000516800000000, -0.0000732200000000 ] - [ 0.0000454700000000, 0.0000524700000000, -0.0000166600000000 ] - [ -0.0000640900000000, -0.0000463100000000, 0.0000438000000000 ] - [ -0.0000595600000000, -0.0018073000000000, -0.0012971400000000 ] - [ -0.0000405400000000, -0.0002322400000000, -0.0000184200000000 ] - [ 0.0000063300000000, 0.0001062400000000, 0.0000641900000000 ] - [ 0.0000418500000000, -0.0002093700000000, 0.0000195100000000 ] - [ -0.0028161000000000, -0.0006772300000000, 0.0000780900000000 ] - [ -0.0001312700000000, -0.0002631500000000, -0.0000212600000000 ] - [ 0.0000443400000000, -0.0000455600000000, -0.0000830100000000 ] - [ 0.0000917400000000, -0.0000213300000000, 0.0000905000000000 ] - [ 0.0007825800000000, -0.0000574300000000, -0.0003668400000000 ] - [ 0.0000868200000000, -0.0000384200000000, 0.0001622800000000 ] - [ -0.0000698000000000, 0.0000816200000000, 0.0001370300000000 ] - [ -0.0004539900000000, 0.0001067400000000, -0.0000132300000000 ] - [ -0.0001848400000000, -0.0000335500000000, -0.0000557700000000 ] - [ -0.0051903700000000, 0.0010928300000000, -0.0046468700000000 ] - [ 0.0001147500000000, 0.0000244200000000, 0.0000662800000000 ] - [ 0.0001795300000000, 0.0000619800000000, 0.0000373100000000 ] - [ -0.0003282300000000, -0.0018789200000000, 0.0009164900000000 ] - [ -0.0003117600000000, 0.0002112400000000, 0.0000825600000000 ] - [ -0.0000122500000000, -0.0001223800000000, 0.0002889700000000 ] - [ 0.0000467400000000, 0.0000311900000000, -0.0001571800000000 ] - [ -0.0003249600000000, -0.0005449300000000, -0.0000536000000000 ] - [ 0.0000013500000000, -0.0000377800000000, 0.0001760000000000 ] - [ 0.0000316700000000, 0.0000447100000000, 0.0000871100000000 ] - [ 0.0001276700000000, 0.0000056500000000, -0.0003325500000000 ] - [ -0.0002078800000000, -0.0001003600000000, -0.0003794000000000 ] - [ 0.0001166900000000, -0.0000598600000000, 0.0000857100000000 ] - [ -0.0001030400000000, -0.0000831100000000, -0.0000103200000000 ] - [ -0.0002260300000000, 0.0000093000000000, 0.0000290000000000 ] - [ -0.0001150200000000, -0.0000389300000000, 0.0000479300000000 ] - [ -0.0042153000000000, 0.0004542800000000, 0.0036066800000000 ] - [ 0.0000321300000000, -0.0000382800000000, -0.0002103400000000 ] - [ 0.0000619900000000, 0.0001213300000000, 0.0001987700000000 ] - [ 0.0000369200000000, -0.0000421900000000, 0.0001437800000000 ] - [ -0.0013552100000000, -0.0009301900000000, -0.0006785400000000 ] - [ -0.0001272900000000, 0.0000517600000000, -0.0000879300000000 ] - [ -0.0001039300000000, -0.0000893600000000, 0.0001627000000000 ] - [ -0.0035988600000000, -0.0020771200000000, -0.0009451900000000 ] - [ 0.0000820700000000, 0.0001908400000000, 0.0002864200000000 ] - [ 0.0000002300000000, -0.0000493300000000, 0.0001317800000000 ] - [ -0.0000487500000000, 0.0000969800000000, -0.0002923200000000 ] - [ -0.0000381400000000, -0.0000935200000000, 0.0002501400000000 ] - [ -0.0000211200000000, 0.0000179700000000, 0.0000790900000000 ] - [ 0.0000304300000000, -0.0000763600000000, 0.0001497700000000 ] - [ 0.0000327100000000, -0.0000023800000000, -0.0000178900000000 ] - [ -0.0001082400000000, 0.0002023500000000, 0.0001300800000000 ] - [ 0.0001945400000000, -0.0000668100000000, 0.0000455600000000 ] - [ -0.0002778400000000, -0.0000333300000000, 0.0000787000000000 ] - [ -0.0000730400000000, 0.0000161900000000, 0.0000512200000000 ] - [ -0.0004513800000000, 0.0002212900000000, -0.0001153300000000 ] - [ -0.0000003900000000, -0.0000397600000000, 0.0003593300000000 ] - [ -0.0000623700000000, 0.0000269400000000, 0.0002780200000000 ] - [ 0.0000472400000000, -0.0000930100000000, -0.0003039700000000 ] - [ 0.0002277700000000, -0.0000566700000000, 0.0004441900000000 ] - [ -0.0507081300000000, -0.0167774000000000, 0.0021236800000000 ] - [ -0.0000487600000000, -0.0000096200000000, -0.0002482400000000 ] - [ -0.0000351700000000, -0.0000462700000000, 0.0001103000000000 ] - [ 0.0005781600000000, -0.0002586200000000, 0.0002997000000000 ] - [ -0.0005353900000000, 0.0011198500000000, -0.0019452200000000 ] - [ -0.0002699200000000, -0.0004526300000000, 0.0001420300000000 ] - [ -0.0001153100000000, 0.0000886500000000, 0.0000768500000000 ] - [ -0.0009345400000000, 0.0010979500000000, 0.0016196700000000 ] - [ 0.0000293100000000, 0.0001349700000000, 0.0000846200000000 ] - [ -0.0001061200000000, -0.0000468400000000, 0.0001382500000000 ] - [ -0.0000529300000000, -0.0001181500000000, -0.0003462900000000 ] - [ 0.0003236500000000, -0.0001817800000000, -0.0002450700000000 ] - [ 0.0000097800000000, -0.0000728700000000, -0.0000475300000000 ] - [ 0.0002737200000000, -0.0000951200000000, 0.0000298700000000 ] - [ 0.0000208200000000, 0.0000274600000000, -0.0000061200000000 ] - [ -0.0033949900000000, 0.0025697900000000, -0.0033338400000000 ] - [ 0.0004893300000000, 0.0000602500000000, 0.0001839000000000 ] - [ -0.0000900600000000, -0.0000319400000000, -0.0000770700000000 ] - [ 0.0001170700000000, -0.0000177300000000, 0.0000696200000000 ] - [ -0.0044047600000000, 0.0028081900000000, 0.0034483900000000 ] - [ 0.0000013900000000, 0.0001462500000000, -0.0001338300000000 ] - [ -0.0000768700000000, -0.0000712500000000, 0.0000651700000000 ] - [ 0.0001783500000000, 0.0000117900000000, 0.0000058200000000 ] - [ -0.0002384400000000, 0.0000573800000000, 0.0001087800000000 ] - [ 0.0010770300000000, 0.0005291000000000, -0.0006296200000000 ] - [ 0.0000107700000000, -0.0000190600000000, -0.0001060900000000 ] - [ 0.0002468600000000, -0.0001111200000000, 0.0000666400000000 ] - [ -0.0002195700000000, -0.0000459500000000, -0.0001014000000000 ] - [ 0.0001605600000000, 0.0000667900000000, 0.0000612900000000 ] - [ -0.0020924700000000, 0.0014595600000000, 0.0017880000000000 ] - [ 0.0001850200000000, -0.0000114200000000, 0.0000327600000000 ] - [ -0.0001457300000000, 0.0000919200000000, 0.0000119900000000 ] - [ 0.0004429900000000, -0.0000399500000000, -0.0001594400000000 ] - [ -0.0000577300000000, -0.0000137200000000, 0.0000415200000000 ] - [ 0.0003530200000000, 0.0001023500000000, -0.0003003100000000 ] - [ 0.0000708100000000, 0.0002202600000000, 0.0001115700000000 ] - [ -0.0001833400000000, 0.0000008600000000, -0.0001509300000000 ] - [ 0.0002425900000000, 0.0002524200000000, 0.0002340700000000 ] - [ -0.0000444100000000, -0.0001777900000000, -0.0000211600000000 ] - [ 0.0000259000000000, 0.0000652500000000, -0.0000379000000000 ] - [ -0.0027153200000000, 0.0015100500000000, -0.0017206600000000 ] - [ 0.0002369600000000, 0.0000765200000000, -0.0000541300000000 ] - [ -0.0003748800000000, -0.0000119300000000, -0.0000383200000000 ] - [ 0.0001071200000000, -0.0000198600000000, 0.0000695200000000 ] - [ -0.0000440100000000, -0.0000863100000000, -0.0000889700000000 ] - [ 0.0011188600000000, 0.0004512800000000, 0.0005200400000000 ] - [ -0.0004987000000000, 0.0001945400000000, 0.0001276800000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002236000000000, 0.0002903400000000, 0.0002716800000000 ] - [ -0.0000938400000000, -0.0000813800000000, -0.0000435300000000 ] - [ -0.0009171200000000, 0.0009927300000000, -0.0000904600000000 ] - [ 0.0002273900000000, 0.0001931200000000, 0.0001109600000000 ] - [ -0.0008600500000000, 0.0004974600000000, -0.0001983000000000 ] - [ 0.0002195400000000, -0.0005890600000000, -0.0000218900000000 ] - [ -0.0007851400000000, 0.0001460000000000, -0.0005978800000000 ] - [ 0.0000311400000000, 0.0001352000000000, -0.0000228800000000 ] - [ 0.0000943000000000, -0.0000122500000000, 0.0000267800000000 ] - [ 0.0000261000000000, -0.0001460400000000, -0.0000046500000000 ] - [ -0.0000506700000000, 0.0000389700000000, 0.0000465400000000 ] - [ -0.0000816600000000, 0.0002747900000000, 0.0000088300000000 ] - [ 0.0000356000000000, -0.0007690400000000, 0.0000605400000000 ] - [ -0.0002419800000000, -0.0000002700000000, -0.0000560800000000 ] - [ 0.0001317700000000, 0.0001801400000000, -0.0000407800000000 ] - [ 0.0000972100000000, -0.0000365200000000, -0.0001116900000000 ] - [ -0.0000199000000000, 0.0003000100000000, -0.0003456100000000 ] - [ -0.0004052900000000, -0.0008505100000000, 0.0000969400000000 ] - [ 0.0000011900000000, 0.0000375500000000, 0.0000200900000000 ] - [ 0.0000143500000000, 0.0001643300000000, -0.0000562000000000 ] - [ 0.0003397500000000, -0.0006468200000000, -0.0000969300000000 ] - [ 0.0000707300000000, -0.0000730700000000, 0.0000598600000000 ] - [ -0.0000319000000000, 0.0002826700000000, 0.0001054600000000 ] - [ -0.0007399000000000, 0.0002196700000000, 0.0005320600000000 ] - [ -0.0111514000000000, -0.0450501100000000, 0.0001977100000000 ] - [ 0.0000340400000000, -0.0000014500000000, -0.0001395100000000 ] - [ -0.0000339800000000, 0.0002647000000000, -0.0000351300000000 ] - [ -0.0000394300000000, -0.0000987300000000, 0.0000078700000000 ] - [ 0.0022949400000000, 0.0035756900000000, 0.0040306100000000 ] - [ -0.0000672500000000, -0.0002737800000000, -0.0001163400000000 ] - [ 0.0001871400000000, 0.0006635200000000, -0.0000131800000000 ] - [ -0.0001307900000000, -0.0000795700000000, 0.0000925900000000 ] - [ 0.0006408300000000, 0.0000676700000000, 0.0006201100000000 ] - [ 0.0000704000000000, 0.0005036000000000, -0.0002384600000000 ] - [ 0.0000632400000000, 0.0000396600000000, -0.0001142500000000 ] - [ 0.0000811800000000, -0.0000298400000000, 0.0000693600000000 ] - [ 0.0002543100000000, -0.0008476700000000, -0.0002189000000000 ] - [ 0.0001432800000000, -0.0000527100000000, 0.0001387600000000 ] - [ -0.0001392800000000, 0.0003479500000000, 0.0002206300000000 ] - [ -0.0001590100000000, -0.0000326400000000, -0.0000115800000000 ] - [ -0.0001693300000000, 0.0000148100000000, -0.0001265800000000 ] - [ -0.0024982900000000, -0.0009110600000000, -0.0022023200000000 ] - [ 0.0000976600000000, -0.0000882500000000, 0.0000843600000000 ] - [ 0.0001303700000000, 0.0003034400000000, 0.0000345600000000 ] - [ 0.0024579400000000, 0.0025703600000000, -0.0036115600000000 ] - [ -0.0004960700000000, 0.0000340300000000, 0.0001342600000000 ] - [ 0.0000010600000000, 0.0000530100000000, 0.0001515800000000 ] - [ -0.0001262500000000, 0.0001775300000000, -0.0004043100000000 ] - [ -0.0004427500000000, 0.0001548400000000, 0.0003668300000000 ] - [ -0.0000467200000000, -0.0000116500000000, 0.0001305600000000 ] - [ -0.0001855500000000, -0.0001563200000000, 0.0004705000000000 ] - [ 0.0003699600000000, 0.0002497300000000, 0.0001076900000000 ] - [ -0.0001714600000000, -0.0003207400000000, -0.0001707200000000 ] - [ 0.0000575900000000, 0.0000145200000000, -0.0002592000000000 ] - [ -0.0000620200000000, 0.0000092800000000, 0.0001988400000000 ] - [ 0.0004321200000000, 0.0000462500000000, -0.0004334400000000 ] - [ -0.0002163700000000, 0.0000294800000000, -0.0001082500000000 ] - [ -0.0015705000000000, -0.0008868100000000, 0.0016101400000000 ] - [ 0.0000087300000000, -0.0001489000000000, -0.0002926000000000 ] - [ 0.0000575900000000, 0.0002146900000000, 0.0001400800000000 ] - [ 0.0001566500000000, 0.0003343200000000, 0.0001118300000000 ] - [ 0.0011754900000000, 0.0005072400000000, -0.0002508000000000 ] - [ -0.0001037800000000, 0.0000292700000000, -0.0000870600000000 ] - [ -0.0001132400000000, -0.0005111300000000, -0.0004956900000000 ] - [ 0.0018822400000000, 0.0000873000000000, -0.0000381800000000 ] - [ -0.0000922800000000, -0.0001455100000000, 0.0000117500000000 ] - [ 0.0000291400000000, 0.0002394100000000, 0.0006617600000000 ] - [ -0.0000551100000000, 0.0000986400000000, -0.0001932500000000 ] - [ 0.0001697700000000, -0.0003353400000000, -0.0003454200000000 ] - [ -0.0000444800000000, 0.0000617800000000, 0.0001422200000000 ] - [ 0.0000823700000000, 0.0001989300000000, 0.0000859500000000 ] - [ -0.0000353300000000, -0.0000518900000000, -0.0000979000000000 ] - [ 0.0001978700000000, -0.0003160000000000, -0.0000861300000000 ] - [ 0.0001711700000000, -0.0000674900000000, 0.0000199600000000 ] - [ -0.0003077100000000, 0.0005116000000000, 0.0000264200000000 ] - [ 0.0001063100000000, 0.0002294300000000, 0.0003453800000000 ] - [ -0.0003938900000000, -0.0000626400000000, -0.0003419300000000 ] - [ -0.0000276700000000, -0.0001874100000000, 0.0002076100000000 ] - [ -0.0001203600000000, 0.0003755700000000, 0.0000644800000000 ] - [ 0.0000153200000000, 0.0000064600000000, -0.0001877300000000 ] - [ 0.0002886800000000, 0.0000584700000000, 0.0004955500000000 ] - [ 0.0186495900000000, 0.0098696800000000, -0.0014081700000000 ] - [ -0.0000161800000000, 0.0000507000000000, -0.0001563500000000 ] - [ -0.0000851700000000, -0.0004374000000000, 0.0003570100000000 ] - [ 0.0010127400000000, -0.0000719600000000, 0.0005466400000000 ] - [ -0.0006631300000000, 0.0028565100000000, 0.0003811400000000 ] - [ 0.0002270200000000, 0.0000289000000000, 0.0001749400000000 ] - [ -0.0001585000000000, -0.0000721100000000, 0.0001770100000000 ] - [ -0.0008242700000000, 0.0027266600000000, -0.0003564000000000 ] - [ 0.0000555800000000, 0.0001460500000000, 0.0001481600000000 ] - [ 0.0000291400000000, -0.0004969800000000, -0.0000924500000000 ] - [ 0.0002910200000000, 0.0002485700000000, -0.0003809200000000 ] - [ 0.0003362200000000, 0.0000363400000000, -0.0001878200000000 ] - [ -0.0000258500000000, 0.0001649200000000, 0.0000769900000000 ] - [ 0.0010770300000000, -0.0002963800000000, 0.0000238300000000 ] - [ 0.0000654200000000, -0.0003192300000000, -0.0003225100000000 ] - [ -0.0029496900000000, 0.0059155700000000, -0.0056391300000000 ] - [ -0.0005815300000000, 0.0000223800000000, -0.0001997300000000 ] - [ 0.0000666200000000, -0.0003533300000000, -0.0000039500000000 ] - [ -0.0000002700000000, -0.0000101400000000, 0.0002016500000000 ] - [ -0.0038305500000000, 0.0067421300000000, 0.0064007100000000 ] - [ -0.0001063800000000, 0.0000840600000000, 0.0000631200000000 ] - [ 0.0001064100000000, -0.0006117800000000, 0.0001548500000000 ] - [ 0.0000718600000000, 0.0000313900000000, -0.0000930800000000 ] - [ -0.0001056100000000, -0.0000485600000000, 0.0001758100000000 ] - [ 0.0001683000000000, 0.0003575000000000, 0.0000796600000000 ] - [ 0.0000647700000000, 0.0002061200000000, -0.0002629500000000 ] - [ -0.0000053600000000, -0.0002973400000000, 0.0000447800000000 ] - [ 0.0000257900000000, -0.0001374100000000, -0.0001094400000000 ] - [ -0.0000235800000000, 0.0001770900000000, -0.0000006200000000 ] - [ -0.0011531600000000, 0.0062528900000000, 0.0049694100000000 ] - [ 0.0000715100000000, -0.0002708600000000, -0.0000066800000000 ] - [ 0.0000064100000000, 0.0001728400000000, 0.0000393300000000 ] - [ -0.0006064800000000, 0.0000292900000000, 0.0002996200000000 ] - [ 0.0000597900000000, -0.0001987600000000, -0.0000160700000000 ] - [ -0.0000614900000000, -0.0001640800000000, 0.0000564000000000 ] - [ -0.0001741900000000, 0.0002044600000000, -0.0000577300000000 ] - [ -0.0000272500000000, 0.0000121300000000, -0.0001055100000000 ] - [ -0.0000536900000000, -0.0001035900000000, -0.0001128400000000 ] - [ 0.0001186200000000, -0.0006255400000000, -0.0001473000000000 ] - [ -0.0000859600000000, -0.0000589100000000, -0.0000167000000000 ] - [ -0.0009118300000000, 0.0071494500000000, -0.0047290200000000 ] - [ 0.0000625200000000, 0.0002696800000000, 0.0000631600000000 ] - [ 0.0001854800000000, -0.0007686100000000, -0.0001262600000000 ] - [ -0.0001497700000000, -0.0001325100000000, 0.0000667200000000 ] - [ -0.0000432000000000, 0.0001117500000000, 0.0001120400000000 ] - [ 0.0002977100000000, 0.0003496600000000, -0.0002910700000000 ] - [ 0.0000984100000000, -0.0006947800000000, 0.0001973700000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000200100000000, -0.0002909100000000, -0.0002234600000000 ] - [ -0.0001500200000000, 0.0000753700000000, -0.0000097100000000 ] - [ 0.0011657400000000, -0.0009945800000000, 0.0000375200000000 ] - [ 0.0000162500000000, -0.0001994800000000, -0.0000576500000000 ] - [ 0.0007976500000000, -0.0005641600000000, 0.0001681000000000 ] - [ -0.0002725100000000, 0.0006520600000000, 0.0000512400000000 ] - [ 0.0008452600000000, -0.0002102500000000, 0.0006283700000000 ] - [ 0.0000238600000000, -0.0000694500000000, -0.0000053800000000 ] - [ 0.0000211800000000, -0.0000135400000000, -0.0000623300000000 ] - [ 0.0000888700000000, 0.0001702900000000, 0.0000397700000000 ] - [ -0.0000623900000000, -0.0000622300000000, -0.0000128000000000 ] - [ -0.0000337600000000, -0.0002502000000000, -0.0000439400000000 ] - [ -0.0003278100000000, 0.0009180700000000, 0.0000105000000000 ] - [ -0.0000520300000000, -0.0001483600000000, -0.0000105700000000 ] - [ 0.0001616700000000, -0.0000327800000000, -0.0000248200000000 ] - [ 0.0001953000000000, -0.0001099900000000, 0.0001756700000000 ] - [ 0.0000254600000000, -0.0003173400000000, 0.0003065600000000 ] - [ 0.0004085900000000, 0.0008606600000000, -0.0000533900000000 ] - [ -0.0000066300000000, -0.0000493700000000, 0.0000238200000000 ] - [ -0.0000193900000000, -0.0001524900000000, 0.0000120800000000 ] - [ -0.0001704300000000, 0.0007312500000000, -0.0000700300000000 ] - [ 0.0000979600000000, -0.0000155500000000, 0.0001047000000000 ] - [ -0.0001363200000000, -0.0001938800000000, 0.0000587600000000 ] - [ 0.0005762600000000, -0.0003069500000000, -0.0006986600000000 ] - [ 0.0111118000000000, 0.0454541100000000, -0.0001249900000000 ] - [ 0.0000233500000000, -0.0001131100000000, 0.0000857500000000 ] - [ -0.0000237700000000, -0.0001513800000000, -0.0000185200000000 ] - [ -0.0000179000000000, -0.0000147200000000, 0.0000464600000000 ] - [ -0.0023254700000000, -0.0031286700000000, -0.0039702100000000 ] - [ 0.0000206900000000, -0.0001377700000000, 0.0001077300000000 ] - [ -0.0001411700000000, -0.0002534000000000, 0.0000037600000000 ] - [ 0.0001782200000000, -0.0003319900000000, -0.0000841000000000 ] - [ -0.0007600900000000, -0.0000932500000000, -0.0004598800000000 ] - [ -0.0002278100000000, -0.0004843900000000, 0.0000653000000000 ] - [ 0.0000941400000000, -0.0000596300000000, -0.0000613900000000 ] - [ 0.0000760700000000, 0.0000496100000000, 0.0001058500000000 ] - [ 0.0000312400000000, 0.0009648700000000, -0.0001197000000000 ] - [ 0.0001409000000000, -0.0000632700000000, 0.0001931100000000 ] - [ -0.0001447400000000, -0.0002333300000000, 0.0001105000000000 ] - [ -0.0001260500000000, -0.0000811500000000, -0.0003181800000000 ] - [ -0.0001049900000000, -0.0001046500000000, 0.0001228900000000 ] - [ 0.0021991600000000, 0.0010130100000000, 0.0021852200000000 ] - [ 0.0001771800000000, 0.0000005600000000, -0.0000794500000000 ] - [ 0.0001441700000000, -0.0002155000000000, -0.0000390300000000 ] - [ -0.0024547100000000, -0.0026161100000000, 0.0031572000000000 ] - [ 0.0004842600000000, 0.0000429900000000, 0.0002686900000000 ] - [ 0.0000127500000000, -0.0001317300000000, 0.0002520200000000 ] - [ 0.0001407800000000, -0.0000992300000000, 0.0000023500000000 ] - [ 0.0003137400000000, -0.0001094600000000, -0.0006787800000000 ] - [ -0.0000780100000000, -0.0000374800000000, 0.0001834900000000 ] - [ 0.0003107500000000, 0.0002046000000000, -0.0001576200000000 ] - [ -0.0002486000000000, -0.0003011700000000, -0.0004221500000000 ] - [ 0.0003271900000000, 0.0002011700000000, 0.0001425900000000 ] - [ 0.0000984600000000, 0.0001037600000000, 0.0002864100000000 ] - [ -0.0000949500000000, -0.0001274200000000, -0.0001688800000000 ] - [ -0.0005955500000000, 0.0000702400000000, 0.0004098600000000 ] - [ 0.0001043500000000, -0.0002447400000000, 0.0004497200000000 ] - [ 0.0014359600000000, 0.0011078600000000, -0.0019345300000000 ] - [ 0.0001033800000000, -0.0000647300000000, -0.0000508700000000 ] - [ 0.0000544200000000, -0.0000005600000000, 0.0002034900000000 ] - [ 0.0000466300000000, -0.0002156000000000, 0.0001134900000000 ] - [ -0.0009673300000000, -0.0006170500000000, 0.0000299900000000 ] - [ -0.0000985100000000, 0.0000888100000000, -0.0001384900000000 ] - [ -0.0000923700000000, 0.0003826900000000, 0.0007117300000000 ] - [ -0.0018742000000000, -0.0002441700000000, -0.0003917700000000 ] - [ 0.0001538300000000, 0.0002985200000000, 0.0003968800000000 ] - [ -0.0000879800000000, -0.0003863200000000, -0.0002468300000000 ] - [ -0.0000070400000000, 0.0000547300000000, -0.0002165100000000 ] - [ -0.0002399100000000, 0.0002986600000000, 0.0001256300000000 ] - [ -0.0000228300000000, -0.0000257200000000, 0.0000820700000000 ] - [ -0.0000146000000000, -0.0002360300000000, 0.0001385000000000 ] - [ 0.0001026700000000, 0.0000879000000000, -0.0001263500000000 ] - [ 0.0001243600000000, 0.0004045900000000, 0.0000331200000000 ] - [ 0.0001514400000000, -0.0000200200000000, 0.0000324400000000 ] - [ -0.0000133800000000, -0.0004248900000000, 0.0000260000000000 ] - [ -0.0004287700000000, -0.0003159800000000, -0.0003987300000000 ] - [ 0.0003407000000000, 0.0001981800000000, -0.0001971400000000 ] - [ -0.0000272300000000, 0.0000504900000000, 0.0003315800000000 ] - [ 0.0001766100000000, -0.0002401700000000, 0.0004749800000000 ] - [ 0.0000396700000000, -0.0001426200000000, -0.0003509900000000 ] - [ -0.0001507000000000, 0.0001235200000000, -0.0000747000000000 ] - [ -0.0182488100000000, -0.0101244200000000, 0.0009730100000000 ] - [ -0.0001230800000000, 0.0001275200000000, -0.0002643600000000 ] - [ -0.0000547300000000, 0.0002578600000000, 0.0000626200000000 ] - [ -0.0006805500000000, -0.0000812100000000, -0.0002329800000000 ] - [ 0.0009906100000000, -0.0026828600000000, -0.0007053300000000 ] - [ -0.0005598300000000, -0.0001908700000000, -0.0004851400000000 ] - [ -0.0001710300000000, 0.0002298400000000, 0.0001343200000000 ] - [ 0.0008804800000000, -0.0029758900000000, 0.0002137800000000 ] - [ 0.0000001600000000, 0.0001166900000000, 0.0000106800000000 ] - [ -0.0000853700000000, 0.0002340200000000, 0.0002532600000000 ] - [ -0.0003493500000000, 0.0000106000000000, 0.0002196200000000 ] - [ -0.0003515500000000, -0.0000066100000000, 0.0001713600000000 ] - [ 0.0000116200000000, -0.0001943200000000, -0.0000591900000000 ] - [ -0.0010706700000000, 0.0003226500000000, -0.0000053500000000 ] - [ -0.0000517600000000, 0.0002900000000000, 0.0003046900000000 ] - [ 0.0028940900000000, -0.0059561000000000, 0.0056506100000000 ] - [ 0.0006008400000000, 0.0000664400000000, 0.0000599000000000 ] - [ -0.0000854200000000, 0.0002648900000000, -0.0001364700000000 ] - [ -0.0000192400000000, 0.0000982100000000, -0.0000624300000000 ] - [ 0.0036207500000000, -0.0067979200000000, -0.0062186500000000 ] - [ -0.0000151200000000, 0.0000209400000000, -0.0001033500000000 ] - [ 0.0000151600000000, 0.0005088900000000, -0.0001953900000000 ] - [ 0.0000495900000000, 0.0000730100000000, 0.0001328000000000 ] - [ -0.0001107300000000, 0.0001706300000000, -0.0000330400000000 ] - [ -0.0003800400000000, -0.0004774700000000, -0.0002195200000000 ] - [ 0.0001526300000000, -0.0000863400000000, 0.0001199800000000 ] - [ 0.0002224300000000, 0.0001757200000000, 0.0000990800000000 ] - [ -0.0001137900000000, 0.0000920100000000, 0.0001145400000000 ] - [ -0.0000646700000000, -0.0001317700000000, -0.0000040800000000 ] - [ 0.0012633400000000, -0.0064802800000000, -0.0051913700000000 ] - [ 0.0000177200000000, 0.0003170400000000, 0.0000119000000000 ] - [ -0.0000441800000000, -0.0001534600000000, -0.0001696300000000 ] - [ 0.0005690600000000, -0.0000473100000000, -0.0001694200000000 ] - [ -0.0000223700000000, 0.0002182100000000, 0.0001454500000000 ] - [ 0.0000981900000000, 0.0001445200000000, -0.0001816000000000 ] - [ 0.0000654600000000, 0.0000423400000000, 0.0000959400000000 ] - [ -0.0000816800000000, -0.0002572500000000, 0.0000685600000000 ] - [ 0.0001597100000000, 0.0003512100000000, 0.0000707100000000 ] - [ -0.0000102800000000, 0.0003820400000000, 0.0001867300000000 ] - [ -0.0000055600000000, 0.0002303300000000, -0.0000418400000000 ] - [ 0.0008317100000000, -0.0075251800000000, 0.0050126900000000 ] - [ 0.0000292700000000, -0.0000994400000000, -0.0000058200000000 ] - [ -0.0000939300000000, 0.0005979800000000, 0.0000679000000000 ] - [ 0.0001899000000000, 0.0001508100000000, 0.0001147900000000 ] - [ 0.0000841300000000, -0.0001312700000000, -0.0002942100000000 ] - [ -0.0003365000000000, -0.0003317000000000, 0.0001059900000000 ] - [ -0.0001396200000000, 0.0006775900000000, -0.0000151000000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000335300000000, 0.0007181600000000, 0.0004832600000000 ] - [ -0.0001630600000000, 0.0000094700000000, 0.0002581000000000 ] - [ 0.0001021200000000, -0.0000432600000000, -0.0007033600000000 ] - [ 0.0002362000000000, 0.0000736800000000, 0.0001288600000000 ] - [ -0.0000826900000000, -0.0001050400000000, -0.0006590400000000 ] - [ -0.0003804300000000, -0.0002161900000000, 0.0003596500000000 ] - [ 0.0006965300000000, -0.0002155400000000, 0.0005151400000000 ] - [ -0.0000072100000000, 0.0000315200000000, 0.0001503800000000 ] - [ 0.0000116100000000, 0.0000810700000000, -0.0000187900000000 ] - [ 0.0000460800000000, 0.0000378200000000, 0.0004916900000000 ] - [ -0.0001122100000000, -0.0000878900000000, -0.0003923600000000 ] - [ -0.0000785100000000, 0.0000063000000000, 0.0000818000000000 ] - [ -0.0002378200000000, 0.0000231500000000, 0.0014867800000000 ] - [ -0.0001155800000000, -0.0001030600000000, -0.0003510000000000 ] - [ 0.0001571900000000, 0.0000548900000000, 0.0001476400000000 ] - [ 0.0002670800000000, -0.0003104100000000, 0.0002586200000000 ] - [ -0.0000497100000000, -0.0005764600000000, 0.0004423000000000 ] - [ 0.0001251500000000, 0.0000821800000000, -0.0010960300000000 ] - [ 0.0000115100000000, -0.0000036400000000, 0.0003364500000000 ] - [ -0.0000296700000000, -0.0000418500000000, -0.0000182300000000 ] - [ 0.0002904400000000, 0.0002297500000000, 0.0000659800000000 ] - [ 0.0000518700000000, -0.0000315700000000, 0.0003678700000000 ] - [ -0.0001331500000000, 0.0000500500000000, -0.0001102600000000 ] - [ -0.0005993400000000, 0.0002182900000000, 0.0004299800000000 ] - [ 0.0008633400000000, 0.0002653500000000, -0.0431457700000000 ] - [ -0.0000258100000000, -0.0001674200000000, 0.0000774200000000 ] - [ -0.0000313800000000, 0.0000632100000000, -0.0000178100000000 ] - [ -0.0000042100000000, -0.0000355800000000, 0.0003563100000000 ] - [ 0.0013764800000000, 0.0039747200000000, 0.0017857900000000 ] - [ -0.0000101400000000, -0.0002049300000000, 0.0002242400000000 ] - [ -0.0001201400000000, -0.0001086800000000, -0.0001856200000000 ] - [ -0.0000781800000000, -0.0001429100000000, 0.0003093800000000 ] - [ 0.0004679300000000, -0.0004082200000000, -0.0007455800000000 ] - [ -0.0001854600000000, -0.0003779400000000, 0.0000739900000000 ] - [ 0.0000895700000000, 0.0000153700000000, -0.0002636300000000 ] - [ 0.0000597400000000, 0.0000157100000000, 0.0003486400000000 ] - [ 0.0002784900000000, 0.0001596300000000, 0.0013963400000000 ] - [ 0.0002187500000000, -0.0001029400000000, 0.0003823900000000 ] - [ -0.0000576100000000, -0.0000016600000000, -0.0000731200000000 ] - [ -0.0002894100000000, 0.0002095400000000, 0.0000854600000000 ] - [ -0.0000991800000000, -0.0001510000000000, 0.0001967500000000 ] - [ 0.0046921000000000, -0.0010712600000000, 0.0020541200000000 ] - [ 0.0000874100000000, 0.0001011000000000, 0.0003365800000000 ] - [ 0.0000770300000000, -0.0000042200000000, -0.0000915300000000 ] - [ -0.0017751000000000, -0.0037942700000000, 0.0014772200000000 ] - [ 0.0007519900000000, -0.0004145100000000, -0.0000464100000000 ] - [ -0.0000289800000000, -0.0001082000000000, 0.0003355800000000 ] - [ 0.0000989400000000, -0.0000891100000000, 0.0001550300000000 ] - [ -0.0003537100000000, -0.0003971200000000, 0.0000696300000000 ] - [ -0.0001419900000000, -0.0002337600000000, 0.0002517000000000 ] - [ 0.0000595600000000, -0.0000111500000000, 0.0000605400000000 ] - [ 0.0003570400000000, 0.0001293300000000, -0.0000495100000000 ] - [ 0.0002949200000000, 0.0001793400000000, 0.0003089400000000 ] - [ 0.0001855100000000, 0.0003763600000000, 0.0001758400000000 ] - [ -0.0000325900000000, 0.0000239900000000, 0.0002596700000000 ] - [ -0.0006628200000000, 0.0000245700000000, 0.0001354300000000 ] - [ -0.0000462400000000, -0.0001725400000000, -0.0000247400000000 ] - [ -0.0045759200000000, 0.0009194600000000, 0.0022439700000000 ] - [ 0.0001139900000000, -0.0002269600000000, 0.0001810800000000 ] - [ 0.0000519300000000, 0.0001085800000000, 0.0002648100000000 ] - [ 0.0000310100000000, -0.0000902300000000, 0.0001245500000000 ] - [ 0.0003844500000000, 0.0006560200000000, -0.0007090100000000 ] - [ -0.0001140400000000, 0.0000140000000000, 0.0001162500000000 ] - [ -0.0001141000000000, -0.0004025400000000, -0.0004195500000000 ] - [ 0.0005283200000000, 0.0002764500000000, -0.0001932200000000 ] - [ 0.0000976100000000, 0.0002255700000000, 0.0004640600000000 ] - [ -0.0000176300000000, 0.0001099400000000, 0.0006239900000000 ] - [ -0.0000644200000000, 0.0001348500000000, -0.0003445500000000 ] - [ -0.0000500900000000, -0.0000906100000000, 0.0004056900000000 ] - [ 0.0000374000000000, 0.0001628800000000, 0.0001057300000000 ] - [ -0.0000145900000000, -0.0001996700000000, -0.0001843700000000 ] - [ 0.0002126500000000, 0.0000150700000000, -0.0001536200000000 ] - [ 0.0001179100000000, 0.0001289200000000, 0.0001227400000000 ] - [ 0.0002631700000000, 0.0000090400000000, 0.0003112600000000 ] - [ -0.0001097800000000, -0.0000049200000000, -0.0001424000000000 ] - [ 0.0001738500000000, 0.0005499000000000, 0.0003289600000000 ] - [ -0.0006646300000000, 0.0003059900000000, -0.0005965100000000 ] - [ -0.0000702600000000, -0.0001125200000000, 0.0006858400000000 ] - [ 0.0000169400000000, 0.0000358100000000, 0.0000629900000000 ] - [ 0.0000436900000000, -0.0000581500000000, -0.0000528200000000 ] - [ -0.0001366600000000, 0.0004039800000000, -0.0000005300000000 ] - [ -0.0006414400000000, -0.0005423700000000, 0.0050548900000000 ] - [ -0.0000832800000000, 0.0000692400000000, -0.0010084700000000 ] - [ -0.0000208200000000, 0.0000015700000000, 0.0001016100000000 ] - [ 0.0002263500000000, 0.0000860400000000, 0.0007162900000000 ] - [ 0.0009248200000000, 0.0009306600000000, -0.0021623300000000 ] - [ -0.0004772300000000, 0.0000418300000000, -0.0005904200000000 ] - [ -0.0001433600000000, 0.0000814500000000, -0.0001248400000000 ] - [ -0.0010925400000000, -0.0010108800000000, -0.0015939100000000 ] - [ 0.0000216900000000, 0.0002076300000000, -0.0002450900000000 ] - [ -0.0000457300000000, -0.0000068900000000, 0.0005055200000000 ] - [ 0.0002073300000000, 0.0000099600000000, -0.0005915800000000 ] - [ 0.0003794700000000, -0.0001445700000000, -0.0000565600000000 ] - [ 0.0000370400000000, -0.0001139100000000, -0.0004889000000000 ] - [ 0.0000231000000000, 0.0001352400000000, 0.0003383100000000 ] - [ 0.0000335000000000, -0.0001321100000000, -0.0004989500000000 ] - [ 0.0033939300000000, -0.0052057000000000, 0.0083408000000000 ] - [ 0.0005371400000000, 0.0003535200000000, 0.0002840800000000 ] - [ 0.0000750300000000, -0.0000149900000000, -0.0003014400000000 ] - [ 0.0000025600000000, 0.0000958600000000, -0.0001781000000000 ] - [ -0.0046113200000000, 0.0058967200000000, 0.0087435300000000 ] - [ -0.0000562300000000, 0.0002328500000000, -0.0003531100000000 ] - [ -0.0000041400000000, 0.0001412300000000, 0.0001909400000000 ] - [ 0.0000914700000000, -0.0000620500000000, -0.0002686000000000 ] - [ -0.0000600800000000, 0.0001694000000000, -0.0001891200000000 ] - [ -0.0006763200000000, -0.0003540100000000, 0.0004490800000000 ] - [ 0.0000451800000000, -0.0002876000000000, -0.0006584200000000 ] - [ 0.0001708500000000, -0.0000299700000000, 0.0002627800000000 ] - [ -0.0000571000000000, -0.0000438000000000, -0.0002698600000000 ] - [ -0.0000686400000000, 0.0001255500000000, -0.0004154800000000 ] - [ -0.0014779200000000, 0.0046423000000000, 0.0068231000000000 ] - [ 0.0000336800000000, 0.0001143800000000, 0.0001412400000000 ] - [ -0.0002549600000000, 0.0001748400000000, -0.0006278900000000 ] - [ -0.0004089200000000, -0.0003106000000000, 0.0005185300000000 ] - [ 0.0000005000000000, -0.0001104700000000, -0.0001815300000000 ] - [ 0.0000588900000000, 0.0001018200000000, 0.0002112000000000 ] - [ -0.0000136800000000, 0.0000177100000000, -0.0003420400000000 ] - [ 0.0000958100000000, -0.0003303700000000, -0.0007150900000000 ] - [ -0.0001085100000000, 0.0001176900000000, 0.0002418600000000 ] - [ 0.0001319400000000, -0.0002216300000000, 0.0002710100000000 ] - [ -0.0000934400000000, 0.0000930200000000, -0.0002029000000000 ] - [ 0.0009599700000000, -0.0056995700000000, 0.0068275200000000 ] - [ 0.0000747300000000, 0.0000251000000000, -0.0004252400000000 ] - [ 0.0001850000000000, -0.0005944400000000, 0.0003456000000000 ] - [ -0.0000692500000000, 0.0000037200000000, -0.0000553300000000 ] - [ 0.0000998400000000, 0.0002901900000000, -0.0007421000000000 ] - [ 0.0008231400000000, 0.0001913000000000, 0.0005124600000000 ] - [ -0.0002976000000000, 0.0005720500000000, 0.0002929600000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0002047300000000, -0.0007152600000000, -0.0004319700000000 ] - [ -0.0000782900000000, -0.0000134700000000, -0.0003102000000000 ] - [ 0.0001399100000000, 0.0000493300000000, 0.0006514800000000 ] - [ 0.0000045800000000, -0.0000784800000000, -0.0000773100000000 ] - [ 0.0000340400000000, 0.0000337400000000, 0.0006312400000000 ] - [ 0.0003236900000000, 0.0002838900000000, -0.0003275000000000 ] - [ -0.0006430700000000, 0.0001497900000000, -0.0004888600000000 ] - [ 0.0000601100000000, 0.0000375400000000, -0.0001784000000000 ] - [ 0.0001013800000000, -0.0001073100000000, -0.0000173800000000 ] - [ 0.0000669200000000, -0.0000117800000000, -0.0004552200000000 ] - [ -0.0000007300000000, 0.0000647900000000, 0.0004296900000000 ] - [ -0.0000337100000000, 0.0000185700000000, -0.0001186400000000 ] - [ -0.0000572000000000, 0.0001250100000000, -0.0014374800000000 ] - [ -0.0001812400000000, -0.0000458200000000, 0.0002856100000000 ] - [ 0.0001391900000000, 0.0000935300000000, -0.0002131300000000 ] - [ 0.0000286400000000, 0.0001621700000000, -0.0001933400000000 ] - [ 0.0000646300000000, 0.0005593100000000, -0.0004853200000000 ] - [ -0.0001047800000000, -0.0000636200000000, 0.0011397200000000 ] - [ -0.0000232100000000, -0.0000131500000000, -0.0002931700000000 ] - [ 0.0000177300000000, 0.0000584100000000, -0.0000251400000000 ] - [ -0.0001220600000000, -0.0001410400000000, -0.0002346300000000 ] - [ 0.0001200400000000, -0.0000590500000000, -0.0002028300000000 ] - [ -0.0000389600000000, 0.0000392800000000, 0.0002753000000000 ] - [ 0.0004290700000000, -0.0003061900000000, -0.0005942500000000 ] - [ -0.0004141900000000, -0.0000538600000000, 0.0431871100000000 ] - [ 0.0000752300000000, 0.0000557500000000, -0.0001321000000000 ] - [ -0.0000179800000000, 0.0000485500000000, -0.0000363700000000 ] - [ -0.0000452900000000, -0.0000762700000000, -0.0003021300000000 ] - [ -0.0014244900000000, -0.0035493600000000, -0.0017896900000000 ] - [ -0.0000359700000000, -0.0002066500000000, -0.0002301100000000 ] - [ 0.0001651900000000, 0.0005179300000000, 0.0001787900000000 ] - [ 0.0001245800000000, -0.0002690200000000, -0.0003038100000000 ] - [ -0.0006612400000000, 0.0003855800000000, 0.0009189500000000 ] - [ 0.0000262500000000, 0.0003931100000000, -0.0002497500000000 ] - [ 0.0000686800000000, -0.0000329900000000, 0.0000876300000000 ] - [ 0.0000984300000000, 0.0000012500000000, -0.0001725300000000 ] - [ 0.0000041000000000, -0.0000444800000000, -0.0017119100000000 ] - [ 0.0000618200000000, -0.0000122600000000, -0.0000502600000000 ] - [ -0.0002224900000000, 0.0001161300000000, 0.0004051200000000 ] - [ 0.0000088000000000, -0.0003241000000000, -0.0004174300000000 ] - [ -0.0001763100000000, 0.0000586800000000, -0.0001966600000000 ] - [ -0.0049518100000000, 0.0011500300000000, -0.0020692500000000 ] - [ 0.0001883800000000, -0.0001928800000000, -0.0003361800000000 ] - [ 0.0001982200000000, 0.0000950800000000, 0.0000915700000000 ] - [ 0.0017615900000000, 0.0037387100000000, -0.0018687600000000 ] - [ -0.0007711600000000, 0.0004962400000000, 0.0004464700000000 ] - [ 0.0000421500000000, 0.0000304200000000, 0.0000647400000000 ] - [ -0.0000852400000000, 0.0001671900000000, -0.0005553700000000 ] - [ 0.0002260400000000, 0.0004509300000000, -0.0003809700000000 ] - [ 0.0000143800000000, 0.0001801500000000, 0.0000594500000000 ] - [ 0.0000677800000000, 0.0000637200000000, 0.0002501700000000 ] - [ -0.0002290000000000, -0.0001846300000000, -0.0002617100000000 ] - [ -0.0001399700000000, -0.0002949200000000, -0.0003366200000000 ] - [ -0.0000304500000000, -0.0002639900000000, -0.0001507100000000 ] - [ -0.0001242500000000, -0.0001397700000000, -0.0002321500000000 ] - [ 0.0005055000000000, 0.0000906700000000, -0.0001626900000000 ] - [ -0.0000663000000000, -0.0000438400000000, 0.0003653500000000 ] - [ 0.0044819600000000, -0.0007188500000000, -0.0025786000000000 ] - [ -0.0000007800000000, 0.0000106400000000, -0.0005221100000000 ] - [ 0.0000611800000000, 0.0001076900000000, 0.0000757100000000 ] - [ 0.0001718400000000, 0.0002093800000000, 0.0000987900000000 ] - [ -0.0002038600000000, -0.0007904400000000, 0.0004816000000000 ] - [ -0.0000893100000000, 0.0001053900000000, -0.0003397200000000 ] - [ -0.0000906200000000, 0.0002785600000000, 0.0006376800000000 ] - [ -0.0004297900000000, -0.0004119900000000, -0.0001721300000000 ] - [ -0.0000361500000000, -0.0000720500000000, -0.0000576200000000 ] - [ -0.0000424100000000, -0.0002595800000000, -0.0002157700000000 ] - [ 0.0000030500000000, 0.0000180300000000, -0.0000610000000000 ] - [ -0.0000124700000000, 0.0000559600000000, -0.0006348100000000 ] - [ -0.0001041500000000, -0.0001247800000000, 0.0001211000000000 ] - [ 0.0000821800000000, 0.0001620700000000, 0.0004128000000000 ] - [ -0.0001456800000000, 0.0000237400000000, -0.0000723800000000 ] - [ 0.0002046100000000, -0.0000462600000000, -0.0001730700000000 ] - [ 0.0000603200000000, -0.0000924500000000, -0.0002617200000000 ] - [ -0.0002137100000000, 0.0000879900000000, 0.0001926200000000 ] - [ -0.0005000200000000, -0.0006365500000000, -0.0003813700000000 ] - [ 0.0006025200000000, -0.0001702500000000, 0.0000559300000000 ] - [ 0.0000153200000000, -0.0000212100000000, -0.0001444700000000 ] - [ 0.0000378100000000, 0.0000988800000000, 0.0004771200000000 ] - [ 0.0000113300000000, -0.0000762500000000, -0.0004880300000000 ] - [ 0.0002720200000000, -0.0002298100000000, 0.0004226900000000 ] - [ 0.0006426900000000, 0.0003210500000000, -0.0054616700000000 ] - [ -0.0000534000000000, 0.0001062200000000, 0.0005897800000000 ] - [ -0.0001159300000000, -0.0001764600000000, 0.0003159400000000 ] - [ 0.0000987100000000, -0.0002473500000000, -0.0004016600000000 ] - [ -0.0006045900000000, -0.0007745300000000, 0.0018336700000000 ] - [ 0.0001492900000000, -0.0002031500000000, 0.0002753000000000 ] - [ -0.0001836300000000, 0.0000783300000000, 0.0004418900000000 ] - [ 0.0011416500000000, 0.0007470000000000, 0.0014553200000000 ] - [ 0.0000323600000000, 0.0000544600000000, 0.0004010800000000 ] - [ -0.0000101300000000, -0.0002542900000000, -0.0003484000000000 ] - [ -0.0002623600000000, 0.0002516900000000, 0.0004350000000000 ] - [ -0.0003965400000000, 0.0001756300000000, 0.0000311800000000 ] - [ -0.0000547300000000, 0.0000797700000000, 0.0005106100000000 ] - [ -0.0000068600000000, -0.0001038600000000, -0.0003171300000000 ] - [ -0.0000157300000000, 0.0001014800000000, 0.0004801500000000 ] - [ -0.0035250800000000, 0.0052960100000000, -0.0083698400000000 ] - [ -0.0005143600000000, -0.0002654000000000, -0.0004231700000000 ] - [ -0.0000941900000000, -0.0000724300000000, 0.0001607000000000 ] - [ -0.0000220500000000, -0.0000088300000000, 0.0003192000000000 ] - [ 0.0043226200000000, -0.0058240000000000, -0.0085460600000000 ] - [ -0.0000668000000000, -0.0001264600000000, 0.0003167000000000 ] - [ 0.0001264700000000, -0.0002472000000000, -0.0002262400000000 ] - [ 0.0000323700000000, 0.0001678100000000, 0.0003048500000000 ] - [ -0.0001531700000000, -0.0000496500000000, 0.0003341600000000 ] - [ 0.0004689600000000, 0.0002368300000000, -0.0005989700000000 ] - [ 0.0001686400000000, 0.0004089000000000, 0.0005149900000000 ] - [ 0.0000433700000000, -0.0000900500000000, -0.0001183700000000 ] - [ -0.0000256300000000, -0.0000049500000000, 0.0002740900000000 ] - [ -0.0000142700000000, -0.0000775000000000, 0.0004128400000000 ] - [ 0.0015848400000000, -0.0048942300000000, -0.0069687200000000 ] - [ 0.0000500800000000, -0.0000654600000000, -0.0001365300000000 ] - [ 0.0002178700000000, -0.0001559700000000, 0.0005000700000000 ] - [ 0.0003748000000000, 0.0002917000000000, -0.0003904700000000 ] - [ 0.0000372700000000, 0.0001307100000000, 0.0003108200000000 ] - [ -0.0000182400000000, -0.0001226600000000, -0.0003434800000000 ] - [ -0.0000965500000000, 0.0002281900000000, 0.0003780600000000 ] - [ -0.0002034400000000, 0.0000841500000000, 0.0006792000000000 ] - [ 0.0002205800000000, 0.0001221000000000, -0.0002767300000000 ] - [ -0.0000230700000000, -0.0000227400000000, -0.0002365000000000 ] - [ -0.0000020300000000, 0.0000832500000000, 0.0001465500000000 ] - [ -0.0010438600000000, 0.0053208300000000, -0.0066403600000000 ] - [ 0.0000220900000000, 0.0001499200000000, 0.0004814200000000 ] - [ -0.0000898400000000, 0.0004201900000000, -0.0004015100000000 ] - [ 0.0001054800000000, 0.0000201400000000, 0.0002356400000000 ] - [ -0.0000633300000000, -0.0003112200000000, 0.0005611700000000 ] - [ -0.0008588400000000, -0.0001638600000000, -0.0006914800000000 ] - [ 0.0002604300000000, -0.0005932700000000, -0.0001127800000000 ]- atom: 29 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0010914400000000, -0.0002017500000000, -0.0002869300000000 ] - [ -0.0002388900000000, 0.0000316900000000, 0.0001751900000000 ] - [ 0.0000050700000000, -0.0002268600000000, -0.0001751500000000 ] - [ 0.0001298800000000, -0.0000287100000000, 0.0000334000000000 ] - [ 0.0005209500000000, -0.0000588000000000, 0.0001362400000000 ] - [ -0.0001075100000000, 0.0001205900000000, -0.0000830700000000 ] - [ -0.0000544100000000, -0.0001148700000000, 0.0001083300000000 ] - [ 0.0000520900000000, 0.0000109100000000, -0.0000378100000000 ] - [ 0.0006513600000000, 0.0003658500000000, 0.0005529700000000 ] - [ 0.0000256100000000, 0.0000019700000000, -0.0000498100000000 ] - [ 0.0000347200000000, -0.0003766900000000, -0.0001198800000000 ] - [ -0.0000465200000000, -0.0000095100000000, -0.0000058900000000 ] - [ -0.0002222400000000, 0.0001625300000000, 0.0000785500000000 ] - [ 0.0003086900000000, 0.0001168500000000, -0.0004881000000000 ] - [ 0.0001503300000000, 0.0000635800000000, -0.0000583700000000 ] - [ 0.0001881600000000, -0.0003413500000000, 0.0001220000000000 ] - [ 0.0000560700000000, 0.0000443400000000, 0.0000076800000000 ] - [ 0.0032317200000000, -0.0013403700000000, -0.0033088000000000 ] - [ -0.0000970200000000, -0.0000407300000000, -0.0000031400000000 ] - [ 0.0000366900000000, -0.0000168700000000, -0.0000427700000000 ] - [ 0.0029293800000000, -0.0022041900000000, 0.0039359500000000 ] - [ 0.0001301700000000, -0.0000235100000000, 0.0000442400000000 ] - [ -0.0000415100000000, 0.0000093000000000, 0.0001073700000000 ] - [ -0.0001341100000000, -0.0000960500000000, -0.0000778700000000 ] - [ 0.0000666000000000, 0.0023674100000000, 0.0014318300000000 ] - [ 0.0000461000000000, -0.0000130600000000, -0.0000399300000000 ] - [ -0.0000107600000000, -0.0001057300000000, -0.0001682300000000 ] - [ -0.0000480200000000, -0.0002113600000000, 0.0001278800000000 ] - [ -0.0418015500000000, 0.0114512500000000, -0.0098582900000000 ] - [ -0.0000075500000000, -0.0002000300000000, -0.0000194600000000 ] - [ 0.0000564400000000, 0.0001367000000000, 0.0000041800000000 ] - [ 0.0000040600000000, -0.0003429300000000, 0.0000093500000000 ] - [ 0.0001589900000000, 0.0001818600000000, 0.0004055400000000 ] - [ -0.0001403700000000, 0.0000178900000000, 0.0000213100000000 ] - [ 0.0000467600000000, -0.0000357800000000, -0.0000562500000000 ] - [ 0.0001484800000000, 0.0000085400000000, 0.0000490300000000 ] - [ -0.0000987800000000, 0.0025137700000000, -0.0021603900000000 ] - [ 0.0001983700000000, -0.0000136500000000, 0.0002341800000000 ] - [ -0.0001423500000000, -0.0001115800000000, 0.0003026600000000 ] - [ -0.0002272100000000, -0.0001599500000000, -0.0002457200000000 ] - [ -0.0001107000000000, -0.0000146100000000, 0.0000021000000000 ] - [ -0.0000963900000000, -0.0027120500000000, -0.0001847500000000 ] - [ 0.0001286200000000, -0.0000803000000000, -0.0000008100000000 ] - [ 0.0003103400000000, -0.0000871900000000, -0.0000140400000000 ] - [ -0.0004881500000000, 0.0001860100000000, -0.0001650700000000 ] - [ 0.0002417200000000, 0.0002627600000000, 0.0001661700000000 ] - [ 0.0000375100000000, -0.0000579400000000, 0.0001665900000000 ] - [ 0.0000177100000000, -0.0000653300000000, -0.0001862300000000 ] - [ 0.0004015800000000, 0.0005706500000000, -0.0004155100000000 ] - [ -0.0001656100000000, 0.0000244500000000, 0.0001447900000000 ] - [ -0.0000222100000000, -0.0000104100000000, -0.0000699100000000 ] - [ 0.0000751200000000, 0.0000098700000000, -0.0001756100000000 ] - [ 0.0001668400000000, -0.0000375400000000, -0.0000494300000000 ] - [ -0.0003738400000000, -0.0003788000000000, 0.0002516700000000 ] - [ -0.0000842200000000, -0.0000652500000000, -0.0001401500000000 ] - [ 0.0000922100000000, 0.0001462900000000, 0.0000352000000000 ] - [ 0.0001875500000000, -0.0001924900000000, 0.0003567800000000 ] - [ -0.0002082700000000, -0.0001688700000000, -0.0008290200000000 ] - [ 0.0000162800000000, -0.0002423000000000, -0.0000708400000000 ] - [ 0.0000577300000000, 0.0001059400000000, 0.0001344400000000 ] - [ 0.0000687500000000, 0.0000521300000000, 0.0001950500000000 ] - [ 0.0001655700000000, -0.0000456900000000, -0.0001455700000000 ] - [ 0.0000030000000000, 0.0000766600000000, -0.0001001100000000 ] - [ 0.0007588900000000, 0.0001075300000000, 0.0004399700000000 ] - [ 0.0002989500000000, -0.0000148500000000, -0.0000933100000000 ] - [ 0.0000323200000000, 0.0001547000000000, -0.0000415600000000 ] - [ -0.0005573800000000, 0.0000688400000000, 0.0000848300000000 ] - [ -0.0000038700000000, 0.0000847800000000, -0.0001746600000000 ] - [ 0.0000265100000000, -0.0001060300000000, -0.0003374700000000 ] - [ -0.0000562500000000, -0.0000060300000000, 0.0001440200000000 ] - [ -0.0000160000000000, 0.0002653400000000, 0.0005243200000000 ] - [ 0.0000481300000000, 0.0000252100000000, -0.0001025600000000 ] - [ 0.0011870200000000, 0.0003326900000000, -0.0000708900000000 ] - [ 0.0000105100000000, 0.0000131200000000, 0.0000266400000000 ] - [ -0.0002051600000000, -0.0001919200000000, 0.0001262400000000 ] - [ -0.0001216100000000, -0.0000594800000000, -0.0000043600000000 ] - [ 0.0011473500000000, -0.0004137700000000, -0.0003740600000000 ] - [ -0.0000836000000000, -0.0000411500000000, 0.0002749700000000 ] - [ 0.0000150900000000, -0.0000842100000000, 0.0003386900000000 ] - [ 0.0000475300000000, -0.0000764000000000, -0.0002775600000000 ] - [ 0.0000324600000000, -0.0000961400000000, 0.0002402400000000 ] - [ 0.0043377200000000, -0.0020546900000000, 0.0003067100000000 ] - [ -0.0000614600000000, 0.0002586100000000, -0.0003120500000000 ] - [ -0.0001550300000000, 0.0000157700000000, 0.0002775000000000 ] - [ -0.0006126600000000, -0.0000544800000000, 0.0000386900000000 ] - [ 0.0005105600000000, -0.0003048200000000, -0.0000381900000000 ] - [ -0.0000857400000000, 0.0001705200000000, -0.0003047500000000 ] - [ -0.0001750400000000, 0.0000884300000000, 0.0002166600000000 ] - [ 0.0114123000000000, -0.0137894700000000, 0.0099645500000000 ] - [ -0.0000387300000000, 0.0001192600000000, 0.0000624800000000 ] - [ -0.0001029400000000, -0.0000165300000000, 0.0000508000000000 ] - [ 0.0000427400000000, 0.0002340100000000, -0.0000260600000000 ] - [ -0.0012259600000000, -0.0002639100000000, -0.0000328600000000 ] - [ 0.0002166900000000, -0.0000473400000000, 0.0000104300000000 ] - [ -0.0000317100000000, 0.0005165400000000, 0.0001419500000000 ] - [ -0.0000120500000000, 0.0000077600000000, -0.0000162900000000 ] - [ -0.0001184400000000, -0.0000520800000000, -0.0001902700000000 ] - [ 0.0004157500000000, -0.0005609600000000, 0.0002920300000000 ] - [ -0.0000099300000000, 0.0000454400000000, -0.0000589500000000 ] - [ -0.0000974300000000, 0.0001036800000000, 0.0000633400000000 ] - [ 0.0060518800000000, 0.0030237300000000, -0.0008755100000000 ] - [ -0.0000165000000000, -0.0000351900000000, -0.0000391800000000 ] - [ 0.0000557800000000, 0.0001059100000000, -0.0000554500000000 ] - [ 0.0000230000000000, 0.0000856200000000, 0.0000249400000000 ] - [ -0.0001282200000000, 0.0000420900000000, 0.0000734100000000 ] - [ -0.0012686200000000, 0.0004107900000000, -0.0000004100000000 ] - [ 0.0001171900000000, 0.0000570700000000, -0.0000625300000000 ] - [ 0.0001294000000000, -0.0002214800000000, 0.0000870000000000 ] - [ -0.0000056400000000, 0.0000372100000000, 0.0002494900000000 ] - [ -0.0005182700000000, 0.0007423000000000, -0.0007073300000000 ] - [ 0.0002033500000000, -0.0001346600000000, -0.0000856900000000 ] - [ 0.0000777500000000, -0.0000391800000000, 0.0000204100000000 ] - [ -0.0000486000000000, 0.0000154400000000, -0.0000514400000000 ] - [ 0.0109656200000000, 0.0034276000000000, 0.0009641400000000 ] - [ -0.0000183200000000, 0.0000328300000000, 0.0000655800000000 ] - [ -0.0001107500000000, 0.0000753000000000, -0.0001050500000000 ] - [ 0.0001409500000000, -0.0007512600000000, -0.0006422000000000 ] - [ -0.0003244900000000, -0.0000255900000000, 0.0003775700000000 ] - [ 0.0000041200000000, 0.0001865700000000, 0.0000061100000000 ] - [ 0.0000463100000000, -0.0000214500000000, 0.0000183700000000 ] - [ -0.0000130000000000, 0.0000542300000000, -0.0000292000000000 ] - [ 0.0005774300000000, -0.0001704300000000, -0.0000722400000000 ] - [ -0.0000135700000000, 0.0001013200000000, 0.0000199800000000 ] - [ 0.0000167200000000, -0.0001319500000000, -0.0003850600000000 ] - [ 0.0001459700000000, -0.0000607600000000, 0.0000836500000000 ] - [ 0.0001692400000000, -0.0002154000000000, 0.0001313300000000 ] - [ -0.0001994200000000, 0.0004541700000000, 0.0004453400000000 ] - [ -0.0000993600000000, -0.0000294700000000, -0.0001330000000000 ]- atom: 29 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0013450400000000, 0.0002055600000000, 0.0003402000000000 ] - [ -0.0000053800000000, -0.0000383800000000, -0.0002283000000000 ] - [ 0.0002378800000000, 0.0002349100000000, 0.0001229400000000 ] - [ 0.0001137500000000, 0.0000228600000000, 0.0000199500000000 ] - [ -0.0005705200000000, -0.0000110300000000, -0.0001643800000000 ] - [ 0.0000535600000000, -0.0000555900000000, 0.0001116400000000 ] - [ 0.0001082800000000, 0.0000503000000000, -0.0000799100000000 ] - [ 0.0000023400000000, 0.0000559700000000, 0.0000096000000000 ] - [ -0.0005378800000000, -0.0003888300000000, -0.0005812800000000 ] - [ 0.0000890100000000, 0.0000220200000000, 0.0000836100000000 ] - [ -0.0001518500000000, 0.0003554700000000, 0.0001570500000000 ] - [ -0.0000687500000000, 0.0000346100000000, -0.0000294300000000 ] - [ -0.0000714000000000, -0.0000163000000000, -0.0000126900000000 ] - [ -0.0006002400000000, -0.0002660900000000, 0.0004158500000000 ] - [ 0.0001433600000000, 0.0000845700000000, -0.0000070100000000 ] - [ 0.0001043000000000, 0.0001945000000000, -0.0000567300000000 ] - [ -0.0000507800000000, -0.0000569500000000, -0.0000509500000000 ] - [ -0.0031946400000000, 0.0013488700000000, 0.0033332700000000 ] - [ 0.0000909400000000, 0.0000298200000000, 0.0000456200000000 ] - [ -0.0000419100000000, 0.0000305300000000, -0.0000006500000000 ] - [ -0.0027322100000000, 0.0022897200000000, -0.0040630000000000 ] - [ 0.0000382200000000, -0.0000652700000000, 0.0001198800000000 ] - [ -0.0001271500000000, 0.0000797700000000, 0.0000568500000000 ] - [ -0.0000344900000000, 0.0000086900000000, -0.0000866300000000 ] - [ -0.0000016700000000, -0.0022530700000000, -0.0013686300000000 ] - [ 0.0000113000000000, -0.0001010600000000, -0.0000147100000000 ] - [ -0.0000463100000000, 0.0002225100000000, 0.0001165100000000 ] - [ -0.0000098600000000, 0.0000975800000000, -0.0000743000000000 ] - [ 0.0417458000000000, -0.0110075800000000, 0.0098032400000000 ] - [ -0.0000389500000000, -0.0002114300000000, 0.0000103100000000 ] - [ -0.0000096500000000, 0.0002761100000000, -0.0000131100000000 ] - [ 0.0000423700000000, -0.0000680800000000, -0.0000010100000000 ] - [ -0.0003145400000000, -0.0002020700000000, -0.0002327600000000 ] - [ -0.0000171800000000, 0.0000025500000000, -0.0001966400000000 ] - [ 0.0001090100000000, 0.0000157000000000, -0.0001165300000000 ] - [ 0.0000095900000000, 0.0000111300000000, 0.0001258300000000 ] - [ 0.0003950400000000, -0.0023849800000000, 0.0018090400000000 ] - [ 0.0000855000000000, -0.0001021500000000, 0.0000979800000000 ] - [ -0.0001413800000000, 0.0002295700000000, 0.0000258700000000 ] - [ -0.0000570400000000, 0.0000448000000000, -0.0000859300000000 ] - [ -0.0001641300000000, -0.0000742800000000, -0.0000065100000000 ] - [ -0.0001891500000000, 0.0027949400000000, 0.0001931500000000 ] - [ 0.0001459400000000, -0.0000082500000000, 0.0000048100000000 ] - [ -0.0000393300000000, 0.0001788100000000, 0.0000099800000000 ] - [ 0.0004770500000000, -0.0002669700000000, -0.0002382400000000 ] - [ -0.0002552300000000, -0.0001852900000000, 0.0002365700000000 ] - [ -0.0000238600000000, -0.0000195900000000, 0.0002373300000000 ] - [ -0.0000047800000000, 0.0001445400000000, -0.0002173500000000 ] - [ -0.0005304300000000, -0.0005243300000000, 0.0001083000000000 ] - [ 0.0000407700000000, -0.0000732500000000, 0.0001696600000000 ] - [ 0.0001477500000000, 0.0000581800000000, 0.0003869000000000 ] - [ 0.0000496400000000, -0.0000593800000000, -0.0001379400000000 ] - [ -0.0000104700000000, -0.0000808700000000, 0.0000200000000000 ] - [ 0.0005439300000000, 0.0004937800000000, -0.0002056200000000 ] - [ -0.0000739400000000, -0.0000537400000000, 0.0001686900000000 ] - [ -0.0002481000000000, -0.0000270000000000, -0.0000628700000000 ] - [ -0.0002983000000000, -0.0000216300000000, -0.0000148800000000 ] - [ 0.0000943000000000, 0.0003862700000000, 0.0004944800000000 ] - [ 0.0000946400000000, 0.0000290000000000, -0.0002743100000000 ] - [ 0.0000544500000000, 0.0001093600000000, 0.0002097600000000 ] - [ 0.0001329400000000, 0.0000655400000000, 0.0000294700000000 ] - [ 0.0000380900000000, -0.0000723400000000, -0.0000791600000000 ] - [ -0.0002048200000000, 0.0000412000000000, -0.0001257800000000 ] - [ -0.0009827400000000, -0.0002294900000000, -0.0002089100000000 ] - [ -0.0002384200000000, -0.0001384500000000, -0.0003170100000000 ] - [ 0.0000298300000000, -0.0000005800000000, 0.0004524100000000 ] - [ 0.0005063700000000, -0.0002199200000000, 0.0003176000000000 ] - [ -0.0000586000000000, 0.0000696900000000, -0.0002355600000000 ] - [ -0.0000930800000000, 0.0000710500000000, 0.0001133900000000 ] - [ -0.0000115400000000, 0.0000420600000000, 0.0000800000000000 ] - [ 0.0000866200000000, -0.0002999200000000, -0.0003089200000000 ] - [ 0.0000191400000000, 0.0000111200000000, -0.0001214500000000 ] - [ -0.0008698000000000, -0.0002500400000000, 0.0000188600000000 ] - [ 0.0003118100000000, -0.0001006600000000, 0.0000255700000000 ] - [ -0.0001170200000000, 0.0002822900000000, -0.0000749100000000 ] - [ -0.0002013300000000, -0.0000269800000000, -0.0000486600000000 ] - [ -0.0012120600000000, 0.0005512000000000, -0.0001690700000000 ] - [ 0.0000279600000000, -0.0000953400000000, 0.0002636600000000 ] - [ 0.0000397000000000, 0.0002218800000000, 0.0002004700000000 ] - [ 0.0000072800000000, -0.0000594400000000, -0.0002615400000000 ] - [ 0.0001067300000000, 0.0002768900000000, 0.0001812900000000 ] - [ -0.0042160600000000, 0.0018324100000000, -0.0008007700000000 ] - [ -0.0000774300000000, -0.0000797700000000, -0.0001063800000000 ] - [ 0.0000149000000000, -0.0001986400000000, 0.0001410900000000 ] - [ 0.0009348500000000, -0.0001001200000000, 0.0002751500000000 ] - [ -0.0001833300000000, 0.0004684500000000, -0.0002747900000000 ] - [ -0.0002439000000000, -0.0003297300000000, -0.0000061000000000 ] - [ -0.0001547600000000, 0.0000682200000000, 0.0000938000000000 ] - [ -0.0114503500000000, 0.0134592400000000, -0.0100633800000000 ] - [ 0.0000940300000000, 0.0001439100000000, 0.0000974000000000 ] - [ 0.0000460400000000, -0.0002493200000000, 0.0001092400000000 ] - [ -0.0000988300000000, 0.0000284200000000, -0.0001337300000000 ] - [ 0.0012148500000000, 0.0003012300000000, 0.0000149800000000 ] - [ -0.0002299300000000, 0.0000187700000000, 0.0000084900000000 ] - [ 0.0000452200000000, -0.0004919600000000, -0.0001249300000000 ] - [ 0.0000263100000000, -0.0000373000000000, -0.0000020500000000 ] - [ 0.0001361000000000, -0.0000339400000000, 0.0003281900000000 ] - [ -0.0003943500000000, 0.0006524400000000, -0.0004324800000000 ] - [ -0.0000110000000000, -0.0001340400000000, -0.0000809700000000 ] - [ 0.0000775600000000, -0.0000164500000000, 0.0000769800000000 ] - [ -0.0065351000000000, -0.0032730000000000, 0.0009472600000000 ] - [ -0.0001047200000000, 0.0001401100000000, -0.0000003900000000 ] - [ 0.0000650900000000, -0.0002134000000000, 0.0000155700000000 ] - [ 0.0000985100000000, 0.0000190200000000, 0.0000150500000000 ] - [ -0.0000887400000000, 0.0000796600000000, 0.0000703100000000 ] - [ 0.0010607500000000, -0.0005317900000000, -0.0001426100000000 ] - [ 0.0000995300000000, 0.0000642600000000, -0.0000806300000000 ] - [ 0.0000874100000000, 0.0000970300000000, 0.0000561900000000 ] - [ -0.0000844700000000, -0.0000837900000000, -0.0002473100000000 ] - [ 0.0004311900000000, -0.0006957900000000, 0.0007045000000000 ] - [ -0.0001143100000000, 0.0000863000000000, 0.0000773300000000 ] - [ 0.0000107000000000, 0.0000844200000000, -0.0000136900000000 ] - [ 0.0000109900000000, 0.0000042200000000, -0.0000776600000000 ] - [ -0.0105788700000000, -0.0032281900000000, -0.0008198400000000 ] - [ 0.0000548500000000, -0.0000140400000000, 0.0000640200000000 ] - [ 0.0001485800000000, -0.0000958700000000, -0.0000242800000000 ] - [ -0.0002459200000000, 0.0009984900000000, 0.0006805700000000 ] - [ 0.0002124300000000, -0.0002149000000000, -0.0004133100000000 ] - [ 0.0001042600000000, 0.0000581400000000, -0.0000447400000000 ] - [ 0.0000621600000000, -0.0002253700000000, 0.0000199700000000 ] - [ -0.0000783100000000, 0.0001163800000000, -0.0000290100000000 ] - [ -0.0006726600000000, -0.0000074500000000, 0.0001284600000000 ] - [ 0.0001050600000000, 0.0000697400000000, 0.0000385300000000 ] - [ 0.0000934900000000, -0.0000410300000000, 0.0003260400000000 ] - [ -0.0001041400000000, 0.0000775600000000, 0.0000966700000000 ] - [ -0.0001268400000000, 0.0001920300000000, -0.0003074600000000 ] - [ 0.0001609900000000, -0.0004364600000000, -0.0006296000000000 ] - [ 0.0000588900000000, 0.0000125900000000, 0.0003159900000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0016090300000000, -0.0005016900000000, 0.0000580200000000 ] - [ -0.0000449700000000, -0.0001513900000000, -0.0000300200000000 ] - [ 0.0000313100000000, 0.0006040900000000, 0.0001358600000000 ] - [ 0.0001853000000000, 0.0001452500000000, 0.0000643700000000 ] - [ -0.0008105200000000, -0.0004075900000000, -0.0000081400000000 ] - [ 0.0000217500000000, -0.0002447100000000, 0.0001643000000000 ] - [ -0.0000629500000000, 0.0003927400000000, -0.0002656300000000 ] - [ 0.0000259600000000, 0.0001745600000000, 0.0000482100000000 ] - [ 0.0001162200000000, -0.0001199500000000, 0.0002065900000000 ] - [ -0.0000217100000000, -0.0001989000000000, -0.0000592600000000 ] - [ -0.0002355600000000, 0.0006099300000000, 0.0002361400000000 ] - [ -0.0000893100000000, 0.0001438600000000, -0.0000150500000000 ] - [ -0.0001068300000000, -0.0001928900000000, 0.0002650300000000 ] - [ -0.0001557300000000, -0.0001313300000000, -0.0004173300000000 ] - [ 0.0000950600000000, 0.0001789500000000, 0.0000549900000000 ] - [ 0.0000417600000000, 0.0001799000000000, -0.0002038600000000 ] - [ -0.0000089000000000, -0.0001860500000000, 0.0000176500000000 ] - [ -0.0012842400000000, -0.0005099200000000, 0.0013734200000000 ] - [ -0.0001083900000000, 0.0001964000000000, -0.0000693600000000 ] - [ 0.0000486200000000, 0.0002179100000000, -0.0000260600000000 ] - [ 0.0000556900000000, -0.0007347000000000, -0.0010651200000000 ] - [ 0.0000439500000000, -0.0001925400000000, 0.0001316000000000 ] - [ -0.0001034700000000, 0.0002797500000000, 0.0000064300000000 ] - [ -0.0002010900000000, 0.0001083400000000, 0.0000798500000000 ] - [ 0.0020404500000000, 0.0034019000000000, 0.0037705000000000 ] - [ 0.0000019100000000, -0.0001253300000000, -0.0000253500000000 ] - [ -0.0001308300000000, 0.0005175100000000, 0.0002888200000000 ] - [ -0.0000245200000000, 0.0000703100000000, -0.0000357100000000 ] - [ 0.0109043400000000, -0.0657079700000000, 0.0258370600000000 ] - [ -0.0000288200000000, -0.0002889300000000, 0.0000133800000000 ] - [ 0.0000931800000000, 0.0006249100000000, -0.0001678900000000 ] - [ -0.0001144100000000, -0.0000931300000000, 0.0000862000000000 ] - [ -0.0002403100000000, 0.0003023600000000, 0.0003607700000000 ] - [ -0.0000777200000000, -0.0000649200000000, -0.0001287900000000 ] - [ 0.0001681300000000, 0.0001992600000000, -0.0006215200000000 ] - [ 0.0001178200000000, 0.0000292100000000, 0.0000457700000000 ] - [ 0.0009387500000000, 0.0006685200000000, -0.0025855400000000 ] - [ 0.0002177000000000, -0.0001551900000000, 0.0002662700000000 ] - [ -0.0001164800000000, 0.0004516300000000, -0.0001759400000000 ] - [ -0.0000802400000000, 0.0001003000000000, 0.0000342700000000 ] - [ -0.0001185200000000, -0.0001193300000000, 0.0000290300000000 ] - [ -0.0024036000000000, 0.0049597700000000, -0.0001955200000000 ] - [ 0.0001207200000000, 0.0000384400000000, 0.0000506800000000 ] - [ -0.0002481700000000, 0.0004072100000000, -0.0000311700000000 ] - [ 0.0002226500000000, -0.0010182700000000, -0.0006992800000000 ] - [ -0.0002430500000000, -0.0003784800000000, 0.0000359400000000 ] - [ 0.0000171900000000, 0.0002488000000000, 0.0002232900000000 ] - [ -0.0000928100000000, 0.0004252200000000, -0.0002408200000000 ] - [ -0.0001300300000000, 0.0001879300000000, -0.0001360300000000 ] - [ 0.0000091300000000, 0.0000160100000000, 0.0003950800000000 ] - [ -0.0000576400000000, -0.0000178700000000, 0.0003028100000000 ] - [ 0.0001361300000000, -0.0000181200000000, -0.0000091500000000 ] - [ 0.0000688800000000, -0.0000463600000000, 0.0001696700000000 ] - [ 0.0007774500000000, 0.0022473600000000, -0.0023459600000000 ] - [ 0.0000263600000000, 0.0002129300000000, 0.0008384900000000 ] - [ 0.0001013100000000, 0.0001622500000000, -0.0000608900000000 ] - [ -0.0001738500000000, -0.0000032800000000, -0.0002323700000000 ] - [ -0.0004109500000000, 0.0006378100000000, 0.0014593900000000 ] - [ -0.0000171700000000, 0.0000882600000000, -0.0003609800000000 ] - [ 0.0000304000000000, 0.0002355200000000, 0.0002462500000000 ] - [ 0.0002278600000000, 0.0003441400000000, -0.0000913500000000 ] - [ 0.0004441800000000, -0.0001424100000000, 0.0001613600000000 ] - [ -0.0000580700000000, 0.0000396600000000, -0.0001281100000000 ] - [ -0.0001450600000000, -0.0006014700000000, -0.0026815700000000 ] - [ 0.0004384000000000, 0.0001951700000000, -0.0004132200000000 ] - [ -0.0001280800000000, -0.0002987500000000, 0.0007378800000000 ] - [ 0.0002255300000000, 0.0005404800000000, 0.0028763400000000 ] - [ -0.0000257000000000, 0.0000684100000000, -0.0001750600000000 ] - [ -0.0000387600000000, -0.0001466000000000, -0.0002745100000000 ] - [ -0.0000024100000000, 0.0001242000000000, -0.0001460800000000 ] - [ 0.0000813000000000, -0.0000347800000000, -0.0002880200000000 ] - [ 0.0000469300000000, 0.0000043800000000, -0.0001643200000000 ] - [ -0.0003521200000000, -0.0005936100000000, -0.0000044300000000 ] - [ 0.0002098700000000, -0.0003167400000000, 0.0000713100000000 ] - [ -0.0001472200000000, 0.0004271900000000, -0.0000535500000000 ] - [ -0.0001289900000000, 0.0001214300000000, 0.0000665400000000 ] - [ 0.0005155000000000, -0.0007804500000000, -0.0005895500000000 ] - [ -0.0000333900000000, -0.0001937500000000, 0.0003920400000000 ] - [ -0.0000713200000000, 0.0005238600000000, -0.0000518300000000 ] - [ 0.0000127600000000, 0.0000297100000000, -0.0002096500000000 ] - [ 0.0000655300000000, 0.0004096500000000, 0.0002928400000000 ] - [ -0.0010196600000000, 0.0067796400000000, -0.0014164500000000 ] - [ 0.0000589000000000, -0.0002426600000000, -0.0001590500000000 ] - [ 0.0000873300000000, -0.0005845100000000, 0.0001568100000000 ] - [ 0.0007698400000000, 0.0001094100000000, 0.0004529700000000 ] - [ -0.0001391200000000, 0.0012526800000000, -0.0006409200000000 ] - [ -0.0000241300000000, -0.0005309500000000, 0.0002911800000000 ] - [ -0.0001632500000000, -0.0001473400000000, 0.0000809300000000 ] - [ -0.0147916900000000, 0.0409030000000000, -0.0257802400000000 ] - [ -0.0000362700000000, 0.0002447200000000, -0.0000221500000000 ] - [ 0.0000936000000000, -0.0005592800000000, 0.0001513300000000 ] - [ 0.0000292700000000, -0.0000224500000000, -0.0003121500000000 ] - [ 0.0007675900000000, 0.0010227100000000, 0.0003392800000000 ] - [ -0.0000411600000000, 0.0003190200000000, -0.0001852300000000 ] - [ 0.0003508200000000, -0.0009443700000000, -0.0000659900000000 ] - [ -0.0000028100000000, -0.0001832700000000, -0.0001162400000000 ] - [ -0.0003337300000000, 0.0008766100000000, -0.0003577700000000 ] - [ -0.0000693600000000, 0.0005167700000000, -0.0002370100000000 ] - [ 0.0002981400000000, -0.0007554000000000, -0.0002037400000000 ] - [ 0.0000029300000000, -0.0001540300000000, 0.0001592400000000 ] - [ 0.0036976800000000, 0.0039955100000000, 0.0001098000000000 ] - [ -0.0001134800000000, 0.0001879900000000, -0.0001116500000000 ] - [ 0.0001117600000000, -0.0005530700000000, 0.0001979200000000 ] - [ 0.0000571700000000, -0.0000484700000000, -0.0000468700000000 ] - [ -0.0000353300000000, 0.0000840100000000, -0.0000238700000000 ] - [ 0.0010316200000000, 0.0003202000000000, 0.0002749400000000 ] - [ 0.0000976100000000, 0.0000256800000000, -0.0001482600000000 ] - [ 0.0000113100000000, -0.0003045200000000, 0.0002537800000000 ] - [ 0.0002719000000000, 0.0000241600000000, -0.0004293600000000 ] - [ 0.0000552000000000, -0.0000449100000000, 0.0002818100000000 ] - [ 0.0001741400000000, -0.0006715000000000, -0.0006936000000000 ] - [ 0.0000782600000000, -0.0001415000000000, 0.0000605700000000 ] - [ -0.0000143200000000, 0.0001451500000000, -0.0001338900000000 ] - [ 0.0028185100000000, 0.0024450100000000, 0.0008257400000000 ] - [ 0.0001645000000000, -0.0001711100000000, -0.0000406100000000 ] - [ 0.0000460900000000, -0.0003286800000000, 0.0000583100000000 ] - [ -0.0003393700000000, 0.0008918900000000, -0.0001243600000000 ] - [ -0.0001587000000000, 0.0005398600000000, 0.0001802500000000 ] - [ 0.0000316500000000, -0.0001706500000000, -0.0001512500000000 ] - [ 0.0000651000000000, -0.0004181700000000, 0.0000120900000000 ] - [ -0.0001650200000000, 0.0000530400000000, -0.0001262400000000 ] - [ -0.0009798600000000, -0.0012271800000000, 0.0005452500000000 ] - [ 0.0000581000000000, 0.0001597700000000, -0.0000479100000000 ] - [ -0.0005596200000000, 0.0004040300000000, 0.0007170700000000 ] - [ -0.0005445200000000, -0.0002464300000000, -0.0001135100000000 ] - [ 0.0001038300000000, -0.0004771200000000, 0.0004120400000000 ] - [ 0.0001207700000000, -0.0000319100000000, -0.0005458500000000 ] - [ -0.0001652200000000, 0.0000826400000000, 0.0002624400000000 ]- atom: 29 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0013625200000000, 0.0005011900000000, -0.0000071000000000 ] - [ -0.0001985000000000, 0.0001449300000000, -0.0000222300000000 ] - [ 0.0002109900000000, -0.0005980000000000, -0.0001917300000000 ] - [ 0.0000582000000000, -0.0001508600000000, -0.0000105400000000 ] - [ 0.0007551500000000, 0.0003386800000000, -0.0000174400000000 ] - [ -0.0000795300000000, 0.0003125300000000, -0.0001304100000000 ] - [ 0.0001172000000000, -0.0004575300000000, 0.0002942600000000 ] - [ 0.0000285400000000, -0.0001074200000000, -0.0000757300000000 ] - [ -0.0000023600000000, 0.0000920900000000, -0.0002439300000000 ] - [ 0.0001367300000000, 0.0002236400000000, 0.0000961100000000 ] - [ 0.0001232900000000, -0.0006335300000000, -0.0002049500000000 ] - [ -0.0000259100000000, -0.0001194900000000, -0.0000194500000000 ] - [ -0.0001850800000000, 0.0003435000000000, -0.0001956400000000 ] - [ -0.0001414100000000, -0.0000184700000000, 0.0003515900000000 ] - [ 0.0001974900000000, -0.0000307700000000, -0.0001196100000000 ] - [ 0.0002524200000000, -0.0003272500000000, 0.0002706800000000 ] - [ 0.0000156800000000, 0.0001729500000000, -0.0000603300000000 ] - [ 0.0012746800000000, 0.0005417900000000, -0.0013157400000000 ] - [ 0.0001028600000000, -0.0002071800000000, 0.0001144000000000 ] - [ -0.0000531700000000, -0.0002048800000000, -0.0000181300000000 ] - [ 0.0001268100000000, 0.0008301300000000, 0.0009018400000000 ] - [ 0.0001242600000000, 0.0001040400000000, 0.0000344800000000 ] - [ -0.0000653600000000, -0.0001909300000000, 0.0001569200000000 ] - [ 0.0000323000000000, -0.0001948900000000, -0.0002433700000000 ] - [ -0.0020221400000000, -0.0033025300000000, -0.0037536100000000 ] - [ 0.0000549800000000, 0.0000106000000000, -0.0000270600000000 ] - [ 0.0000723800000000, -0.0003995600000000, -0.0003380000000000 ] - [ -0.0000324600000000, -0.0001822500000000, 0.0000905900000000 ] - [ -0.0115686400000000, 0.0673403100000000, -0.0267202100000000 ] - [ -0.0000176200000000, -0.0001226000000000, -0.0000206700000000 ] - [ -0.0000464800000000, -0.0002111400000000, 0.0001567500000000 ] - [ 0.0001604200000000, -0.0003192100000000, -0.0000755300000000 ] - [ 0.0000840400000000, -0.0003187100000000, -0.0001820200000000 ] - [ -0.0000804600000000, 0.0000813200000000, -0.0000449200000000 ] - [ -0.0000095700000000, -0.0002174400000000, 0.0004371500000000 ] - [ 0.0000387100000000, -0.0000087200000000, 0.0001298100000000 ] - [ -0.0006833200000000, -0.0005771100000000, 0.0022925100000000 ] - [ 0.0000672300000000, 0.0000385000000000, 0.0000667600000000 ] - [ -0.0001655500000000, -0.0003341600000000, 0.0005009100000000 ] - [ -0.0002028700000000, -0.0002137900000000, -0.0003638000000000 ] - [ -0.0001561600000000, 0.0000297700000000, -0.0000315300000000 ] - [ 0.0021798600000000, -0.0049735600000000, 0.0001921100000000 ] - [ 0.0001539800000000, -0.0001257900000000, -0.0000447800000000 ] - [ 0.0005163800000000, -0.0003157000000000, 0.0000258400000000 ] - [ -0.0002381400000000, 0.0009492200000000, 0.0003187900000000 ] - [ 0.0002262600000000, 0.0004541500000000, 0.0003659400000000 ] - [ -0.0000038700000000, -0.0003253100000000, 0.0001808200000000 ] - [ 0.0001059000000000, -0.0003448200000000, -0.0001613300000000 ] - [ 0.0000076500000000, -0.0001365000000000, -0.0001801900000000 ] - [ -0.0001333400000000, -0.0000646900000000, -0.0000788000000000 ] - [ 0.0001854300000000, 0.0000719400000000, 0.0000026000000000 ] - [ -0.0000104900000000, -0.0000314300000000, -0.0003031500000000 ] - [ 0.0000867000000000, -0.0000718300000000, -0.0001980200000000 ] - [ -0.0006143500000000, -0.0021000600000000, 0.0023560400000000 ] - [ -0.0001823000000000, -0.0003279700000000, -0.0007999600000000 ] - [ -0.0002577900000000, -0.0000437000000000, 0.0000324200000000 ] - [ 0.0000617900000000, -0.0002108500000000, 0.0005743600000000 ] - [ 0.0002980200000000, -0.0004177600000000, -0.0017961800000000 ] - [ 0.0001296700000000, -0.0003023500000000, 0.0000184800000000 ] - [ 0.0000813700000000, -0.0000206600000000, 0.0000979400000000 ] - [ -0.0000228000000000, -0.0002210200000000, 0.0003142800000000 ] - [ -0.0002408700000000, 0.0000259900000000, -0.0003870300000000 ] - [ -0.0001447600000000, 0.0000781500000000, -0.0000973800000000 ] - [ -0.0000664000000000, 0.0004831900000000, 0.0028576200000000 ] - [ -0.0003766300000000, -0.0003495600000000, 0.0000025200000000 ] - [ 0.0001869400000000, 0.0004461800000000, -0.0003208400000000 ] - [ -0.0002730900000000, -0.0006731300000000, -0.0024163800000000 ] - [ -0.0000359500000000, 0.0000852700000000, -0.0002328300000000 ] - [ -0.0000282900000000, 0.0001110700000000, 0.0000497200000000 ] - [ -0.0000642900000000, -0.0000863100000000, 0.0003670000000000 ] - [ -0.0000119800000000, -0.0000034400000000, 0.0005122500000000 ] - [ 0.0000209500000000, 0.0000331000000000, -0.0000599700000000 ] - [ 0.0006726500000000, 0.0006785100000000, -0.0000479100000000 ] - [ 0.0001130100000000, 0.0002280600000000, -0.0000181000000000 ] - [ -0.0001776400000000, -0.0003458200000000, 0.0001087700000000 ] - [ -0.0001934200000000, -0.0002069700000000, -0.0001193800000000 ] - [ -0.0005691000000000, 0.0009126700000000, 0.0000482200000000 ] - [ -0.0000219500000000, 0.0000580300000000, 0.0001502700000000 ] - [ 0.0001263400000000, -0.0003864400000000, 0.0005875500000000 ] - [ 0.0000422400000000, -0.0001651900000000, -0.0003283900000000 ] - [ 0.0000733000000000, -0.0002274300000000, 0.0001261000000000 ] - [ 0.0012970400000000, -0.0072435800000000, 0.0007226300000000 ] - [ -0.0001984300000000, 0.0004210000000000, -0.0002646100000000 ] - [ -0.0002245000000000, 0.0004020800000000, 0.0002625900000000 ] - [ -0.0004363000000000, -0.0002673300000000, -0.0001409600000000 ] - [ 0.0004711900000000, -0.0011049900000000, 0.0003174100000000 ] - [ -0.0003070600000000, 0.0003735900000000, -0.0006046300000000 ] - [ -0.0001660500000000, 0.0003039400000000, 0.0002296100000000 ] - [ 0.0153850400000000, -0.0422037500000000, 0.0267509800000000 ] - [ 0.0000918600000000, 0.0000192800000000, 0.0001792200000000 ] - [ -0.0001498300000000, 0.0002932600000000, 0.0000109700000000 ] - [ -0.0000860000000000, 0.0002844900000000, 0.0001497700000000 ] - [ -0.0007795900000000, -0.0009885400000000, -0.0003542100000000 ] - [ 0.0000263400000000, -0.0003487500000000, 0.0002000600000000 ] - [ -0.0003379700000000, 0.0009797400000000, 0.0000928400000000 ] - [ 0.0000169800000000, 0.0001539500000000, 0.0000967800000000 ] - [ 0.0003468800000000, -0.0009658300000000, 0.0004965400000000 ] - [ 0.0000963700000000, -0.0004238500000000, 0.0000912100000000 ] - [ -0.0003143300000000, 0.0006615200000000, 0.0000619900000000 ] - [ -0.0000228600000000, 0.0002413300000000, -0.0000198900000000 ] - [ -0.0038663500000000, -0.0040918300000000, -0.0000641800000000 ] - [ -0.0000081000000000, -0.0000812100000000, 0.0000691700000000 ] - [ 0.0000090600000000, 0.0004479800000000, -0.0002334600000000 ] - [ 0.0000642500000000, 0.0001524000000000, 0.0000854000000000 ] - [ -0.0001812100000000, 0.0000390500000000, 0.0001654500000000 ] - [ -0.0012525600000000, -0.0004493400000000, -0.0004150600000000 ] - [ 0.0001202400000000, 0.0000948300000000, 0.0000025900000000 ] - [ 0.0002067400000000, 0.0001840600000000, -0.0001063800000000 ] - [ -0.0003569400000000, -0.0000673400000000, 0.0004310800000000 ] - [ -0.0001443300000000, 0.0000900300000000, -0.0002859700000000 ] - [ -0.0000881400000000, 0.0006205200000000, 0.0006872300000000 ] - [ 0.0000120000000000, 0.0001887200000000, -0.0000557500000000 ] - [ -0.0000232500000000, -0.0001249900000000, 0.0000023400000000 ] - [ -0.0027864000000000, -0.0024431200000000, -0.0006855200000000 ] - [ -0.0001265400000000, 0.0001898500000000, 0.0001680600000000 ] - [ -0.0000101900000000, 0.0003085100000000, -0.0001874100000000 ] - [ 0.0002295100000000, -0.0006399900000000, 0.0001616900000000 ] - [ 0.0000525300000000, -0.0007865100000000, -0.0002187900000000 ] - [ 0.0000765700000000, 0.0004155300000000, 0.0001141200000000 ] - [ 0.0000413200000000, 0.0001727400000000, 0.0000263500000000 ] - [ 0.0000727400000000, 0.0001192100000000, 0.0000661100000000 ] - [ 0.0008950000000000, 0.0010521900000000, -0.0004834300000000 ] - [ 0.0000339100000000, 0.0000103600000000, 0.0001037100000000 ] - [ 0.0005864600000000, -0.0004591500000000, -0.0007637700000000 ] - [ 0.0005786200000000, 0.0002636800000000, 0.0002938900000000 ] - [ -0.0000636500000000, 0.0004600000000000, -0.0005939800000000 ] - [ -0.0001589100000000, 0.0000453000000000, 0.0003609300000000 ] - [ 0.0001176000000000, -0.0000938400000000, -0.0000828100000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0012765000000000, -0.0000686500000000, -0.0004497300000000 ] - [ -0.0001797200000000, -0.0000103300000000, 0.0003479900000000 ] - [ 0.0000364900000000, 0.0001827500000000, -0.0001833400000000 ] - [ 0.0001500200000000, -0.0000055000000000, 0.0001453500000000 ] - [ 0.0005056900000000, 0.0000259100000000, -0.0003829900000000 ] - [ -0.0003475900000000, 0.0000724200000000, 0.0005374300000000 ] - [ 0.0000095200000000, -0.0000300000000000, -0.0001686700000000 ] - [ 0.0000218600000000, 0.0000622800000000, 0.0000913100000000 ] - [ -0.0001215000000000, -0.0000104500000000, -0.0003385900000000 ] - [ 0.0000610100000000, 0.0000094200000000, 0.0003509800000000 ] - [ -0.0000032000000000, 0.0002373400000000, -0.0002125300000000 ] - [ -0.0000847000000000, -0.0000217600000000, 0.0001079100000000 ] - [ -0.0000044100000000, 0.0002862400000000, 0.0005080300000000 ] - [ 0.0000183300000000, -0.0001607900000000, -0.0002367400000000 ] - [ 0.0000941600000000, 0.0000955500000000, 0.0000793000000000 ] - [ 0.0001621800000000, -0.0001728700000000, -0.0001222600000000 ] - [ 0.0000474300000000, -0.0001675000000000, 0.0002114700000000 ] - [ -0.0031808000000000, 0.0014632500000000, 0.0019444900000000 ] - [ 0.0000851500000000, -0.0000642300000000, 0.0003137500000000 ] - [ 0.0000482300000000, -0.0000066000000000, -0.0001170500000000 ] - [ 0.0032152900000000, -0.0027134700000000, 0.0014711700000000 ] - [ 0.0000664500000000, 0.0000013800000000, 0.0003409300000000 ] - [ -0.0000826700000000, 0.0001048300000000, -0.0000411500000000 ] - [ -0.0002015200000000, 0.0000885700000000, 0.0001144900000000 ] - [ 0.0013381300000000, 0.0040454000000000, 0.0018164000000000 ] - [ 0.0000148200000000, -0.0001691900000000, 0.0001988600000000 ] - [ -0.0000976900000000, 0.0000638200000000, -0.0002119200000000 ] - [ -0.0000138000000000, -0.0001452300000000, 0.0003353400000000 ] - [ -0.0100854300000000, 0.0270480100000000, -0.0434496900000000 ] - [ -0.0000083000000000, -0.0001886900000000, 0.0002950000000000 ] - [ 0.0000319400000000, 0.0003675400000000, -0.0001827500000000 ] - [ 0.0000180100000000, -0.0002857500000000, 0.0003634400000000 ] - [ -0.0002713800000000, 0.0003848800000000, 0.0000083100000000 ] - [ -0.0001378600000000, -0.0002886900000000, 0.0000968300000000 ] - [ 0.0001420300000000, 0.0001822000000000, -0.0005220900000000 ] - [ -0.0000060300000000, 0.0000102600000000, 0.0002400700000000 ] - [ -0.0007368800000000, -0.0035044100000000, 0.0012775700000000 ] - [ 0.0003010300000000, -0.0000968500000000, 0.0004250700000000 ] - [ -0.0001117100000000, 0.0000109100000000, 0.0000050500000000 ] - [ -0.0000275700000000, 0.0001629000000000, 0.0000870900000000 ] - [ -0.0001162300000000, -0.0001105900000000, 0.0002768900000000 ] - [ -0.0005737900000000, 0.0008596500000000, -0.0016665600000000 ] - [ 0.0001200000000000, 0.0000486400000000, 0.0002642200000000 ] - [ 0.0001702100000000, 0.0000112200000000, -0.0001911800000000 ] - [ -0.0001407000000000, 0.0008443600000000, 0.0021467900000000 ] - [ -0.0000059600000000, -0.0001968900000000, 0.0005642800000000 ] - [ -0.0000170800000000, -0.0000348500000000, 0.0002053100000000 ] - [ -0.0000293300000000, 0.0000977700000000, -0.0000982100000000 ] - [ -0.0000574700000000, 0.0004316700000000, -0.0000991500000000 ] - [ -0.0002288900000000, -0.0003140900000000, 0.0002393300000000 ] - [ -0.0000561600000000, -0.0002935600000000, 0.0001519800000000 ] - [ 0.0001783800000000, 0.0000180700000000, -0.0000025300000000 ] - [ 0.0000646800000000, -0.0000792500000000, 0.0002269700000000 ] - [ -0.0005815500000000, -0.0018278200000000, 0.0022135800000000 ] - [ 0.0000320700000000, 0.0001418800000000, 0.0007298600000000 ] - [ -0.0003470400000000, -0.0001167200000000, -0.0002248100000000 ] - [ 0.0000897500000000, -0.0003275100000000, 0.0004095600000000 ] - [ -0.0004934200000000, 0.0011829200000000, 0.0016200200000000 ] - [ 0.0001152000000000, -0.0003151000000000, -0.0000246600000000 ] - [ 0.0000601600000000, 0.0001507500000000, 0.0001790400000000 ] - [ 0.0000070000000000, -0.0001231000000000, 0.0003631600000000 ] - [ 0.0005020800000000, 0.0000343000000000, -0.0000699600000000 ] - [ -0.0000941400000000, -0.0000190400000000, 0.0000420200000000 ] - [ -0.0002481300000000, -0.0018241200000000, -0.0013429300000000 ] - [ 0.0002232700000000, 0.0001664700000000, -0.0004336500000000 ] - [ 0.0001944100000000, 0.0003885900000000, -0.0000005900000000 ] - [ 0.0002057700000000, 0.0012081300000000, 0.0017086900000000 ] - [ -0.0000539600000000, 0.0001071600000000, -0.0001349200000000 ] - [ 0.0000510500000000, -0.0003209100000000, -0.0000869300000000 ] - [ 0.0000820300000000, 0.0003104800000000, -0.0000058500000000 ] - [ 0.0000165400000000, -0.0001931800000000, 0.0001429400000000 ] - [ 0.0000913900000000, 0.0000656200000000, -0.0001473700000000 ] - [ 0.0008643500000000, -0.0000360000000000, -0.0000287100000000 ] - [ 0.0002493900000000, 0.0000474500000000, 0.0003150900000000 ] - [ -0.0001436500000000, 0.0001224700000000, -0.0000698300000000 ] - [ -0.0001154800000000, 0.0000467800000000, 0.0000728300000000 ] - [ 0.0001057900000000, -0.0001785500000000, -0.0010165000000000 ] - [ -0.0000397400000000, 0.0000133400000000, 0.0007771500000000 ] - [ -0.0000360600000000, 0.0003006200000000, -0.0001200700000000 ] - [ 0.0000083900000000, -0.0000800200000000, -0.0000486300000000 ] - [ -0.0000167900000000, 0.0003197300000000, -0.0003912700000000 ] - [ 0.0010901600000000, -0.0023722700000000, 0.0005551800000000 ] - [ -0.0001154900000000, 0.0001350800000000, -0.0008181900000000 ] - [ -0.0000781900000000, -0.0001438200000000, 0.0004655200000000 ] - [ -0.0002108400000000, -0.0000064400000000, 0.0003094600000000 ] - [ 0.0003387500000000, -0.0005237600000000, -0.0011385100000000 ] - [ -0.0001777500000000, 0.0000155300000000, 0.0000961200000000 ] - [ -0.0001489100000000, 0.0000096900000000, 0.0000173700000000 ] - [ 0.0106582500000000, -0.0248146900000000, 0.0279154700000000 ] - [ -0.0000027700000000, 0.0001806300000000, -0.0003018900000000 ] - [ -0.0000406900000000, -0.0001644000000000, 0.0002686500000000 ] - [ -0.0000139100000000, -0.0000023200000000, -0.0004660400000000 ] - [ 0.0004649200000000, 0.0003934400000000, 0.0011191100000000 ] - [ 0.0000282300000000, -0.0000142700000000, -0.0005793700000000 ] - [ 0.0001521900000000, -0.0002880700000000, 0.0002657700000000 ] - [ 0.0000264900000000, -0.0000075800000000, -0.0002516900000000 ] - [ -0.0007204600000000, 0.0002491900000000, -0.0004539000000000 ] - [ 0.0001392900000000, 0.0008617700000000, -0.0004320700000000 ] - [ 0.0003227500000000, -0.0003936200000000, -0.0001870400000000 ] - [ -0.0000105500000000, 0.0000784700000000, 0.0000129800000000 ] - [ -0.0007724700000000, -0.0000202500000000, 0.0022495000000000 ] - [ -0.0001138600000000, 0.0001796100000000, -0.0004291600000000 ] - [ 0.0001704100000000, -0.0001326500000000, 0.0002735600000000 ] - [ 0.0000433700000000, 0.0000041200000000, -0.0002194500000000 ] - [ -0.0000153500000000, 0.0001150300000000, -0.0002179200000000 ] - [ 0.0000584000000000, -0.0000426600000000, 0.0014555100000000 ] - [ 0.0001692300000000, -0.0000720600000000, -0.0004436000000000 ] - [ 0.0000222900000000, -0.0000422800000000, 0.0004228400000000 ] - [ 0.0001963900000000, -0.0001073200000000, -0.0001943900000000 ] - [ -0.0003319400000000, 0.0007592000000000, -0.0007857400000000 ] - [ 0.0001517600000000, -0.0008009900000000, -0.0004699100000000 ] - [ -0.0000142400000000, 0.0001762500000000, 0.0000297000000000 ] - [ -0.0000565100000000, 0.0000391600000000, -0.0004541600000000 ] - [ -0.0000644800000000, 0.0000861300000000, 0.0016945000000000 ] - [ 0.0000864500000000, -0.0000506300000000, -0.0001928100000000 ] - [ -0.0000173700000000, -0.0000180800000000, 0.0002560700000000 ] - [ -0.0001830100000000, -0.0003431500000000, -0.0007497300000000 ] - [ 0.0003029300000000, -0.0003455200000000, -0.0006634300000000 ] - [ -0.0000123700000000, -0.0000460200000000, -0.0000712000000000 ] - [ 0.0000649000000000, -0.0001544800000000, 0.0000632100000000 ] - [ -0.0001613100000000, 0.0001256400000000, -0.0002849700000000 ] - [ -0.0001857100000000, -0.0003930500000000, 0.0015412400000000 ] - [ 0.0000535400000000, -0.0000173600000000, -0.0004080300000000 ] - [ -0.0000731800000000, 0.0002287800000000, 0.0009362100000000 ] - [ -0.0004232900000000, -0.0000967500000000, -0.0000628400000000 ] - [ -0.0001522000000000, 0.0005344500000000, -0.0007746400000000 ] - [ 0.0001889000000000, -0.0005420300000000, -0.0005808900000000 ] - [ -0.0000575700000000, 0.0004626900000000, 0.0001440600000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0010341400000000, 0.0000741100000000, 0.0004976000000000 ] - [ -0.0000637300000000, 0.0000040000000000, -0.0004009900000000 ] - [ 0.0002071200000000, -0.0001766500000000, 0.0001298100000000 ] - [ 0.0000935600000000, -0.0000001300000000, -0.0000917100000000 ] - [ -0.0005621900000000, -0.0000954100000000, 0.0003611300000000 ] - [ 0.0002955700000000, -0.0000088000000000, -0.0005078600000000 ] - [ 0.0000453700000000, -0.0000364300000000, 0.0001967200000000 ] - [ 0.0000331400000000, 0.0000038700000000, -0.0001201700000000 ] - [ 0.0002355700000000, -0.0000152100000000, 0.0003017200000000 ] - [ 0.0000543800000000, 0.0000154600000000, -0.0003155300000000 ] - [ -0.0001124900000000, -0.0002603200000000, 0.0002479600000000 ] - [ -0.0000305800000000, 0.0000466000000000, -0.0001424800000000 ] - [ -0.0002891800000000, -0.0001419500000000, -0.0004412800000000 ] - [ -0.0003147900000000, 0.0000119100000000, 0.0001721300000000 ] - [ 0.0001987100000000, 0.0000519700000000, -0.0001455100000000 ] - [ 0.0001310900000000, 0.0000238800000000, 0.0001877700000000 ] - [ -0.0000424200000000, 0.0001548200000000, -0.0002543300000000 ] - [ 0.0032027000000000, -0.0014493700000000, -0.0018954200000000 ] - [ -0.0000901500000000, 0.0000515200000000, -0.0002692900000000 ] - [ -0.0000528200000000, 0.0000179200000000, 0.0000723000000000 ] - [ -0.0030008700000000, 0.0027851300000000, -0.0016261100000000 ] - [ 0.0001024200000000, -0.0000892700000000, -0.0001769300000000 ] - [ -0.0000854000000000, -0.0000173900000000, 0.0002060700000000 ] - [ 0.0000332300000000, -0.0001763700000000, -0.0002780000000000 ] - [ -0.0012958500000000, -0.0039552600000000, -0.0017623100000000 ] - [ 0.0000427900000000, 0.0000550800000000, -0.0002524200000000 ] - [ 0.0000406800000000, 0.0000468300000000, 0.0001554900000000 ] - [ -0.0000430200000000, 0.0000316200000000, -0.0002809200000000 ] - [ 0.0095778900000000, -0.0255033100000000, 0.0433813200000000 ] - [ -0.0000381800000000, -0.0002226600000000, -0.0003040000000000 ] - [ 0.0000146500000000, 0.0000428500000000, 0.0001737100000000 ] - [ 0.0000282800000000, -0.0001238900000000, -0.0003548800000000 ] - [ 0.0001126400000000, -0.0004043600000000, 0.0001662600000000 ] - [ -0.0000198600000000, 0.0003076800000000, -0.0002702800000000 ] - [ 0.0000160800000000, -0.0001992400000000, 0.0003471300000000 ] - [ 0.0001629100000000, 0.0000095700000000, -0.0000646900000000 ] - [ 0.0010004500000000, 0.0035733900000000, -0.0015963600000000 ] - [ -0.0000166700000000, -0.0000188700000000, -0.0000934200000000 ] - [ -0.0001716300000000, 0.0001009800000000, 0.0003297300000000 ] - [ -0.0002560400000000, -0.0002779900000000, -0.0004176800000000 ] - [ -0.0001586100000000, 0.0000218200000000, -0.0002812500000000 ] - [ 0.0003029200000000, -0.0007798500000000, 0.0016604100000000 ] - [ 0.0001548600000000, -0.0001370600000000, -0.0002592000000000 ] - [ 0.0001088200000000, 0.0000738300000000, 0.0001862200000000 ] - [ 0.0001248200000000, -0.0009266900000000, -0.0025984300000000 ] - [ -0.0000093500000000, 0.0002737000000000, -0.0001613100000000 ] - [ 0.0000307300000000, -0.0000445300000000, 0.0001974000000000 ] - [ 0.0000426300000000, -0.0000192700000000, -0.0003051100000000 ] - [ -0.0000657300000000, -0.0003830700000000, -0.0002162800000000 ] - [ 0.0001027400000000, 0.0002626800000000, 0.0000743400000000 ] - [ 0.0001827000000000, 0.0003488800000000, 0.0001618700000000 ] - [ -0.0000539000000000, -0.0000671900000000, -0.0003107400000000 ] - [ 0.0000918700000000, -0.0000396500000000, -0.0002562500000000 ] - [ 0.0007540600000000, 0.0019928800000000, -0.0022172500000000 ] - [ -0.0001893600000000, -0.0002605800000000, -0.0006989300000000 ] - [ 0.0001884400000000, 0.0002349500000000, 0.0001955300000000 ] - [ -0.0002028900000000, 0.0001142800000000, -0.0000681000000000 ] - [ 0.0003811800000000, -0.0009655400000000, -0.0019558900000000 ] - [ -0.0000024900000000, 0.0000996800000000, -0.0003182500000000 ] - [ 0.0000524800000000, 0.0000633400000000, 0.0001635600000000 ] - [ 0.0001974500000000, 0.0002450700000000, -0.0001398900000000 ] - [ -0.0003003300000000, -0.0001529800000000, -0.0001559500000000 ] - [ -0.0001082400000000, 0.0001368700000000, -0.0002675700000000 ] - [ 0.0000422100000000, 0.0016734800000000, 0.0015805100000000 ] - [ -0.0001594900000000, -0.0003196700000000, 0.0000259400000000 ] - [ -0.0001352800000000, -0.0002397900000000, 0.0004163900000000 ] - [ -0.0002600800000000, -0.0013330100000000, -0.0012985100000000 ] - [ -0.0000079200000000, 0.0000465300000000, -0.0002741700000000 ] - [ -0.0001188500000000, 0.0002847200000000, -0.0001368200000000 ] - [ -0.0001487600000000, -0.0002724800000000, 0.0002300000000000 ] - [ 0.0000526200000000, 0.0001616200000000, 0.0000788700000000 ] - [ -0.0000238900000000, -0.0000292000000000, -0.0000763400000000 ] - [ -0.0005395100000000, 0.0001249300000000, -0.0000234600000000 ] - [ 0.0000737600000000, -0.0001340500000000, -0.0002628800000000 ] - [ -0.0001789100000000, -0.0000358000000000, 0.0001230200000000 ] - [ -0.0002066000000000, -0.0001335300000000, -0.0001250200000000 ] - [ -0.0001615600000000, 0.0003153600000000, 0.0004771900000000 ] - [ -0.0000152100000000, -0.0001498700000000, -0.0002384700000000 ] - [ 0.0000915900000000, -0.0001647400000000, 0.0006587500000000 ] - [ 0.0000466500000000, -0.0000558900000000, -0.0004901300000000 ] - [ 0.0001568300000000, -0.0001380700000000, 0.0008118000000000 ] - [ -0.0008457500000000, 0.0019184200000000, -0.0012119300000000 ] - [ -0.0000241300000000, 0.0000447400000000, 0.0003971700000000 ] - [ -0.0000626200000000, -0.0000338800000000, -0.0000432600000000 ] - [ 0.0005416200000000, -0.0001478700000000, 0.0000015200000000 ] - [ -0.0000138700000000, 0.0006935800000000, 0.0008160400000000 ] - [ -0.0001527200000000, -0.0001727300000000, -0.0004065600000000 ] - [ -0.0001803300000000, 0.0001478700000000, 0.0002950500000000 ] - [ -0.0102872000000000, 0.0237335000000000, -0.0276740300000000 ] - [ 0.0000587500000000, 0.0000823900000000, 0.0004613300000000 ] - [ -0.0000174600000000, -0.0000965100000000, -0.0001097700000000 ] - [ -0.0000425200000000, 0.0002644600000000, 0.0003044500000000 ] - [ -0.0004825900000000, -0.0003625600000000, -0.0011363000000000 ] - [ -0.0000428500000000, -0.0000142300000000, 0.0005970700000000 ] - [ -0.0001389500000000, 0.0003163000000000, -0.0002466600000000 ] - [ -0.0000123300000000, -0.0000224400000000, 0.0002332900000000 ] - [ 0.0007410600000000, -0.0003366100000000, 0.0005921700000000 ] - [ -0.0001183400000000, -0.0007724700000000, 0.0002874900000000 ] - [ -0.0003401200000000, 0.0003054700000000, 0.0000477600000000 ] - [ -0.0000094000000000, 0.0000101000000000, 0.0001269000000000 ] - [ 0.0006740000000000, -0.0000808400000000, -0.0022203400000000 ] - [ -0.0000078900000000, -0.0000749200000000, 0.0003892500000000 ] - [ -0.0000477100000000, 0.0000287800000000, -0.0003122400000000 ] - [ 0.0000779900000000, 0.0001003600000000, 0.0002588900000000 ] - [ -0.0002014400000000, 0.0000066500000000, 0.0003614500000000 ] - [ -0.0002752200000000, -0.0000769400000000, -0.0015949200000000 ] - [ 0.0000483800000000, 0.0001937900000000, 0.0002994600000000 ] - [ 0.0001938000000000, -0.0000785300000000, -0.0002792800000000 ] - [ -0.0002843600000000, 0.0000612800000000, 0.0002025200000000 ] - [ 0.0002416800000000, -0.0007115800000000, 0.0007783300000000 ] - [ -0.0000650500000000, 0.0007529800000000, 0.0004641100000000 ] - [ 0.0001036800000000, -0.0001307800000000, -0.0000255000000000 ] - [ 0.0000196700000000, -0.0000196200000000, 0.0003243900000000 ] - [ 0.0000032900000000, -0.0001233200000000, -0.0015737100000000 ] - [ -0.0000485200000000, 0.0000695900000000, 0.0003221500000000 ] - [ 0.0000546000000000, -0.0000007600000000, -0.0003851300000000 ] - [ 0.0000751100000000, 0.0005870100000000, 0.0007877400000000 ] - [ -0.0004079400000000, 0.0000970200000000, 0.0006247400000000 ] - [ 0.0001208900000000, 0.0002907900000000, 0.0000327400000000 ] - [ 0.0000442600000000, -0.0000911800000000, -0.0000264700000000 ] - [ 0.0000697000000000, 0.0000455100000000, 0.0002269300000000 ] - [ 0.0000928800000000, 0.0002249500000000, -0.0014798600000000 ] - [ 0.0000375200000000, 0.0001885700000000, 0.0004658400000000 ] - [ 0.0001564600000000, -0.0003896100000000, -0.0010100100000000 ] - [ 0.0004627200000000, 0.0001152200000000, 0.0002450600000000 ] - [ 0.0001923200000000, -0.0005493700000000, 0.0005898900000000 ] - [ -0.0002272400000000, 0.0005601300000000, 0.0003975700000000 ] - [ 0.0000162800000000, -0.0004811800000000, 0.0000347900000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002703400000000, 0.0004826200000000, 0.0004682700000000 ] - [ -0.0001169800000000, -0.0000008700000000, -0.0000082300000000 ] - [ 0.0005153900000000, 0.0000788000000000, 0.0000643100000000 ] - [ -0.0000592500000000, 0.0000396600000000, 0.0001314400000000 ] - [ -0.0000899700000000, 0.0004033300000000, -0.0001032500000000 ] - [ 0.0004450100000000, -0.0004636700000000, 0.0003462500000000 ] - [ 0.0000949600000000, -0.0000882000000000, 0.0000052900000000 ] - [ 0.0000202400000000, 0.0000586100000000, -0.0000111200000000 ] - [ 0.0000265400000000, -0.0000086000000000, 0.0000825600000000 ] - [ 0.0000985300000000, 0.0000298100000000, 0.0000217800000000 ] - [ 0.0008752300000000, 0.0007899000000000, -0.0005283800000000 ] - [ 0.0000303900000000, -0.0001604100000000, -0.0001068800000000 ] - [ 0.0002339000000000, -0.0000243700000000, -0.0002240600000000 ] - [ -0.0002435600000000, 0.0000347800000000, -0.0001557800000000 ] - [ 0.0001576500000000, 0.0000858900000000, -0.0000348400000000 ] - [ 0.0001732800000000, 0.0001961500000000, -0.0001963300000000 ] - [ -0.0003162100000000, 0.0003726100000000, -0.0002693400000000 ] - [ 0.0009480300000000, -0.0003200800000000, -0.0001181200000000 ] - [ 0.0000375400000000, 0.0000007200000000, 0.0000292400000000 ] - [ -0.0000581800000000, 0.0000490100000000, -0.0000211600000000 ] - [ 0.0004947600000000, -0.0004189300000000, -0.0004369600000000 ] - [ 0.0000829800000000, -0.0000422200000000, 0.0001209500000000 ] - [ -0.0001466900000000, 0.0002013300000000, -0.0000133900000000 ] - [ 0.0000614400000000, -0.0001007300000000, -0.0001401300000000 ] - [ 0.0027649300000000, 0.0007727800000000, 0.0005938700000000 ] - [ 0.0000817700000000, -0.0002060100000000, 0.0000783500000000 ] - [ 0.0000050700000000, 0.0000733200000000, -0.0000176300000000 ] - [ -0.0000412300000000, -0.0000545200000000, 0.0000471100000000 ] - [ 0.0002087200000000, 0.0000429300000000, -0.0001868900000000 ] - [ -0.0000851800000000, -0.0002073800000000, 0.0000547600000000 ] - [ -0.0000072900000000, 0.0001206300000000, 0.0000565500000000 ] - [ 0.0000925900000000, -0.0001660600000000, 0.0000888700000000 ] - [ -0.0446610600000000, 0.0052525600000000, 0.0071510000000000 ] - [ 0.0000019500000000, 0.0000221600000000, -0.0000956500000000 ] - [ 0.0000302700000000, -0.0000817900000000, 0.0000152100000000 ] - [ 0.0001081400000000, -0.0000488500000000, 0.0001847800000000 ] - [ 0.0003732000000000, -0.0001035600000000, -0.0000838300000000 ] - [ 0.0001058900000000, -0.0000717600000000, 0.0002142200000000 ] - [ -0.0001368200000000, 0.0000847900000000, 0.0001535400000000 ] - [ 0.0001176700000000, 0.0004484600000000, 0.0003248700000000 ] - [ -0.0002114300000000, 0.0000071000000000, -0.0000313800000000 ] - [ 0.0005388700000000, -0.0001122900000000, 0.0005334100000000 ] - [ 0.0002220700000000, -0.0000395800000000, 0.0000759800000000 ] - [ 0.0001307100000000, 0.0001090500000000, -0.0000149600000000 ] - [ 0.0004175900000000, -0.0000282300000000, -0.0000378900000000 ] - [ -0.0004118400000000, -0.0006759300000000, 0.0008231000000000 ] - [ 0.0000348400000000, -0.0001161000000000, 0.0002518500000000 ] - [ 0.0000403600000000, 0.0000711000000000, -0.0002600800000000 ] - [ -0.0004001600000000, -0.0001635500000000, -0.0001239200000000 ] - [ -0.0000235400000000, -0.0000393600000000, 0.0000907900000000 ] - [ 0.0000161700000000, -0.0000728700000000, 0.0003608300000000 ] - [ -0.0006595500000000, -0.0003592000000000, -0.0002627200000000 ] - [ -0.0003790400000000, -0.0000449700000000, -0.0000654100000000 ] - [ 0.0001505300000000, 0.0000291200000000, -0.0000229900000000 ] - [ -0.0000682900000000, -0.0000627600000000, 0.0000343200000000 ] - [ -0.0005409800000000, -0.0000933600000000, 0.0001941600000000 ] - [ -0.0001594900000000, -0.0001391200000000, 0.0000894300000000 ] - [ 0.0010062100000000, -0.0000619600000000, -0.0008956100000000 ] - [ 0.0000822900000000, -0.0001140600000000, -0.0001955900000000 ] - [ 0.0000497900000000, 0.0001394500000000, 0.0002026700000000 ] - [ 0.0001799400000000, 0.0000986200000000, 0.0001504100000000 ] - [ 0.0016970800000000, -0.0035986300000000, 0.0001546400000000 ] - [ -0.0001309900000000, 0.0000488100000000, -0.0001071700000000 ] - [ -0.0000673600000000, -0.0000781100000000, 0.0000714700000000 ] - [ 0.0138426300000000, -0.0084637300000000, -0.0090791600000000 ] - [ 0.0000131700000000, -0.0000012000000000, 0.0002318900000000 ] - [ 0.0000223300000000, -0.0000041500000000, 0.0001845800000000 ] - [ -0.0000600100000000, 0.0001131200000000, -0.0002820600000000 ] - [ 0.0007433100000000, -0.0000837300000000, -0.0000598700000000 ] - [ -0.0000133700000000, 0.0000484200000000, 0.0001342100000000 ] - [ 0.0000691200000000, 0.0000758100000000, 0.0000333300000000 ] - [ -0.0000721500000000, -0.0000902900000000, -0.0001623500000000 ] - [ 0.0000244100000000, 0.0000474500000000, 0.0002224700000000 ] - [ 0.0001962200000000, -0.0000402800000000, 0.0000554200000000 ] - [ 0.0000325700000000, 0.0005181600000000, 0.0000512300000000 ] - [ -0.0004288700000000, -0.0001765000000000, -0.0003477400000000 ] - [ 0.0013211100000000, -0.0009546000000000, 0.0004005400000000 ] - [ 0.0000475300000000, -0.0000274900000000, 0.0003322100000000 ] - [ 0.0001164700000000, 0.0004130400000000, -0.0000377600000000 ] - [ 0.0000504400000000, -0.0001718000000000, -0.0003919200000000 ] - [ 0.0005398300000000, 0.0003821700000000, -0.0002058000000000 ] - [ -0.0008425200000000, -0.0006541200000000, -0.0003420100000000 ] - [ -0.0000867200000000, 0.0001116200000000, -0.0002518900000000 ] - [ -0.0000303700000000, -0.0000668800000000, 0.0001726500000000 ] - [ 0.0004451600000000, -0.0000868500000000, 0.0005735300000000 ] - [ -0.0004417500000000, -0.0000637800000000, -0.0001212600000000 ] - [ -0.0003840800000000, -0.0000757600000000, -0.0000573200000000 ] - [ -0.0001417100000000, 0.0000747800000000, 0.0001318000000000 ] - [ -0.0003979000000000, -0.0002634100000000, -0.0001720200000000 ] - [ 0.0000826900000000, 0.0001661600000000, 0.0000583000000000 ] - [ 0.0000952700000000, -0.0001066400000000, 0.0001601500000000 ] - [ -0.0005878500000000, -0.0000218700000000, -0.0002231800000000 ] - [ 0.0002582600000000, 0.0000424300000000, -0.0011425300000000 ] - [ -0.0000162800000000, -0.0000499100000000, -0.0000212600000000 ] - [ -0.0009951200000000, -0.0007254200000000, 0.0002298700000000 ] - [ 0.0002756300000000, 0.0001111500000000, 0.0001353300000000 ] - [ 0.0049924100000000, 0.0019755300000000, -0.0039747600000000 ] - [ -0.0000160900000000, 0.0002454300000000, -0.0000673500000000 ] - [ -0.0000667100000000, -0.0000578700000000, -0.0000685000000000 ] - [ 0.0001059600000000, 0.0000138000000000, 0.0001030600000000 ] - [ 0.0071226200000000, 0.0024089800000000, 0.0048971300000000 ] - [ -0.0000487800000000, 0.0001147600000000, -0.0001187800000000 ] - [ -0.0000625800000000, -0.0001146900000000, 0.0000363300000000 ] - [ 0.0002823700000000, 0.0000262200000000, -0.0000344900000000 ] - [ -0.0002066700000000, 0.0001031400000000, 0.0001301600000000 ] - [ 0.0062375200000000, 0.0027190400000000, -0.0050299900000000 ] - [ 0.0000029200000000, 0.0000512900000000, 0.0000578300000000 ] - [ 0.0001782300000000, -0.0002185700000000, 0.0001115500000000 ] - [ -0.0001776700000000, -0.0000832100000000, -0.0000964100000000 ] - [ 0.0000687600000000, 0.0000865700000000, 0.0000812700000000 ] - [ -0.0013663500000000, 0.0003554600000000, 0.0004432700000000 ] - [ 0.0001219100000000, -0.0000600000000000, 0.0000007300000000 ] - [ 0.0000044300000000, -0.0000183700000000, 0.0000354600000000 ] - [ 0.0001404100000000, 0.0002161000000000, 0.0001736300000000 ] - [ -0.0000912400000000, -0.0000025100000000, 0.0000768000000000 ] - [ 0.0004099300000000, -0.0001081900000000, 0.0000370500000000 ] - [ 0.0000878900000000, 0.0002021900000000, 0.0000466400000000 ] - [ -0.0000987500000000, -0.0000317300000000, -0.0001665000000000 ] - [ -0.0002510200000000, -0.0015287800000000, -0.0003378000000000 ] - [ -0.0001250500000000, -0.0001441800000000, -0.0000394900000000 ] - [ 0.0000280600000000, 0.0000914500000000, -0.0000701700000000 ] - [ -0.0003251700000000, 0.0000346400000000, -0.0001856800000000 ] - [ 0.0001550600000000, 0.0001339700000000, -0.0001637500000000 ] - [ -0.0001455800000000, -0.0002054400000000, -0.0000074700000000 ] - [ 0.0000510100000000, -0.0000635600000000, 0.0000499900000000 ] - [ -0.0000297000000000, 0.0000175300000000, -0.0001302300000000 ] - [ 0.0060076600000000, 0.0021621100000000, 0.0053815700000000 ] - [ -0.0001303600000000, -0.0000730700000000, 0.0001229300000000 ]- atom: 33 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000292100000000, -0.0004787900000000, -0.0004151800000000 ] - [ -0.0001270600000000, -0.0000059600000000, -0.0000445300000000 ] - [ -0.0002768900000000, -0.0000739500000000, -0.0001179700000000 ] - [ 0.0003040700000000, -0.0000437700000000, -0.0000764000000000 ] - [ 0.0000334600000000, -0.0004821700000000, 0.0000750400000000 ] - [ -0.0005027500000000, 0.0005358600000000, -0.0003209700000000 ] - [ -0.0000412900000000, 0.0000217100000000, 0.0000235700000000 ] - [ 0.0000352500000000, 0.0000086700000000, -0.0000168000000000 ] - [ 0.0000821000000000, 0.0000032000000000, -0.0001034200000000 ] - [ 0.0000160500000000, -0.0000061600000000, 0.0000133300000000 ] - [ -0.0009951100000000, -0.0008114700000000, 0.0005624700000000 ] - [ -0.0001465500000000, 0.0001883700000000, 0.0000733200000000 ] - [ -0.0005295100000000, 0.0001719600000000, 0.0002881600000000 ] - [ -0.0000484800000000, -0.0001818200000000, 0.0000865900000000 ] - [ 0.0001348800000000, 0.0000635100000000, -0.0000305000000000 ] - [ 0.0001219100000000, -0.0003474100000000, 0.0002641100000000 ] - [ 0.0003192600000000, -0.0003806400000000, 0.0002234000000000 ] - [ -0.0009370500000000, 0.0003360600000000, 0.0001624000000000 ] - [ -0.0000436200000000, -0.0000127500000000, 0.0000146900000000 ] - [ 0.0000551100000000, -0.0000351600000000, -0.0000238000000000 ] - [ -0.0003296800000000, 0.0005104800000000, 0.0002755000000000 ] - [ 0.0000850800000000, -0.0000460500000000, 0.0000438500000000 ] - [ -0.0000211800000000, -0.0001106500000000, 0.0001769200000000 ] - [ -0.0002308700000000, 0.0000124900000000, -0.0000242600000000 ] - [ -0.0026573600000000, -0.0006288400000000, -0.0005367300000000 ] - [ -0.0000239400000000, 0.0000922700000000, -0.0001322100000000 ] - [ -0.0000639300000000, 0.0000424800000000, -0.0000372900000000 ] - [ -0.0000156600000000, -0.0000595700000000, 0.0000071800000000 ] - [ -0.0002649300000000, 0.0003673900000000, 0.0001971700000000 ] - [ 0.0000378000000000, -0.0002046400000000, -0.0000634000000000 ] - [ 0.0000547300000000, 0.0002982900000000, -0.0000692700000000 ] - [ -0.0000465100000000, -0.0002451600000000, -0.0000801300000000 ] - [ 0.0446782300000000, -0.0052459500000000, -0.0069232700000000 ] - [ -0.0001605200000000, -0.0000018600000000, -0.0000785300000000 ] - [ 0.0001254900000000, 0.0000633900000000, -0.0001908500000000 ] - [ 0.0000487400000000, 0.0000684600000000, -0.0000104400000000 ] - [ -0.0000938600000000, 0.0002201900000000, -0.0002488300000000 ] - [ 0.0001787500000000, -0.0000445100000000, 0.0001183900000000 ] - [ -0.0001477000000000, 0.0000306700000000, 0.0001777500000000 ] - [ -0.0003979800000000, -0.0005698200000000, -0.0006594900000000 ] - [ -0.0000640800000000, -0.0000945800000000, 0.0000261100000000 ] - [ -0.0008112500000000, 0.0001950700000000, -0.0005132700000000 ] - [ 0.0000523500000000, -0.0000494500000000, -0.0000716200000000 ] - [ 0.0001440800000000, -0.0000191100000000, 0.0000099500000000 ] - [ -0.0004350800000000, -0.0000478000000000, -0.0003694200000000 ] - [ 0.0003976500000000, 0.0007526500000000, -0.0004210200000000 ] - [ -0.0000207100000000, 0.0000402500000000, 0.0001489100000000 ] - [ -0.0000272900000000, 0.0000077300000000, -0.0001425800000000 ] - [ 0.0002741300000000, 0.0002185100000000, -0.0001869000000000 ] - [ -0.0001022200000000, -0.0000101400000000, 0.0002234200000000 ] - [ 0.0001079800000000, 0.0001214400000000, -0.0000485300000000 ] - [ 0.0007826000000000, 0.0003099800000000, -0.0000498300000000 ] - [ 0.0005371800000000, -0.0000750200000000, 0.0000408200000000 ] - [ 0.0000050800000000, 0.0000898800000000, 0.0000514500000000 ] - [ -0.0000892800000000, -0.0000552100000000, -0.0000046100000000 ] - [ 0.0003817500000000, 0.0002100000000000, -0.0002288200000000 ] - [ 0.0000485700000000, -0.0000756500000000, 0.0002554800000000 ] - [ -0.0011118900000000, 0.0002728400000000, 0.0005378100000000 ] - [ 0.0000294000000000, -0.0001010500000000, -0.0001470300000000 ] - [ 0.0000627000000000, 0.0000767300000000, 0.0001410300000000 ] - [ 0.0000216500000000, 0.0000192300000000, 0.0000751300000000 ] - [ -0.0015089600000000, 0.0034974800000000, -0.0004136500000000 ] - [ -0.0000708600000000, 0.0000672900000000, -0.0001172000000000 ] - [ -0.0001359000000000, -0.0000379200000000, 0.0001544900000000 ] - [ -0.0138274500000000, 0.0081804800000000, 0.0086206900000000 ] - [ 0.0000482400000000, 0.0001554500000000, 0.0001771700000000 ] - [ -0.0000868900000000, -0.0001492700000000, 0.0002238200000000 ] - [ -0.0000022400000000, 0.0000413400000000, -0.0001253900000000 ] - [ -0.0008057400000000, 0.0000436400000000, -0.0001495600000000 ] - [ -0.0000542500000000, -0.0000118700000000, 0.0000899200000000 ] - [ -0.0000024400000000, -0.0001120300000000, 0.0001900500000000 ] - [ 0.0001389800000000, 0.0001275900000000, -0.0000638700000000 ] - [ 0.0003012800000000, 0.0000329800000000, -0.0002747800000000 ] - [ 0.0001259900000000, -0.0000465500000000, -0.0000018700000000 ] - [ -0.0003542200000000, -0.0004340100000000, -0.0000010100000000 ] - [ 0.0001068400000000, 0.0000951600000000, 0.0003026700000000 ] - [ -0.0013642900000000, 0.0011296100000000, -0.0008960900000000 ] - [ -0.0001036000000000, -0.0001090200000000, 0.0002061900000000 ] - [ -0.0000617800000000, -0.0002809400000000, 0.0005804200000000 ] - [ 0.0000038100000000, 0.0000383900000000, -0.0001439300000000 ] - [ -0.0003980700000000, -0.0002044800000000, 0.0006261900000000 ] - [ 0.0009857500000000, 0.0004592200000000, -0.0000794000000000 ] - [ -0.0000531600000000, 0.0000688100000000, -0.0001689900000000 ] - [ -0.0001120700000000, -0.0001174200000000, 0.0002503500000000 ] - [ -0.0001243900000000, -0.0000707400000000, -0.0002587800000000 ] - [ 0.0007766900000000, 0.0002176700000000, -0.0001845000000000 ] - [ 0.0000543400000000, -0.0000808300000000, -0.0002564500000000 ] - [ -0.0001896300000000, 0.0000802800000000, 0.0001796700000000 ] - [ 0.0004627100000000, -0.0000042100000000, 0.0000079000000000 ] - [ -0.0000262700000000, 0.0000975500000000, 0.0001007000000000 ] - [ -0.0001526800000000, -0.0001595200000000, -0.0000011300000000 ] - [ 0.0005329000000000, 0.0002857500000000, 0.0000643600000000 ] - [ -0.0003011600000000, -0.0000060900000000, 0.0011045300000000 ] - [ 0.0000021700000000, 0.0000214000000000, 0.0000393000000000 ] - [ 0.0010111500000000, 0.0007550500000000, -0.0002105100000000 ] - [ -0.0002647200000000, -0.0001444900000000, -0.0001578600000000 ] - [ -0.0048548400000000, -0.0019903400000000, 0.0039707800000000 ] - [ 0.0000349200000000, -0.0001584400000000, -0.0000736000000000 ] - [ 0.0000483500000000, -0.0000306000000000, -0.0000716100000000 ] - [ -0.0001279800000000, 0.0000743700000000, 0.0000370500000000 ] - [ -0.0071491200000000, -0.0024452100000000, -0.0047159300000000 ] - [ -0.0000730300000000, -0.0000110500000000, 0.0000796100000000 ] - [ 0.0001865100000000, 0.0000100500000000, -0.0000760300000000 ] - [ -0.0001646700000000, 0.0000784700000000, 0.0000724100000000 ] - [ -0.0000108100000000, 0.0000173700000000, 0.0000132700000000 ] - [ -0.0066027700000000, -0.0028884900000000, 0.0050794700000000 ] - [ 0.0002173300000000, 0.0000724100000000, -0.0002026200000000 ] - [ 0.0000369600000000, 0.0000935900000000, 0.0000351600000000 ] - [ 0.0000886100000000, 0.0000361000000000, 0.0001010300000000 ] - [ -0.0001601100000000, -0.0000390200000000, -0.0000882000000000 ] - [ 0.0014679000000000, -0.0004057500000000, -0.0004555700000000 ] - [ -0.0000343200000000, 0.0001056400000000, 0.0000052600000000 ] - [ -0.0000398300000000, 0.0000392300000000, -0.0001649500000000 ] - [ -0.0001663000000000, -0.0002339600000000, -0.0000385400000000 ] - [ 0.0001297900000000, 0.0000215300000000, 0.0000521100000000 ] - [ -0.0003812500000000, 0.0000857500000000, -0.0001629700000000 ] - [ -0.0001949300000000, 0.0000438700000000, -0.0000120000000000 ] - [ -0.0000093900000000, -0.0002124100000000, 0.0001283500000000 ] - [ 0.0003477200000000, 0.0017615400000000, 0.0002949200000000 ] - [ 0.0002362400000000, -0.0001013200000000, 0.0000782900000000 ] - [ -0.0001201300000000, 0.0000789200000000, 0.0000113200000000 ] - [ 0.0002424100000000, -0.0002052900000000, 0.0002493600000000 ] - [ -0.0000662600000000, 0.0000376400000000, 0.0002227100000000 ] - [ 0.0002390000000000, 0.0000337600000000, -0.0000483300000000 ] - [ -0.0000113500000000, 0.0000780800000000, 0.0001286200000000 ] - [ 0.0000723600000000, -0.0000340600000000, -0.0000509900000000 ] - [ -0.0062433600000000, -0.0021969900000000, -0.0057748200000000 ] - [ 0.0000912900000000, 0.0000542200000000, 0.0000568800000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005803100000000, 0.0002428400000000, 0.0002735200000000 ] - [ -0.0000675600000000, -0.0000317800000000, -0.0001063800000000 ] - [ 0.0000371600000000, -0.0001030300000000, -0.0000085000000000 ] - [ 0.0002686500000000, 0.0001558500000000, 0.0000816900000000 ] - [ 0.0001505800000000, 0.0010517500000000, 0.0002444000000000 ] - [ 0.0000954500000000, -0.0000844200000000, -0.0000674400000000 ] - [ 0.0000195300000000, -0.0000556000000000, 0.0000168400000000 ] - [ 0.0000251500000000, 0.0000509800000000, -0.0000173800000000 ] - [ -0.0001192100000000, -0.0003140000000000, -0.0003816000000000 ] - [ 0.0000633800000000, -0.0000334800000000, -0.0000295100000000 ] - [ 0.0004580600000000, -0.0002378400000000, -0.0007026200000000 ] - [ -0.0001958900000000, 0.0005036500000000, 0.0001208700000000 ] - [ 0.0001604200000000, -0.0002404900000000, -0.0003198600000000 ] - [ -0.0002613300000000, -0.0000354300000000, 0.0002269300000000 ] - [ 0.0001213900000000, 0.0000813400000000, -0.0000393600000000 ] - [ 0.0002203700000000, -0.0001673900000000, 0.0000753600000000 ] - [ 0.0000519500000000, 0.0003261000000000, -0.0003594600000000 ] - [ -0.0007400200000000, -0.0002987600000000, -0.0000563000000000 ] - [ -0.0000313900000000, -0.0000156200000000, 0.0000117300000000 ] - [ 0.0000336800000000, 0.0000248500000000, -0.0000570000000000 ] - [ 0.0003745500000000, 0.0000341900000000, -0.0000726700000000 ] - [ 0.0000938300000000, -0.0000214700000000, -0.0000224500000000 ] - [ -0.0000114000000000, 0.0002755000000000, 0.0001029900000000 ] - [ -0.0000824800000000, -0.0000918200000000, -0.0001366200000000 ] - [ 0.0006947200000000, 0.0001356200000000, -0.0003697500000000 ] - [ -0.0002471500000000, 0.0004391000000000, -0.0004128900000000 ] - [ -0.0000640800000000, 0.0001049900000000, -0.0000484200000000 ] - [ 0.0000025300000000, -0.0000964100000000, 0.0000176300000000 ] - [ 0.0001695300000000, 0.0005159600000000, 0.0004000700000000 ] - [ -0.0000309300000000, -0.0002794900000000, -0.0003043600000000 ] - [ 0.0000475700000000, 0.0004096200000000, -0.0001896000000000 ] - [ 0.0000219700000000, -0.0001867900000000, 0.0000035300000000 ] - [ 0.0048250100000000, -0.0484318900000000, -0.0188163300000000 ] - [ -0.0000906400000000, 0.0001362500000000, -0.0001266300000000 ] - [ 0.0001516400000000, 0.0000152700000000, -0.0000922600000000 ] - [ 0.0000197600000000, 0.0001059200000000, -0.0001326100000000 ] - [ 0.0002712200000000, -0.0001794800000000, 0.0000508200000000 ] - [ 0.0000989000000000, -0.0000220400000000, -0.0000221000000000 ] - [ -0.0001820400000000, 0.0002236000000000, 0.0002283200000000 ] - [ -0.0001003000000000, -0.0001941900000000, -0.0002305400000000 ] - [ -0.0001658200000000, 0.0000434500000000, -0.0001950800000000 ] - [ 0.0001030600000000, -0.0001949000000000, 0.0004828100000000 ] - [ 0.0001273600000000, -0.0001174000000000, -0.0000118900000000 ] - [ 0.0001315700000000, 0.0001094000000000, 0.0000307400000000 ] - [ 0.0002048300000000, 0.0001073800000000, -0.0002904200000000 ] - [ 0.0002119300000000, 0.0019179300000000, -0.0017135900000000 ] - [ -0.0000768800000000, 0.0001128100000000, 0.0000665300000000 ] - [ -0.0000013600000000, 0.0000267900000000, -0.0001920500000000 ] - [ -0.0001642800000000, -0.0000276200000000, -0.0002051000000000 ] - [ -0.0000675100000000, -0.0000208400000000, 0.0000696600000000 ] - [ 0.0000114800000000, -0.0000408600000000, 0.0003009700000000 ] - [ -0.0002781200000000, -0.0000637200000000, -0.0003671600000000 ] - [ -0.0000164500000000, -0.0003077000000000, 0.0002736900000000 ] - [ 0.0001369400000000, 0.0000140200000000, 0.0000571700000000 ] - [ -0.0000766100000000, -0.0000287200000000, 0.0000033100000000 ] - [ -0.0002480400000000, -0.0001388000000000, -0.0005020200000000 ] - [ -0.0000734300000000, 0.0000812200000000, 0.0002932000000000 ] - [ 0.0000061100000000, 0.0000448800000000, -0.0003257500000000 ] - [ 0.0000622300000000, -0.0001391900000000, -0.0001474200000000 ] - [ 0.0000635200000000, 0.0001674100000000, 0.0001333200000000 ] - [ 0.0000830700000000, 0.0001812800000000, 0.0001258800000000 ] - [ -0.0036771600000000, 0.0082425300000000, -0.0007686200000000 ] - [ -0.0001253200000000, 0.0000910200000000, -0.0001121700000000 ] - [ -0.0000606700000000, -0.0001828600000000, 0.0000076300000000 ] - [ -0.0088447900000000, 0.0308773300000000, 0.0221403200000000 ] - [ 0.0000047800000000, 0.0000404800000000, 0.0001797400000000 ] - [ 0.0000311400000000, -0.0000814800000000, 0.0002777300000000 ] - [ 0.0000004200000000, -0.0000206300000000, -0.0000868600000000 ] - [ -0.0001512300000000, 0.0009654400000000, -0.0003580000000000 ] - [ -0.0000454600000000, 0.0000320200000000, 0.0001360300000000 ] - [ 0.0000531600000000, 0.0000732700000000, 0.0000823200000000 ] - [ -0.0000171900000000, -0.0001688300000000, 0.0000334400000000 ] - [ 0.0002278500000000, -0.0000271300000000, -0.0005850100000000 ] - [ 0.0001735800000000, -0.0000226500000000, -0.0000202300000000 ] - [ -0.0000386800000000, 0.0003626800000000, 0.0000790500000000 ] - [ 0.0001703500000000, 0.0002703500000000, 0.0006859900000000 ] - [ -0.0013685500000000, 0.0005645700000000, -0.0031135100000000 ] - [ -0.0000331300000000, -0.0000767300000000, 0.0001454500000000 ] - [ 0.0000293900000000, 0.0000521200000000, 0.0002288300000000 ] - [ -0.0000419300000000, 0.0001087500000000, -0.0000379200000000 ] - [ -0.0004262400000000, -0.0007667100000000, 0.0013210100000000 ] - [ -0.0002557700000000, 0.0000241600000000, -0.0001316400000000 ] - [ -0.0000499500000000, 0.0001310200000000, -0.0001905800000000 ] - [ -0.0000976900000000, -0.0003033600000000, 0.0003426900000000 ] - [ 0.0008785100000000, -0.0003994200000000, -0.0004988200000000 ] - [ -0.0000656600000000, 0.0000727000000000, 0.0000513500000000 ] - [ -0.0001707800000000, -0.0000352600000000, -0.0001781100000000 ] - [ -0.0001870200000000, 0.0000009400000000, 0.0002202500000000 ] - [ -0.0001748100000000, -0.0001902800000000, -0.0005329600000000 ] - [ 0.0000610300000000, 0.0000493800000000, 0.0003064700000000 ] - [ 0.0000904500000000, -0.0004239500000000, 0.0000659400000000 ] - [ -0.0000207300000000, 0.0001350700000000, -0.0001046400000000 ] - [ 0.0020085700000000, 0.0010424100000000, 0.0025453100000000 ] - [ -0.0000063500000000, 0.0000487300000000, 0.0001364600000000 ] - [ -0.0002118700000000, 0.0001338000000000, 0.0003642700000000 ] - [ -0.0004139500000000, -0.0003632400000000, -0.0003072200000000 ] - [ 0.0016350900000000, 0.0007918000000000, -0.0010099400000000 ] - [ 0.0001048300000000, -0.0001002500000000, -0.0000857900000000 ] - [ 0.0000388200000000, -0.0000224500000000, -0.0000447600000000 ] - [ -0.0000695300000000, 0.0000479300000000, 0.0000832300000000 ] - [ 0.0024402100000000, 0.0008938500000000, 0.0017072400000000 ] - [ 0.0000191300000000, 0.0000632600000000, 0.0001293200000000 ] - [ 0.0000976500000000, -0.0000829600000000, -0.0000469300000000 ] - [ -0.0001040100000000, 0.0000690400000000, -0.0000995500000000 ] - [ -0.0001936600000000, -0.0001210500000000, 0.0001340200000000 ] - [ 0.0025065000000000, 0.0012390200000000, -0.0021756700000000 ] - [ 0.0003185500000000, 0.0003158500000000, -0.0000722400000000 ] - [ 0.0000217500000000, -0.0000294200000000, -0.0000558200000000 ] - [ -0.0000766000000000, -0.0000801900000000, 0.0000384400000000 ] - [ -0.0001253200000000, -0.0000499000000000, 0.0000446400000000 ] - [ -0.0006441800000000, 0.0008814900000000, -0.0000524700000000 ] - [ 0.0000884100000000, -0.0002611300000000, -0.0000979600000000 ] - [ 0.0000661200000000, 0.0001654100000000, 0.0001613600000000 ] - [ -0.0008760800000000, -0.0001178300000000, -0.0002880500000000 ] - [ 0.0001500800000000, 0.0000006200000000, 0.0000440700000000 ] - [ -0.0002908600000000, -0.0002443000000000, 0.0002457400000000 ] - [ -0.0002757800000000, 0.0000855200000000, 0.0001177700000000 ] - [ 0.0001266000000000, -0.0001494100000000, -0.0000588700000000 ] - [ -0.0004991700000000, 0.0002846900000000, -0.0003287900000000 ] - [ 0.0001689000000000, -0.0001854700000000, 0.0000586000000000 ] - [ -0.0000967700000000, -0.0000895500000000, 0.0000510300000000 ] - [ 0.0004494500000000, 0.0002260900000000, 0.0002065600000000 ] - [ 0.0000011300000000, 0.0002093000000000, 0.0000802900000000 ] - [ -0.0000352600000000, -0.0003325600000000, -0.0002601500000000 ] - [ 0.0000026500000000, 0.0001154300000000, 0.0002594800000000 ] - [ 0.0001033100000000, 0.0001009800000000, -0.0001243000000000 ] - [ 0.0023317400000000, 0.0010620600000000, 0.0022896100000000 ] - [ -0.0002738500000000, -0.0003809300000000, 0.0002069600000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003332700000000, -0.0002404000000000, -0.0002204200000000 ] - [ -0.0001751000000000, 0.0000253500000000, 0.0000514300000000 ] - [ 0.0002072400000000, 0.0001083400000000, -0.0000428000000000 ] - [ -0.0000262200000000, -0.0001644700000000, -0.0000308600000000 ] - [ -0.0001995500000000, -0.0011064600000000, -0.0002696700000000 ] - [ -0.0001495400000000, 0.0001502200000000, 0.0000977000000000 ] - [ 0.0000354600000000, -0.0000104100000000, 0.0000125100000000 ] - [ 0.0000291700000000, 0.0000145100000000, -0.0000121100000000 ] - [ 0.0002289700000000, 0.0002845400000000, 0.0003423400000000 ] - [ 0.0000517000000000, 0.0000585300000000, 0.0000631600000000 ] - [ -0.0005811500000000, 0.0002189000000000, 0.0007494200000000 ] - [ 0.0000820300000000, -0.0004811700000000, -0.0001568000000000 ] - [ -0.0004513000000000, 0.0003890000000000, 0.0003854300000000 ] - [ -0.0000336000000000, -0.0001143400000000, -0.0002913800000000 ] - [ 0.0001719800000000, 0.0000665900000000, -0.0000274300000000 ] - [ 0.0000730400000000, 0.0000243500000000, -0.0000110600000000 ] - [ -0.0000433300000000, -0.0003405400000000, 0.0003168200000000 ] - [ 0.0007488700000000, 0.0003053500000000, 0.0001016900000000 ] - [ 0.0000267100000000, 0.0000033700000000, 0.0000309600000000 ] - [ -0.0000400900000000, -0.0000138700000000, 0.0000149800000000 ] - [ -0.0002004700000000, 0.0000507200000000, -0.0000962600000000 ] - [ 0.0000743900000000, -0.0000675600000000, 0.0001851300000000 ] - [ -0.0001583000000000, -0.0001917000000000, 0.0000630600000000 ] - [ -0.0000850100000000, 0.0000035200000000, -0.0000292500000000 ] - [ -0.0006532200000000, -0.0000252700000000, 0.0004270500000000 ] - [ 0.0002999100000000, -0.0005489000000000, 0.0003556200000000 ] - [ 0.0000081300000000, 0.0000056300000000, -0.0000027600000000 ] - [ -0.0000600300000000, -0.0000170200000000, 0.0000347700000000 ] - [ -0.0002142500000000, -0.0001050600000000, -0.0003892900000000 ] - [ -0.0000156800000000, -0.0001330300000000, 0.0002920100000000 ] - [ -0.0000039100000000, -0.0000070200000000, 0.0001919100000000 ] - [ 0.0000246600000000, -0.0002245600000000, 0.0000042800000000 ] - [ -0.0056875900000000, 0.0495733500000000, 0.0202185900000000 ] - [ -0.0000665400000000, -0.0001174300000000, -0.0000476700000000 ] - [ 0.0000065300000000, -0.0000350800000000, -0.0000833800000000 ] - [ 0.0001371200000000, -0.0000859200000000, 0.0003044200000000 ] - [ 0.0000146900000000, 0.0002941900000000, -0.0003817300000000 ] - [ 0.0001843700000000, -0.0000941500000000, 0.0003509400000000 ] - [ -0.0001016100000000, -0.0001096900000000, 0.0001038100000000 ] - [ -0.0001863600000000, 0.0000826500000000, -0.0000996900000000 ] - [ -0.0001089400000000, -0.0001331000000000, 0.0001898100000000 ] - [ -0.0003709200000000, 0.0002849500000000, -0.0004770700000000 ] - [ 0.0001478000000000, 0.0000290700000000, 0.0000149200000000 ] - [ 0.0001430900000000, -0.0000234400000000, -0.0000348200000000 ] - [ -0.0002172600000000, -0.0001865000000000, -0.0001108800000000 ] - [ -0.0002185800000000, -0.0018228700000000, 0.0020980700000000 ] - [ 0.0000918100000000, -0.0001893500000000, 0.0003355600000000 ] - [ 0.0000156900000000, 0.0000522400000000, -0.0002125200000000 ] - [ 0.0000416000000000, 0.0000723400000000, -0.0001187100000000 ] - [ -0.0000566800000000, -0.0000278300000000, 0.0002444000000000 ] - [ 0.0001147600000000, 0.0000919700000000, 0.0000097100000000 ] - [ 0.0004115800000000, 0.0000016600000000, 0.0000106200000000 ] - [ 0.0001704200000000, 0.0001913900000000, -0.0002949300000000 ] - [ 0.0000208200000000, 0.0001023500000000, -0.0000269200000000 ] - [ -0.0000806900000000, -0.0000904300000000, 0.0000252900000000 ] - [ 0.0000946800000000, 0.0002511300000000, 0.0004784000000000 ] - [ -0.0000379600000000, -0.0002976800000000, 0.0000539800000000 ] - [ -0.0001141900000000, 0.0001710500000000, -0.0000151400000000 ] - [ 0.0000504500000000, -0.0000745400000000, -0.0001971100000000 ] - [ 0.0000485700000000, 0.0000460000000000, 0.0002109400000000 ] - [ 0.0001182900000000, -0.0000647300000000, 0.0000997900000000 ] - [ 0.0039338100000000, -0.0084636100000000, 0.0005401000000000 ] - [ -0.0000779500000000, 0.0000291500000000, -0.0001153200000000 ] - [ -0.0001404100000000, 0.0000633600000000, 0.0002173100000000 ] - [ 0.0094757000000000, -0.0321525300000000, -0.0237363300000000 ] - [ 0.0000575300000000, 0.0001139500000000, 0.0002283500000000 ] - [ -0.0000920400000000, -0.0000740200000000, 0.0001312000000000 ] - [ -0.0000614700000000, 0.0001716700000000, -0.0003201300000000 ] - [ 0.0000819100000000, -0.0010037200000000, 0.0001565900000000 ] - [ -0.0000220600000000, 0.0000036800000000, 0.0000873100000000 ] - [ 0.0000144700000000, -0.0001122900000000, 0.0001432400000000 ] - [ 0.0000886000000000, 0.0001954600000000, -0.0002504900000000 ] - [ 0.0000913500000000, 0.0001171800000000, 0.0005246200000000 ] - [ 0.0001488400000000, -0.0000651900000000, 0.0000716900000000 ] - [ -0.0002865000000000, -0.0002837600000000, -0.0000265600000000 ] - [ -0.0004936000000000, -0.0003510900000000, -0.0007339800000000 ] - [ 0.0012823300000000, -0.0004022100000000, 0.0025360700000000 ] - [ -0.0000217600000000, -0.0000598900000000, 0.0003922400000000 ] - [ 0.0000263300000000, 0.0000811800000000, 0.0003145400000000 ] - [ 0.0000980700000000, -0.0002450900000000, -0.0005070400000000 ] - [ 0.0005607300000000, 0.0009425300000000, -0.0008950800000000 ] - [ 0.0003934400000000, -0.0002000800000000, -0.0002926000000000 ] - [ -0.0000903400000000, 0.0000484200000000, -0.0002266200000000 ] - [ -0.0000383500000000, 0.0001301100000000, 0.0000681800000000 ] - [ -0.0005449300000000, 0.0002540100000000, 0.0007991000000000 ] - [ 0.0003919600000000, 0.0000842200000000, -0.0003666900000000 ] - [ -0.0001620200000000, -0.0001247400000000, -0.0001333200000000 ] - [ -0.0001435500000000, 0.0001573900000000, 0.0000936900000000 ] - [ 0.0002248600000000, -0.0000717800000000, 0.0003724000000000 ] - [ -0.0000048800000000, 0.0002124300000000, -0.0001442900000000 ] - [ -0.0001485400000000, 0.0001670900000000, 0.0000934000000000 ] - [ -0.0000358800000000, 0.0001274000000000, -0.0000542100000000 ] - [ -0.0019837800000000, -0.0009811700000000, -0.0025172700000000 ] - [ -0.0000090100000000, -0.0000787900000000, -0.0001172800000000 ] - [ 0.0002214300000000, -0.0001065500000000, -0.0003528200000000 ] - [ 0.0004255900000000, 0.0003365200000000, 0.0002909500000000 ] - [ -0.0015908800000000, -0.0008817900000000, 0.0011201200000000 ] - [ -0.0000857400000000, 0.0001910900000000, -0.0000564500000000 ] - [ -0.0000588400000000, -0.0000656000000000, -0.0000950800000000 ] - [ 0.0000489500000000, 0.0000389500000000, 0.0000579600000000 ] - [ -0.0025282900000000, -0.0009950000000000, -0.0016337000000000 ] - [ -0.0001398000000000, 0.0000423600000000, -0.0001675900000000 ] - [ 0.0000225400000000, -0.0000208900000000, 0.0000058300000000 ] - [ 0.0002285000000000, 0.0000360500000000, 0.0001433100000000 ] - [ -0.0000229600000000, 0.0002425000000000, 0.0000112200000000 ] - [ -0.0027088900000000, -0.0013473700000000, 0.0020066100000000 ] - [ -0.0001039400000000, -0.0001961200000000, -0.0000682800000000 ] - [ 0.0001960300000000, -0.0000886100000000, 0.0001963800000000 ] - [ -0.0000121100000000, 0.0000351600000000, -0.0000327600000000 ] - [ 0.0000348900000000, 0.0000925500000000, -0.0000455200000000 ] - [ 0.0007165300000000, -0.0009304400000000, 0.0000521100000000 ] - [ 0.0000010800000000, 0.0003095000000000, 0.0001025000000000 ] - [ -0.0001033100000000, -0.0001464400000000, -0.0002888300000000 ] - [ 0.0008246300000000, 0.0001048200000000, 0.0004123200000000 ] - [ -0.0001134100000000, 0.0000191400000000, 0.0000865700000000 ] - [ 0.0003327800000000, 0.0002217900000000, -0.0003828200000000 ] - [ 0.0001642200000000, 0.0001616700000000, -0.0000757800000000 ] - [ -0.0002306400000000, -0.0000964800000000, 0.0000233600000000 ] - [ 0.0006215600000000, -0.0000261500000000, 0.0002948300000000 ] - [ -0.0000603200000000, -0.0000585300000000, -0.0000194300000000 ] - [ 0.0000055800000000, 0.0002609000000000, -0.0001068600000000 ] - [ -0.0005430000000000, -0.0004042300000000, -0.0001573100000000 ] - [ 0.0000910900000000, -0.0000394100000000, -0.0000207400000000 ] - [ 0.0001266100000000, 0.0001642000000000, 0.0002003500000000 ] - [ 0.0000388900000000, -0.0000941100000000, -0.0000757200000000 ] - [ -0.0000615300000000, -0.0001197300000000, -0.0000560300000000 ] - [ -0.0023512600000000, -0.0010416900000000, -0.0024650100000000 ] - [ 0.0002314100000000, 0.0003639800000000, -0.0000253900000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0007291400000000, 0.0005780400000000, 0.0002067700000000 ] - [ -0.0001429800000000, 0.0000279400000000, 0.0001220500000000 ] - [ -0.0000387600000000, -0.0001495700000000, -0.0001828500000000 ] - [ 0.0001777500000000, 0.0000817900000000, 0.0000266200000000 ] - [ -0.0001641300000000, 0.0002107000000000, -0.0003293900000000 ] - [ 0.0001965300000000, -0.0002695200000000, 0.0001481200000000 ] - [ 0.0000895900000000, -0.0000914300000000, 0.0000832200000000 ] - [ -0.0000790600000000, -0.0000350000000000, 0.0001859400000000 ] - [ 0.0000505000000000, -0.0004181600000000, -0.0007476100000000 ] - [ 0.0000462200000000, 0.0000528900000000, 0.0002133300000000 ] - [ -0.0001247600000000, -0.0001972200000000, -0.0003693300000000 ] - [ -0.0001167000000000, 0.0001029800000000, 0.0000718000000000 ] - [ -0.0003772500000000, 0.0002185400000000, 0.0000825800000000 ] - [ -0.0000756600000000, -0.0004303400000000, 0.0002161500000000 ] - [ 0.0002124600000000, -0.0001301600000000, 0.0002949800000000 ] - [ -0.0000044000000000, -0.0005078600000000, 0.0003221900000000 ] - [ 0.0001265700000000, -0.0003449600000000, 0.0001406500000000 ] - [ -0.0007922300000000, -0.0001339000000000, -0.0006960600000000 ] - [ 0.0000131300000000, -0.0000257000000000, 0.0002015100000000 ] - [ -0.0000511300000000, -0.0002158800000000, -0.0001220400000000 ] - [ -0.0000740100000000, 0.0006824500000000, 0.0002733600000000 ] - [ 0.0000517800000000, -0.0000328700000000, 0.0002256700000000 ] - [ -0.0000935700000000, 0.0000116300000000, -0.0000659600000000 ] - [ -0.0001220600000000, 0.0000161400000000, -0.0000551600000000 ] - [ 0.0000282300000000, 0.0005927600000000, -0.0008061600000000 ] - [ 0.0000886600000000, -0.0002110500000000, 0.0001401800000000 ] - [ -0.0000252200000000, 0.0000790500000000, -0.0002027400000000 ] - [ -0.0000183000000000, -0.0000366800000000, 0.0002876600000000 ] - [ 0.0002993000000000, 0.0004782100000000, -0.0000791000000000 ] - [ -0.0001306200000000, -0.0002460400000000, 0.0001846100000000 ] - [ 0.0000512000000000, 0.0007309100000000, -0.0004330500000000 ] - [ 0.0000609500000000, -0.0001644600000000, 0.0001542200000000 ] - [ 0.0068089900000000, -0.0190627800000000, -0.0480982900000000 ] - [ -0.0000710600000000, -0.0000325800000000, -0.0000880700000000 ] - [ 0.0001829800000000, -0.0000031100000000, -0.0001896300000000 ] - [ -0.0000182300000000, 0.0002267700000000, 0.0003293900000000 ] - [ 0.0004295000000000, -0.0000736500000000, 0.0000090500000000 ] - [ 0.0001979100000000, -0.0001263200000000, 0.0002879300000000 ] - [ -0.0001198300000000, 0.0000215600000000, 0.0000695100000000 ] - [ -0.0000536300000000, 0.0003243000000000, 0.0000628300000000 ] - [ -0.0001314800000000, -0.0000901700000000, 0.0000991400000000 ] - [ -0.0006070500000000, -0.0000639700000000, -0.0001993900000000 ] - [ 0.0001426200000000, 0.0000070200000000, 0.0001889100000000 ] - [ 0.0001425700000000, 0.0000284500000000, -0.0000667800000000 ] - [ -0.0005035300000000, -0.0000515500000000, -0.0006958000000000 ] - [ 0.0000170200000000, -0.0013784100000000, 0.0008761600000000 ] - [ -0.0003066800000000, -0.0010549500000000, 0.0010484400000000 ] - [ -0.0000469000000000, -0.0000872900000000, 0.0000023000000000 ] - [ -0.0000968900000000, 0.0002420800000000, -0.0002559300000000 ] - [ -0.0000554000000000, -0.0000991700000000, 0.0001885500000000 ] - [ 0.0001354800000000, 0.0000080800000000, 0.0000445000000000 ] - [ -0.0000833000000000, 0.0004807600000000, 0.0012947200000000 ] - [ 0.0001204400000000, -0.0000281000000000, 0.0007782900000000 ] - [ 0.0001450200000000, 0.0001024300000000, -0.0000038700000000 ] - [ -0.0000433300000000, -0.0000123700000000, 0.0000547000000000 ] - [ 0.0001938300000000, 0.0000278600000000, 0.0019429600000000 ] - [ -0.0001894900000000, -0.0002408700000000, 0.0001392200000000 ] - [ 0.0006628700000000, -0.0000185400000000, -0.0007512100000000 ] - [ 0.0000774600000000, -0.0001766100000000, 0.0000642600000000 ] - [ -0.0000408100000000, -0.0000688700000000, 0.0001782100000000 ] - [ 0.0001190900000000, 0.0000534100000000, 0.0001034100000000 ] - [ -0.0005481000000000, 0.0012056900000000, -0.0049533700000000 ] - [ -0.0001085000000000, 0.0000615700000000, 0.0000964700000000 ] - [ -0.0000522100000000, -0.0001466100000000, 0.0000028600000000 ] - [ -0.0084630500000000, 0.0199002400000000, 0.0295402800000000 ] - [ 0.0000512900000000, 0.0000835300000000, 0.0002277200000000 ] - [ -0.0000269500000000, -0.0000801800000000, 0.0002575000000000 ] - [ 0.0000481500000000, -0.0000941700000000, -0.0003998100000000 ] - [ 0.0003321500000000, -0.0008441900000000, -0.0029236700000000 ] - [ 0.0000072000000000, 0.0000052400000000, 0.0001750800000000 ] - [ 0.0000517300000000, -0.0000796200000000, 0.0001037100000000 ] - [ -0.0001123200000000, 0.0003186300000000, -0.0008353800000000 ] - [ 0.0000443600000000, 0.0005224500000000, 0.0002549400000000 ] - [ 0.0001879000000000, -0.0000062800000000, 0.0001297500000000 ] - [ -0.0001479800000000, -0.0001576800000000, -0.0000710200000000 ] - [ -0.0002217000000000, 0.0002064500000000, 0.0000340900000000 ] - [ 0.0000469600000000, -0.0019560100000000, -0.0040449100000000 ] - [ -0.0000337600000000, -0.0000863700000000, 0.0004321200000000 ] - [ -0.0000066000000000, -0.0001491100000000, 0.0002391000000000 ] - [ -0.0000798700000000, 0.0001136700000000, 0.0001878300000000 ] - [ 0.0002021900000000, 0.0002925000000000, -0.0002114600000000 ] - [ 0.0002678400000000, 0.0000088300000000, 0.0008453400000000 ] - [ -0.0000811700000000, 0.0000967700000000, -0.0006501700000000 ] - [ -0.0002014700000000, 0.0000668200000000, 0.0009421400000000 ] - [ 0.0007695700000000, -0.0000695000000000, 0.0000483900000000 ] - [ 0.0001309300000000, 0.0002320000000000, 0.0000414300000000 ] - [ 0.0000828100000000, 0.0001312700000000, -0.0004386900000000 ] - [ 0.0002701200000000, 0.0003636400000000, -0.0006332700000000 ] - [ -0.0000004500000000, -0.0002742300000000, -0.0000823900000000 ] - [ 0.0001419600000000, 0.0002213200000000, -0.0001425900000000 ] - [ -0.0000121300000000, -0.0001134300000000, 0.0000747500000000 ] - [ -0.0002616100000000, -0.0000038200000000, -0.0003244500000000 ] - [ 0.0016390600000000, -0.0001054100000000, 0.0033587100000000 ] - [ -0.0000026500000000, -0.0000710400000000, -0.0001580700000000 ] - [ 0.0001155900000000, 0.0004513300000000, 0.0000902900000000 ] - [ -0.0000257700000000, -0.0002563700000000, -0.0002217700000000 ] - [ -0.0037517800000000, -0.0017745300000000, 0.0057138400000000 ] - [ -0.0001762700000000, 0.0000411700000000, 0.0000402200000000 ] - [ -0.0001646700000000, 0.0000434800000000, -0.0000839800000000 ] - [ 0.0004427800000000, 0.0001745200000000, -0.0004000600000000 ] - [ 0.0055469000000000, 0.0018020900000000, 0.0049844200000000 ] - [ -0.0001266600000000, 0.0001262800000000, -0.0001565400000000 ] - [ 0.0001158700000000, 0.0000867000000000, 0.0000256300000000 ] - [ -0.0001164700000000, -0.0000884100000000, -0.0003502200000000 ] - [ -0.0000300900000000, 0.0001782800000000, -0.0000902200000000 ] - [ -0.0054677700000000, -0.0023240100000000, 0.0051896000000000 ] - [ 0.0003737800000000, 0.0001253400000000, -0.0004121400000000 ] - [ 0.0000652200000000, 0.0002379800000000, 0.0001230300000000 ] - [ -0.0001588600000000, 0.0000330600000000, -0.0000254900000000 ] - [ 0.0000092900000000, 0.0000240100000000, -0.0003980200000000 ] - [ 0.0000924700000000, -0.0001243100000000, 0.0003843000000000 ] - [ -0.0000414600000000, 0.0001743000000000, 0.0000193100000000 ] - [ 0.0001407700000000, 0.0001037300000000, -0.0004389000000000 ] - [ -0.0011196200000000, -0.0003108400000000, 0.0000694500000000 ] - [ 0.0000598300000000, -0.0000568500000000, -0.0000527300000000 ] - [ -0.0000662300000000, 0.0005847000000000, 0.0003765500000000 ] - [ -0.0001060000000000, -0.0001350400000000, -0.0000437700000000 ] - [ -0.0001446700000000, -0.0002837100000000, -0.0003771100000000 ] - [ -0.0000571200000000, 0.0001607200000000, 0.0004828100000000 ] - [ 0.0001815800000000, -0.0001180900000000, 0.0001365800000000 ] - [ -0.0000656300000000, 0.0001364900000000, -0.0001503200000000 ] - [ -0.0002947400000000, 0.0002783900000000, 0.0005532200000000 ] - [ -0.0000985700000000, 0.0000830600000000, -0.0003821100000000 ] - [ 0.0000398400000000, -0.0002294000000000, 0.0000286600000000 ] - [ 0.0001416100000000, 0.0002532200000000, 0.0002014200000000 ] - [ -0.0002973800000000, -0.0000973900000000, -0.0005976300000000 ] - [ 0.0056697600000000, 0.0020103600000000, 0.0075320100000000 ] - [ 0.0000597400000000, 0.0000201300000000, 0.0002010200000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0004849200000000, -0.0005757800000000, -0.0001592600000000 ] - [ -0.0000973600000000, -0.0000282500000000, -0.0001723800000000 ] - [ 0.0002803100000000, 0.0001504700000000, 0.0001323200000000 ] - [ 0.0000597100000000, -0.0000863200000000, 0.0000234800000000 ] - [ 0.0001028700000000, -0.0002902500000000, 0.0003011800000000 ] - [ -0.0002463700000000, 0.0003435400000000, -0.0001193300000000 ] - [ -0.0000374100000000, 0.0000192600000000, -0.0000551400000000 ] - [ 0.0001282700000000, 0.0001051300000000, -0.0002126100000000 ] - [ 0.0000568800000000, 0.0003928600000000, 0.0007027800000000 ] - [ 0.0000647100000000, -0.0000243900000000, -0.0001750000000000 ] - [ 0.0000212400000000, 0.0001753700000000, 0.0004018700000000 ] - [ 0.0000073900000000, -0.0000798600000000, -0.0001089000000000 ] - [ 0.0000790200000000, -0.0000661800000000, -0.0000159600000000 ] - [ -0.0002211100000000, 0.0002686200000000, -0.0002711000000000 ] - [ 0.0000877900000000, 0.0002753700000000, -0.0003574000000000 ] - [ 0.0003015500000000, 0.0003556900000000, -0.0002565300000000 ] - [ -0.0001137000000000, 0.0003249200000000, -0.0001800300000000 ] - [ 0.0008216800000000, 0.0001580700000000, 0.0007361400000000 ] - [ -0.0000314900000000, 0.0000042100000000, -0.0001580300000000 ] - [ 0.0000300000000000, 0.0002344900000000, 0.0000774000000000 ] - [ 0.0002508600000000, -0.0005853400000000, -0.0004406100000000 ] - [ 0.0001231600000000, -0.0000600000000000, -0.0000592300000000 ] - [ -0.0000834800000000, 0.0000760500000000, 0.0002313400000000 ] - [ -0.0000532200000000, -0.0001103400000000, -0.0001109600000000 ] - [ -0.0000037400000000, -0.0004872700000000, 0.0008591700000000 ] - [ -0.0000427200000000, 0.0000928200000000, -0.0001847500000000 ] - [ -0.0000152000000000, 0.0000261200000000, 0.0001473400000000 ] - [ -0.0000239100000000, -0.0000731700000000, -0.0002325900000000 ] - [ -0.0003390100000000, -0.0000645700000000, 0.0000786300000000 ] - [ 0.0000874200000000, -0.0001620300000000, -0.0001826600000000 ] - [ -0.0000090500000000, -0.0003277500000000, 0.0004360200000000 ] - [ -0.0000157400000000, -0.0002484000000000, -0.0001507300000000 ] - [ -0.0072727900000000, 0.0199644200000000, 0.0487539000000000 ] - [ -0.0000881700000000, 0.0000462800000000, -0.0000878500000000 ] - [ -0.0000229200000000, -0.0000117100000000, 0.0000113300000000 ] - [ 0.0001771500000000, -0.0002104200000000, -0.0001523100000000 ] - [ -0.0001492700000000, 0.0001891600000000, -0.0003431600000000 ] - [ 0.0000788600000000, 0.0000122200000000, 0.0000447600000000 ] - [ -0.0001569200000000, 0.0000895200000000, 0.0002615200000000 ] - [ -0.0002254000000000, -0.0004379400000000, -0.0003941300000000 ] - [ -0.0001459500000000, -0.0000055100000000, -0.0000913400000000 ] - [ 0.0003266500000000, 0.0001611400000000, 0.0001889100000000 ] - [ 0.0001333700000000, -0.0001019300000000, -0.0001927200000000 ] - [ 0.0001331700000000, 0.0000624000000000, 0.0000680100000000 ] - [ 0.0004955700000000, -0.0000245300000000, 0.0003013300000000 ] - [ -0.0000401000000000, 0.0014328900000000, -0.0004427700000000 ] - [ 0.0003150400000000, 0.0009676400000000, -0.0006419000000000 ] - [ 0.0000594100000000, 0.0001645200000000, -0.0003995500000000 ] - [ -0.0000401400000000, -0.0001683100000000, -0.0000449400000000 ] - [ -0.0000742900000000, 0.0000417800000000, 0.0001213400000000 ] - [ -0.0000031100000000, 0.0000486800000000, 0.0002634900000000 ] - [ 0.0002147800000000, -0.0005390900000000, -0.0016416900000000 ] - [ 0.0000335900000000, -0.0000868400000000, -0.0008296800000000 ] - [ 0.0000114100000000, 0.0000084200000000, 0.0000286000000000 ] - [ -0.0001128400000000, -0.0001010300000000, -0.0000282000000000 ] - [ -0.0003426800000000, 0.0000736200000000, -0.0019368900000000 ] - [ 0.0000734800000000, 0.0000186000000000, 0.0001988900000000 ] - [ -0.0007842600000000, 0.0002403200000000, 0.0004207300000000 ] - [ 0.0000366700000000, -0.0000416900000000, -0.0004011400000000 ] - [ 0.0001535200000000, 0.0002849400000000, 0.0001589200000000 ] - [ 0.0000866000000000, 0.0000673200000000, 0.0001177300000000 ] - [ 0.0007633400000000, -0.0013466600000000, 0.0048092100000000 ] - [ -0.0000951100000000, 0.0000593800000000, -0.0003189100000000 ] - [ -0.0001496800000000, 0.0000235700000000, 0.0002156000000000 ] - [ 0.0088678800000000, -0.0209242000000000, -0.0304875800000000 ] - [ 0.0000088900000000, 0.0000674900000000, 0.0001755700000000 ] - [ -0.0000326200000000, -0.0000718400000000, 0.0001445000000000 ] - [ -0.0001074800000000, 0.0002432700000000, -0.0000022700000000 ] - [ -0.0003952600000000, 0.0007990600000000, 0.0026565700000000 ] - [ -0.0000729100000000, 0.0000337000000000, 0.0000530700000000 ] - [ 0.0000153000000000, 0.0000387800000000, 0.0001257100000000 ] - [ 0.0001827500000000, -0.0002864900000000, 0.0006153000000000 ] - [ 0.0002806900000000, -0.0004394400000000, -0.0002952100000000 ] - [ 0.0001359500000000, -0.0000733900000000, -0.0000834100000000 ] - [ -0.0001751000000000, 0.0002381900000000, 0.0001179500000000 ] - [ -0.0001006500000000, -0.0002856200000000, -0.0000763700000000 ] - [ -0.0000621100000000, 0.0020226200000000, 0.0034806400000000 ] - [ -0.0000211800000000, -0.0000447900000000, 0.0001113500000000 ] - [ 0.0000618900000000, 0.0002816100000000, 0.0003007100000000 ] - [ 0.0001342800000000, -0.0002464400000000, -0.0007287500000000 ] - [ -0.0000513100000000, -0.0000989000000000, 0.0005977300000000 ] - [ -0.0001350300000000, -0.0001819500000000, -0.0012623400000000 ] - [ -0.0000526800000000, 0.0000757800000000, 0.0002316000000000 ] - [ 0.0000717200000000, -0.0002302300000000, -0.0005242500000000 ] - [ -0.0004362200000000, -0.0000710900000000, 0.0002647200000000 ] - [ 0.0001905200000000, -0.0000720200000000, -0.0003650100000000 ] - [ -0.0004065800000000, -0.0002928600000000, 0.0001156800000000 ] - [ -0.0005892200000000, -0.0001962300000000, 0.0009490800000000 ] - [ 0.0000507500000000, 0.0000102000000000, -0.0000678500000000 ] - [ -0.0000904100000000, 0.0000395400000000, 0.0002928800000000 ] - [ -0.0000411900000000, -0.0001425400000000, 0.0000820900000000 ] - [ 0.0002108700000000, 0.0002668500000000, 0.0001720200000000 ] - [ -0.0016510900000000, 0.0001467000000000, -0.0033285000000000 ] - [ -0.0000180400000000, 0.0000338000000000, 0.0001800200000000 ] - [ -0.0001032900000000, -0.0004190100000000, -0.0000618800000000 ] - [ 0.0000452300000000, 0.0002250400000000, 0.0001993200000000 ] - [ 0.0039226300000000, 0.0017397900000000, -0.0057080200000000 ] - [ 0.0001876100000000, 0.0000443900000000, -0.0001832800000000 ] - [ 0.0001432000000000, -0.0001284700000000, -0.0000575800000000 ] - [ -0.0004565200000000, -0.0000867100000000, 0.0005380900000000 ] - [ -0.0055071000000000, -0.0018084400000000, -0.0048136300000000 ] - [ 0.0000000600000000, -0.0000210100000000, 0.0001213800000000 ] - [ 0.0000072800000000, -0.0001926500000000, -0.0000554600000000 ] - [ 0.0002424600000000, 0.0001965900000000, 0.0003816800000000 ] - [ -0.0001782900000000, -0.0000581400000000, 0.0002339800000000 ] - [ 0.0050671300000000, 0.0021655000000000, -0.0051913800000000 ] - [ -0.0001653500000000, -0.0000072200000000, 0.0002659900000000 ] - [ 0.0001459700000000, -0.0003503900000000, 0.0000251300000000 ] - [ 0.0000812600000000, -0.0000833800000000, 0.0000293600000000 ] - [ -0.0000856700000000, 0.0000265900000000, 0.0003935800000000 ] - [ -0.0000355200000000, 0.0000732700000000, -0.0003860300000000 ] - [ 0.0001189800000000, -0.0001151300000000, -0.0000166800000000 ] - [ -0.0001839600000000, -0.0000870500000000, 0.0003104600000000 ] - [ 0.0010578500000000, 0.0002919700000000, 0.0000655200000000 ] - [ -0.0000213800000000, 0.0000788300000000, 0.0001805200000000 ] - [ 0.0001151900000000, -0.0006024900000000, -0.0005055200000000 ] - [ -0.0000059700000000, 0.0003774800000000, 0.0000774000000000 ] - [ 0.0000327300000000, 0.0000377100000000, 0.0003446600000000 ] - [ 0.0001810500000000, 0.0001016700000000, -0.0005123100000000 ] - [ -0.0000723600000000, -0.0001236300000000, -0.0001046000000000 ] - [ -0.0000334100000000, 0.0000479300000000, 0.0000919300000000 ] - [ 0.0001856300000000, -0.0004638600000000, -0.0004976000000000 ] - [ 0.0002021200000000, 0.0000959000000000, 0.0004392500000000 ] - [ 0.0000615500000000, 0.0000521600000000, -0.0000795600000000 ] - [ -0.0001090700000000, -0.0002208200000000, -0.0000206200000000 ] - [ 0.0003245200000000, 0.0000667600000000, 0.0004153200000000 ] - [ -0.0058927800000000, -0.0020615000000000, -0.0078833900000000 ] - [ -0.0000874600000000, -0.0000455300000000, -0.0000232400000000 ]- atom: 37 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002829800000000, -0.0006470400000000, 0.0001431700000000 ] - [ -0.0002172200000000, -0.0000322900000000, 0.0000870100000000 ] - [ -0.0001506900000000, -0.0000784400000000, 0.0000197000000000 ] - [ 0.0001395200000000, -0.0000269300000000, -0.0000259900000000 ] - [ -0.0000192200000000, -0.0004354100000000, 0.0003304600000000 ] - [ 0.0000398900000000, 0.0000944700000000, -0.0001486100000000 ] - [ -0.0000478200000000, -0.0003470800000000, 0.0000920600000000 ] - [ 0.0000590700000000, 0.0000572900000000, -0.0000572200000000 ] - [ 0.0002870800000000, 0.0000603200000000, 0.0000653800000000 ] - [ -0.0002914500000000, -0.0001006400000000, -0.0004373100000000 ] - [ 0.0003737800000000, -0.0005261700000000, -0.0002064500000000 ] - [ -0.0000641600000000, 0.0000396700000000, -0.0000938100000000 ] - [ -0.0002819900000000, 0.0000767000000000, -0.0001177400000000 ] - [ -0.0000343700000000, -0.0000297600000000, -0.0000783900000000 ] - [ 0.0001174800000000, 0.0000626300000000, -0.0000497900000000 ] - [ 0.0002833600000000, -0.0002157800000000, 0.0002340400000000 ] - [ -0.0000161700000000, -0.0000022200000000, -0.0001164900000000 ] - [ 0.0002869100000000, 0.0003825800000000, -0.0004128500000000 ] - [ -0.0005637000000000, 0.0002322900000000, -0.0004446200000000 ] - [ 0.0000942100000000, 0.0000923700000000, 0.0000059400000000 ] - [ 0.0008592000000000, 0.0008841300000000, -0.0012317800000000 ] - [ 0.0002291200000000, -0.0008779000000000, -0.0006098700000000 ] - [ -0.0000545000000000, 0.0000607500000000, 0.0001544100000000 ] - [ -0.0001026100000000, -0.0000686800000000, -0.0001562100000000 ] - [ -0.0006175700000000, 0.0001670500000000, 0.0001701900000000 ] - [ 0.0000835800000000, -0.0000579000000000, -0.0001071100000000 ] - [ -0.0001005400000000, 0.0000545800000000, 0.0000540900000000 ] - [ 0.0002861000000000, -0.0000738000000000, 0.0001784900000000 ] - [ -0.0002721600000000, 0.0010320100000000, -0.0008803600000000 ] - [ 0.0000337800000000, -0.0002800700000000, -0.0001629200000000 ] - [ 0.0000225800000000, 0.0001816900000000, 0.0000259600000000 ] - [ -0.0000629500000000, -0.0001433100000000, -0.0001103900000000 ] - [ 0.0001553100000000, 0.0001180200000000, 0.0003763600000000 ] - [ -0.0001150600000000, 0.0000530000000000, -0.0001461700000000 ] - [ 0.0000832600000000, 0.0000303400000000, -0.0000689100000000 ] - [ 0.0003367800000000, 0.0000530300000000, 0.0000000200000000 ] - [ -0.0718246600000000, -0.0184378000000000, 0.0306149600000000 ] - [ 0.0002498000000000, -0.0000717600000000, 0.0001926700000000 ] - [ -0.0001939500000000, 0.0000762400000000, 0.0002039100000000 ] - [ -0.0001434800000000, -0.0000836800000000, -0.0002647800000000 ] - [ -0.0000436600000000, -0.0001058600000000, -0.0001656700000000 ] - [ 0.0021637200000000, 0.0006693500000000, -0.0041578800000000 ] - [ 0.0001463900000000, -0.0000836600000000, -0.0000272700000000 ] - [ 0.0000992000000000, 0.0000455000000000, 0.0000537800000000 ] - [ -0.0000606800000000, -0.0000415800000000, -0.0003780200000000 ] - [ 0.0000502700000000, 0.0000601500000000, 0.0001411900000000 ] - [ 0.0000817900000000, 0.0000907900000000, 0.0002044800000000 ] - [ 0.0000469900000000, -0.0000171200000000, -0.0002198500000000 ] - [ 0.0010974900000000, 0.0009046400000000, 0.0000926800000000 ] - [ -0.0002155700000000, 0.0000208700000000, 0.0002366500000000 ] - [ 0.0000464300000000, 0.0000204600000000, 0.0002649000000000 ] - [ 0.0000888700000000, -0.0000618400000000, -0.0001687300000000 ] - [ 0.0001197900000000, -0.0000425800000000, -0.0000843400000000 ] - [ 0.0001433600000000, 0.0006179600000000, -0.0003340500000000 ] - [ -0.0000496700000000, -0.0000239900000000, 0.0000278700000000 ] - [ 0.0010419900000000, 0.0005384300000000, 0.0003361200000000 ] - [ -0.0000175000000000, -0.0001237900000000, 0.0001541900000000 ] - [ -0.0002341700000000, 0.0003540000000000, -0.0005847700000000 ] - [ 0.0001505100000000, -0.0009682000000000, 0.0006224400000000 ] - [ 0.0000467700000000, 0.0001159200000000, 0.0001954400000000 ] - [ 0.0001073300000000, 0.0000737300000000, 0.0000377300000000 ] - [ 0.0000719900000000, 0.0000035800000000, -0.0000765500000000 ] - [ 0.0003662600000000, 0.0003673200000000, -0.0003687200000000 ] - [ -0.0002255300000000, -0.0001076800000000, 0.0000950900000000 ] - [ 0.0000898200000000, -0.0001284400000000, -0.0002527900000000 ] - [ 0.0000120100000000, 0.0000490600000000, 0.0002981200000000 ] - [ -0.0000584800000000, -0.0000178800000000, 0.0002596500000000 ] - [ -0.0001052400000000, 0.0000438900000000, -0.0002699500000000 ] - [ 0.0025666700000000, 0.0011362100000000, 0.0000770200000000 ] - [ -0.0000343500000000, 0.0000119800000000, 0.0001354100000000 ] - [ -0.0000103200000000, -0.0000108300000000, -0.0001110000000000 ] - [ 0.0000143100000000, 0.0000378900000000, -0.0000940700000000 ] - [ 0.0015307900000000, -0.0001076700000000, 0.0002666200000000 ] - [ -0.0001965800000000, -0.0000278700000000, 0.0001366000000000 ] - [ -0.0001408800000000, 0.0001151500000000, -0.0000368000000000 ] - [ -0.0001720100000000, -0.0000236700000000, -0.0000895600000000 ] - [ 0.0008248300000000, 0.0000839200000000, -0.0003191300000000 ] - [ -0.0001025200000000, -0.0001765300000000, 0.0001394700000000 ] - [ 0.0000470400000000, 0.0000134800000000, 0.0003770700000000 ] - [ 0.0000500000000000, 0.0000117400000000, -0.0003998100000000 ] - [ 0.0000709000000000, 0.0000713500000000, 0.0004379500000000 ] - [ 0.0011105400000000, -0.0012534900000000, 0.0018960800000000 ] - [ 0.0000941700000000, 0.0006665700000000, -0.0007908700000000 ] - [ -0.0000362800000000, -0.0001680000000000, 0.0000494000000000 ] - [ -0.0000659500000000, -0.0000446600000000, 0.0001759500000000 ] - [ 0.0003045600000000, -0.0001313600000000, 0.0001620100000000 ] - [ -0.0004060400000000, 0.0002093200000000, -0.0001250700000000 ] - [ -0.0002063700000000, 0.0000220700000000, 0.0002570600000000 ] - [ 0.0554435600000000, 0.0212354100000000, -0.0242026900000000 ] - [ -0.0004165700000000, 0.0002205400000000, 0.0002174900000000 ] - [ -0.0000067700000000, -0.0001585500000000, -0.0000198200000000 ] - [ -0.0000115300000000, 0.0001898900000000, 0.0000418100000000 ] - [ -0.0007921900000000, -0.0001180200000000, -0.0001149100000000 ] - [ 0.0003449000000000, 0.0003040800000000, -0.0000068700000000 ] - [ 0.0001609500000000, 0.0005010100000000, 0.0000374600000000 ] - [ -0.0000663500000000, -0.0000232800000000, 0.0001039000000000 ] - [ 0.0001238500000000, -0.0001004200000000, 0.0000474300000000 ] - [ -0.0000921500000000, -0.0000764700000000, 0.0001579900000000 ] - [ 0.0000936000000000, -0.0000800800000000, -0.0001762000000000 ] - [ -0.0002589700000000, -0.0000617900000000, 0.0002088900000000 ] - [ 0.0018607100000000, -0.0010489000000000, 0.0010987600000000 ] - [ -0.0000935100000000, 0.0000214900000000, 0.0000444000000000 ] - [ 0.0001563100000000, -0.0000550900000000, -0.0000711000000000 ] - [ -0.0000286300000000, 0.0000965700000000, 0.0000834100000000 ] - [ 0.0000313300000000, 0.0000874200000000, 0.0001933400000000 ] - [ -0.0015616400000000, 0.0002147400000000, -0.0000880300000000 ] - [ 0.0001189900000000, 0.0000377500000000, 0.0001246000000000 ] - [ -0.0000047200000000, -0.0000925900000000, 0.0000083000000000 ] - [ 0.0002079600000000, 0.0001269900000000, -0.0000173900000000 ] - [ -0.0007464600000000, 0.0003247000000000, -0.0004175800000000 ] - [ 0.0001757600000000, 0.0000935800000000, 0.0000682400000000 ] - [ -0.0000263300000000, 0.0000288400000000, 0.0000602900000000 ] - [ -0.0000047200000000, -0.0000073700000000, 0.0002371500000000 ] - [ -0.0003103700000000, -0.0006517200000000, 0.0002648000000000 ] - [ 0.0000667000000000, -0.0000315500000000, 0.0001342100000000 ] - [ -0.0001928600000000, -0.0001104500000000, -0.0003885100000000 ] - [ -0.0001315000000000, -0.0004629700000000, -0.0006229300000000 ] - [ 0.0028593500000000, -0.0022226000000000, -0.0026496200000000 ] - [ -0.0001019000000000, 0.0001995100000000, 0.0000728700000000 ] - [ 0.0001383200000000, -0.0001138500000000, 0.0000875100000000 ] - [ -0.0001023900000000, 0.0000913900000000, 0.0000092300000000 ] - [ 0.0018502100000000, -0.0006534600000000, -0.0009899600000000 ] - [ -0.0000688900000000, 0.0000458300000000, 0.0001527800000000 ] - [ 0.0004821100000000, -0.0002644300000000, -0.0002164900000000 ] - [ -0.0000804800000000, -0.0000041600000000, 0.0000639800000000 ] - [ 0.0017927700000000, -0.0014122100000000, 0.0011101200000000 ] - [ -0.0002936200000000, 0.0000249900000000, 0.0001034100000000 ] - [ 0.0001526700000000, -0.0000558600000000, 0.0001526500000000 ]- atom: 37 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0005250500000000, 0.0006490800000000, -0.0000904700000000 ] - [ -0.0000280300000000, 0.0000256500000000, -0.0001387400000000 ] - [ 0.0003890900000000, 0.0000838200000000, -0.0000707000000000 ] - [ 0.0001045000000000, 0.0000212500000000, 0.0000790100000000 ] - [ -0.0000357900000000, 0.0003700300000000, -0.0003604300000000 ] - [ -0.0000939100000000, -0.0000268800000000, 0.0001762600000000 ] - [ 0.0000943900000000, 0.0002850800000000, -0.0000641000000000 ] - [ -0.0000041800000000, 0.0000099400000000, 0.0000280800000000 ] - [ -0.0001708900000000, -0.0000834700000000, -0.0001005900000000 ] - [ 0.0004052200000000, 0.0001211700000000, 0.0004621700000000 ] - [ -0.0004867500000000, 0.0004981200000000, 0.0002405300000000 ] - [ -0.0000506300000000, -0.0000145700000000, 0.0000583500000000 ] - [ -0.0000140100000000, 0.0000709600000000, 0.0001820500000000 ] - [ -0.0002594900000000, -0.0001180600000000, 0.0000119200000000 ] - [ 0.0001766400000000, 0.0000860600000000, -0.0000166000000000 ] - [ 0.0000146500000000, 0.0000668900000000, -0.0001697500000000 ] - [ 0.0000212400000000, -0.0000104700000000, 0.0000727000000000 ] - [ -0.0002798700000000, -0.0003674800000000, 0.0004544800000000 ] - [ 0.0005522200000000, -0.0002434700000000, 0.0004851600000000 ] - [ -0.0000986600000000, -0.0000793400000000, -0.0000496900000000 ] - [ -0.0006391400000000, -0.0007684100000000, 0.0010471100000000 ] - [ -0.0000610400000000, 0.0007941300000000, 0.0007784400000000 ] - [ -0.0001140900000000, 0.0000275000000000, 0.0000106800000000 ] - [ -0.0000665300000000, -0.0000194700000000, -0.0000088000000000 ] - [ 0.0006692600000000, -0.0000559100000000, -0.0001074600000000 ] - [ -0.0000265400000000, -0.0000556200000000, 0.0000530000000000 ] - [ 0.0000434000000000, 0.0000601800000000, -0.0001075100000000 ] - [ -0.0003408400000000, -0.0000409200000000, -0.0001231200000000 ] - [ 0.0002210200000000, -0.0005892800000000, 0.0008575300000000 ] - [ -0.0000796200000000, -0.0001305100000000, 0.0001543300000000 ] - [ 0.0000245200000000, 0.0002315200000000, -0.0000343700000000 ] - [ 0.0001082900000000, -0.0002666500000000, 0.0001183100000000 ] - [ -0.0003117100000000, -0.0001382600000000, -0.0002020800000000 ] - [ -0.0000419200000000, -0.0000326100000000, -0.0000274700000000 ] - [ 0.0000731000000000, -0.0000496900000000, -0.0001063900000000 ] - [ -0.0001781800000000, -0.0000334200000000, 0.0001720800000000 ] - [ 0.0703450500000000, 0.0173856000000000, -0.0297866700000000 ] - [ 0.0000333300000000, -0.0000429800000000, 0.0001391400000000 ] - [ -0.0000887800000000, 0.0000391900000000, 0.0001277100000000 ] - [ -0.0001390600000000, -0.0000317600000000, -0.0000671800000000 ] - [ -0.0002324600000000, 0.0000155500000000, 0.0001622900000000 ] - [ -0.0023889400000000, -0.0005965800000000, 0.0040721600000000 ] - [ 0.0001289200000000, -0.0000076300000000, 0.0000315200000000 ] - [ 0.0001762800000000, 0.0000463400000000, -0.0000577300000000 ] - [ 0.0000473100000000, -0.0000392200000000, -0.0000266400000000 ] - [ -0.0000628000000000, 0.0000196600000000, 0.0002612800000000 ] - [ -0.0000678600000000, -0.0001668300000000, 0.0001978100000000 ] - [ -0.0000354700000000, 0.0000961000000000, -0.0001835900000000 ] - [ -0.0012401900000000, -0.0008408600000000, -0.0003909600000000 ] - [ 0.0000899800000000, -0.0000697000000000, 0.0000773300000000 ] - [ 0.0000775000000000, 0.0000284400000000, 0.0000482700000000 ] - [ 0.0000355800000000, 0.0000128900000000, -0.0001449900000000 ] - [ 0.0000373600000000, -0.0000762600000000, 0.0000545200000000 ] - [ 0.0000135600000000, -0.0004992900000000, 0.0003639400000000 ] - [ -0.0001083700000000, -0.0000942200000000, 0.0000008300000000 ] - [ -0.0012075300000000, -0.0004383600000000, -0.0003657400000000 ] - [ -0.0000958300000000, -0.0000933300000000, 0.0001885700000000 ] - [ 0.0001189300000000, -0.0001340500000000, 0.0002370000000000 ] - [ -0.0000369700000000, 0.0007427600000000, -0.0009550600000000 ] - [ 0.0000669500000000, 0.0001024100000000, 0.0001475500000000 ] - [ 0.0000945400000000, 0.0000435400000000, 0.0001876000000000 ] - [ 0.0001325600000000, -0.0001214900000000, -0.0001452000000000 ] - [ -0.0005696800000000, -0.0002505500000000, 0.0001445000000000 ] - [ 0.0000224500000000, -0.0000094400000000, 0.0001294700000000 ] - [ -0.0000279500000000, -0.0000233900000000, -0.0001559400000000 ] - [ 0.0000497200000000, 0.0001045600000000, 0.0001095200000000 ] - [ -0.0000041100000000, -0.0001349100000000, 0.0001490200000000 ] - [ 0.0000443500000000, 0.0001093600000000, -0.0001331700000000 ] - [ -0.0026758300000000, -0.0012018600000000, -0.0003236000000000 ] - [ -0.0000332900000000, 0.0000247300000000, 0.0000889000000000 ] - [ 0.0000776000000000, -0.0000249600000000, 0.0003345900000000 ] - [ 0.0000531500000000, -0.0000015500000000, -0.0001301100000000 ] - [ -0.0011964400000000, 0.0001904700000000, -0.0003191200000000 ] - [ 0.0005190800000000, -0.0000584700000000, -0.0000809700000000 ] - [ -0.0001827200000000, -0.0000283400000000, 0.0000906100000000 ] - [ -0.0001509000000000, -0.0000627000000000, 0.0000360200000000 ] - [ -0.0008730900000000, 0.0000506500000000, -0.0002216100000000 ] - [ 0.0000465900000000, 0.0000390800000000, 0.0003988100000000 ] - [ 0.0000073100000000, 0.0001222900000000, 0.0001626400000000 ] - [ 0.0000051700000000, -0.0001477500000000, -0.0001392100000000 ] - [ 0.0000691300000000, 0.0001103000000000, -0.0000169400000000 ] - [ -0.0009599500000000, 0.0010597400000000, -0.0023010200000000 ] - [ -0.0002326100000000, -0.0004813300000000, 0.0003671800000000 ] - [ -0.0001048000000000, -0.0000158100000000, 0.0003703300000000 ] - [ 0.0003980400000000, -0.0001114800000000, 0.0001334300000000 ] - [ 0.0000276800000000, 0.0002857300000000, -0.0004692600000000 ] - [ 0.0000802200000000, -0.0003637000000000, -0.0001836000000000 ] - [ -0.0001246600000000, 0.0001330200000000, 0.0000533700000000 ] - [ -0.0535442900000000, -0.0204968400000000, 0.0230193100000000 ] - [ 0.0004752300000000, 0.0000430900000000, -0.0000555200000000 ] - [ -0.0000513900000000, -0.0001064100000000, 0.0001808900000000 ] - [ -0.0000452600000000, 0.0000743300000000, -0.0002040800000000 ] - [ 0.0007752600000000, 0.0001466800000000, 0.0000969000000000 ] - [ -0.0003537500000000, -0.0003278900000000, 0.0000246700000000 ] - [ -0.0001458200000000, -0.0004672000000000, -0.0000186200000000 ] - [ 0.0000799700000000, -0.0000061800000000, -0.0001214900000000 ] - [ -0.0001041500000000, 0.0000133500000000, 0.0000921300000000 ] - [ 0.0001124600000000, 0.0001634000000000, -0.0002971400000000 ] - [ -0.0001129700000000, -0.0000102100000000, 0.0000375200000000 ] - [ 0.0002370500000000, 0.0001499000000000, -0.0000693100000000 ] - [ -0.0020242400000000, 0.0010025000000000, -0.0011321300000000 ] - [ -0.0000272000000000, 0.0000835700000000, -0.0000842500000000 ] - [ -0.0000348400000000, -0.0000521600000000, 0.0000298700000000 ] - [ 0.0001494500000000, 0.0000090100000000, -0.0000429100000000 ] - [ -0.0002492600000000, 0.0000333100000000, -0.0000502500000000 ] - [ 0.0013267000000000, -0.0003299200000000, -0.0000507000000000 ] - [ 0.0000985800000000, 0.0000821500000000, -0.0002658000000000 ] - [ 0.0002219900000000, -0.0000295600000000, 0.0001347800000000 ] - [ -0.0002971200000000, -0.0001716700000000, 0.0000234100000000 ] - [ 0.0006506900000000, -0.0002749900000000, 0.0004057000000000 ] - [ -0.0000848200000000, -0.0001376000000000, -0.0000751100000000 ] - [ 0.0001161000000000, 0.0000146700000000, -0.0000547600000000 ] - [ -0.0000331400000000, 0.0000288200000000, -0.0003648900000000 ] - [ 0.0002722600000000, 0.0006217000000000, -0.0001288400000000 ] - [ -0.0000307700000000, 0.0000505700000000, -0.0000051900000000 ] - [ 0.0002260100000000, 0.0000889100000000, 0.0002588200000000 ] - [ 0.0000235900000000, 0.0007003100000000, 0.0006522600000000 ] - [ -0.0030122100000000, 0.0020462700000000, 0.0026951600000000 ] - [ 0.0002091700000000, 0.0000466500000000, -0.0001118800000000 ] - [ -0.0000304300000000, -0.0001323600000000, -0.0000490500000000 ] - [ 0.0000113600000000, 0.0000766300000000, -0.0000679000000000 ] - [ -0.0019376800000000, 0.0005012800000000, 0.0010561600000000 ] - [ 0.0001599200000000, 0.0001230000000000, -0.0000941900000000 ] - [ -0.0003890600000000, 0.0000928500000000, 0.0001566500000000 ] - [ 0.0001220300000000, 0.0000211700000000, 0.0001175400000000 ] - [ -0.0017621800000000, 0.0014275400000000, -0.0013144500000000 ] - [ 0.0002493500000000, -0.0000071800000000, -0.0002839900000000 ] - [ -0.0001953200000000, 0.0000380300000000, 0.0000291400000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0009801100000000, 0.0005825600000000, 0.0000204700000000 ] - [ -0.0000492500000000, -0.0002005900000000, 0.0000513500000000 ] - [ -0.0006144800000000, 0.0003399200000000, 0.0003402700000000 ] - [ 0.0001524300000000, 0.0001040500000000, -0.0000080600000000 ] - [ -0.0001150700000000, 0.0001864700000000, -0.0002947700000000 ] - [ 0.0000188700000000, -0.0000924600000000, -0.0000357300000000 ] - [ -0.0007399300000000, 0.0013442800000000, -0.0000746400000000 ] - [ 0.0000347500000000, 0.0001807700000000, -0.0000540400000000 ] - [ -0.0000561300000000, 0.0001667800000000, 0.0000639800000000 ] - [ 0.0000329200000000, -0.0006718800000000, -0.0001673200000000 ] - [ -0.0001440000000000, 0.0000305800000000, 0.0001286800000000 ] - [ -0.0000713800000000, 0.0001393800000000, -0.0000526000000000 ] - [ -0.0001504400000000, -0.0001103100000000, -0.0000144300000000 ] - [ -0.0001231700000000, -0.0000226300000000, -0.0001155300000000 ] - [ 0.0001776200000000, 0.0002425200000000, -0.0000639600000000 ] - [ 0.0000089200000000, -0.0000975800000000, 0.0001183800000000 ] - [ -0.0000356500000000, -0.0000324400000000, -0.0000683500000000 ] - [ 0.0002629500000000, -0.0006019800000000, -0.0000937700000000 ] - [ -0.0005825200000000, 0.0004345100000000, -0.0005991100000000 ] - [ 0.0000547000000000, 0.0002149200000000, -0.0000022600000000 ] - [ 0.0004972200000000, -0.0006335500000000, -0.0005182400000000 ] - [ 0.0001000700000000, 0.0000934200000000, 0.0002075600000000 ] - [ -0.0000599000000000, 0.0002011100000000, 0.0001375100000000 ] - [ -0.0000919800000000, 0.0000012800000000, -0.0001232100000000 ] - [ 0.0001425700000000, -0.0008492100000000, 0.0001327600000000 ] - [ 0.0000484000000000, -0.0000517400000000, -0.0000724300000000 ] - [ -0.0000052000000000, 0.0003471200000000, 0.0000315200000000 ] - [ -0.0001947700000000, -0.0000326100000000, -0.0002395300000000 ] - [ 0.0024328500000000, 0.0008396600000000, -0.0035588400000000 ] - [ -0.0000672200000000, -0.0003022400000000, -0.0000434500000000 ] - [ 0.0001938300000000, 0.0005979000000000, 0.0000404100000000 ] - [ -0.0000789400000000, -0.0000491300000000, -0.0002153900000000 ] - [ -0.0002408200000000, -0.0002472900000000, -0.0000436800000000 ] - [ -0.0000651900000000, 0.0000457400000000, -0.0001562800000000 ] - [ 0.0000514900000000, 0.0001562400000000, -0.0000536200000000 ] - [ 0.0005842100000000, -0.0001289000000000, -0.0002917100000000 ] - [ -0.0178146800000000, -0.0390211400000000, 0.0110815500000000 ] - [ 0.0001567900000000, -0.0000249500000000, 0.0002002200000000 ] - [ -0.0001608700000000, 0.0002381800000000, 0.0002227700000000 ] - [ -0.0001682000000000, -0.0000818500000000, -0.0002230800000000 ] - [ -0.0001514300000000, 0.0000016200000000, 0.0000168200000000 ] - [ -0.0013834600000000, -0.0014997800000000, 0.0021378600000000 ] - [ 0.0000958600000000, -0.0000796200000000, -0.0002170100000000 ] - [ 0.0001647400000000, 0.0003017900000000, 0.0000195400000000 ] - [ 0.0000446800000000, -0.0003276500000000, -0.0004649800000000 ] - [ -0.0000254300000000, -0.0000213900000000, 0.0000909500000000 ] - [ 0.0001608900000000, 0.0003639300000000, 0.0002068400000000 ] - [ -0.0002487700000000, 0.0003981300000000, -0.0004031400000000 ] - [ -0.0000569500000000, 0.0003820700000000, 0.0004120400000000 ] - [ -0.0004241600000000, -0.0008516500000000, -0.0003672900000000 ] - [ -0.0000653900000000, -0.0000454600000000, 0.0005083500000000 ] - [ 0.0000475300000000, -0.0000393100000000, -0.0002194400000000 ] - [ 0.0000876600000000, -0.0000817000000000, -0.0000243400000000 ] - [ 0.0003283200000000, 0.0009171300000000, -0.0004819800000000 ] - [ -0.0000944500000000, -0.0000134100000000, 0.0000250800000000 ] - [ 0.0007700300000000, 0.0000951600000000, -0.0000174500000000 ] - [ -0.0001093500000000, -0.0000389400000000, 0.0000654900000000 ] - [ -0.0000055400000000, -0.0001683500000000, -0.0001198100000000 ] - [ -0.0005238300000000, 0.0003632900000000, -0.0009098100000000 ] - [ 0.0000878000000000, 0.0003253200000000, 0.0001704000000000 ] - [ 0.0000928100000000, 0.0000951500000000, 0.0001667300000000 ] - [ 0.0005014600000000, -0.0002095500000000, 0.0003667800000000 ] - [ -0.0002371300000000, -0.0002237600000000, 0.0000911600000000 ] - [ -0.0001585300000000, -0.0001015800000000, 0.0000353900000000 ] - [ -0.0000104100000000, 0.0000949400000000, -0.0002526100000000 ] - [ 0.0000121100000000, 0.0000662800000000, 0.0003148200000000 ] - [ -0.0001045700000000, -0.0000491500000000, 0.0003413500000000 ] - [ -0.0000836000000000, 0.0000609000000000, -0.0002554300000000 ] - [ 0.0012714000000000, 0.0001895500000000, -0.0001251600000000 ] - [ 0.0001632500000000, 0.0006377800000000, 0.0005233100000000 ] - [ 0.0000035200000000, 0.0000323100000000, -0.0003157600000000 ] - [ 0.0000211000000000, -0.0000190300000000, -0.0000772500000000 ] - [ 0.0002365000000000, -0.0003782300000000, -0.0000919200000000 ] - [ 0.0006137300000000, 0.0005355400000000, 0.0010059200000000 ] - [ -0.0002159100000000, 0.0004321900000000, -0.0000015600000000 ] - [ -0.0001479000000000, -0.0000353100000000, -0.0000292500000000 ] - [ -0.0003898100000000, 0.0000385100000000, -0.0003569800000000 ] - [ -0.0000507400000000, -0.0001724800000000, 0.0003565200000000 ] - [ -0.0001020600000000, 0.0002184100000000, 0.0003955800000000 ] - [ 0.0000136000000000, 0.0000029500000000, -0.0003475700000000 ] - [ 0.0001044400000000, 0.0001301600000000, 0.0003317300000000 ] - [ -0.0007511500000000, 0.0027471600000000, 0.0004876500000000 ] - [ 0.0002423100000000, -0.0004196600000000, 0.0006550400000000 ] - [ -0.0001236600000000, -0.0005594300000000, 0.0001236900000000 ] - [ 0.0003891000000000, -0.0001552700000000, 0.0003968800000000 ] - [ 0.0000475500000000, 0.0005405000000000, -0.0000772800000000 ] - [ 0.0010286400000000, -0.0003352700000000, -0.0000122000000000 ] - [ -0.0001848700000000, -0.0001904200000000, 0.0002809400000000 ] - [ 0.0212844600000000, 0.0153532800000000, -0.0105391800000000 ] - [ 0.0001487800000000, 0.0001216500000000, -0.0000347400000000 ] - [ -0.0000244100000000, -0.0004261600000000, -0.0001000700000000 ] - [ 0.0000521600000000, 0.0000615100000000, 0.0000466500000000 ] - [ 0.0007634700000000, 0.0002394000000000, -0.0001155700000000 ] - [ 0.0001179700000000, 0.0006631000000000, -0.0003642600000000 ] - [ 0.0004474100000000, -0.0001361400000000, -0.0000801000000000 ] - [ 0.0000287000000000, -0.0001407000000000, 0.0000842300000000 ] - [ 0.0000722600000000, 0.0001047700000000, 0.0001840200000000 ] - [ -0.0001369400000000, 0.0000760200000000, 0.0001017100000000 ] - [ 0.0000128900000000, -0.0006579600000000, 0.0001241400000000 ] - [ -0.0000174000000000, -0.0000881500000000, 0.0001466500000000 ] - [ -0.0010737000000000, 0.0036206700000000, -0.0025515300000000 ] - [ -0.0000978300000000, 0.0001016600000000, -0.0000406400000000 ] - [ 0.0001211400000000, -0.0005913400000000, -0.0002887800000000 ] - [ 0.0000826500000000, -0.0000265100000000, 0.0001733200000000 ] - [ -0.0000734500000000, -0.0000309200000000, 0.0000222500000000 ] - [ 0.0000656600000000, 0.0005992400000000, 0.0000004000000000 ] - [ 0.0000315800000000, 0.0001692300000000, 0.0001599200000000 ] - [ 0.0000155000000000, -0.0002906100000000, 0.0000444800000000 ] - [ -0.0000792500000000, -0.0004124800000000, -0.0001558300000000 ] - [ 0.0000016000000000, 0.0006023600000000, -0.0001453000000000 ] - [ 0.0000091400000000, 0.0001100000000000, -0.0001480600000000 ] - [ 0.0000043700000000, -0.0001153400000000, 0.0000220200000000 ] - [ -0.0000234000000000, 0.0001407700000000, -0.0000746900000000 ] - [ -0.0006142900000000, -0.0003617400000000, 0.0000521500000000 ] - [ 0.0001107800000000, -0.0002801000000000, 0.0001836600000000 ] - [ -0.0000116200000000, -0.0001536500000000, -0.0001643800000000 ] - [ -0.0002194500000000, -0.0000833300000000, -0.0001996300000000 ] - [ -0.0033683700000000, 0.0058685600000000, 0.0048883300000000 ] - [ 0.0000296300000000, 0.0000856600000000, -0.0000958400000000 ] - [ 0.0001034600000000, -0.0003264100000000, -0.0000454100000000 ] - [ -0.0001495800000000, -0.0000540100000000, -0.0000194000000000 ] - [ -0.0005776700000000, 0.0046196800000000, 0.0029332200000000 ] - [ 0.0000620500000000, 0.0002580400000000, 0.0000809700000000 ] - [ 0.0002210300000000, -0.0007885000000000, -0.0000406600000000 ] - [ -0.0000540600000000, -0.0002527100000000, 0.0000499500000000 ] - [ -0.0005091500000000, 0.0061825200000000, -0.0042446400000000 ] - [ -0.0000333200000000, 0.0001865900000000, -0.0000389700000000 ] - [ 0.0000566700000000, -0.0001372600000000, 0.0002376500000000 ]- atom: 37 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007316200000000, -0.0005795900000000, 0.0000307500000000 ] - [ -0.0001923600000000, 0.0001965600000000, -0.0001041200000000 ] - [ 0.0008611400000000, -0.0003357700000000, -0.0003924500000000 ] - [ 0.0000893500000000, -0.0001086200000000, 0.0000604100000000 ] - [ 0.0000632700000000, -0.0002576200000000, 0.0002686500000000 ] - [ -0.0000718500000000, 0.0001613800000000, 0.0000643900000000 ] - [ 0.0007976600000000, -0.0014271500000000, 0.0001016800000000 ] - [ 0.0000180200000000, -0.0001121600000000, 0.0000259000000000 ] - [ 0.0001673600000000, -0.0001930500000000, -0.0001008600000000 ] - [ 0.0000806100000000, 0.0007006700000000, 0.0001999200000000 ] - [ 0.0000291000000000, -0.0000534900000000, -0.0000905800000000 ] - [ -0.0000412700000000, -0.0001143300000000, 0.0000164400000000 ] - [ -0.0001455000000000, 0.0002585600000000, 0.0000801500000000 ] - [ -0.0001730600000000, -0.0001269400000000, 0.0000499800000000 ] - [ 0.0001181600000000, -0.0000945500000000, -0.0000012300000000 ] - [ 0.0002895500000000, -0.0000500500000000, -0.0000544500000000 ] - [ 0.0000475200000000, 0.0000159600000000, 0.0000251900000000 ] - [ -0.0002492700000000, 0.0006172100000000, 0.0001383000000000 ] - [ 0.0005753700000000, -0.0004521700000000, 0.0006456200000000 ] - [ -0.0000662800000000, -0.0001978200000000, -0.0000417800000000 ] - [ -0.0003177000000000, 0.0007195900000000, 0.0003547300000000 ] - [ 0.0000726200000000, -0.0001901400000000, -0.0000474800000000 ] - [ -0.0001120200000000, -0.0001108600000000, 0.0000272900000000 ] - [ -0.0000799400000000, -0.0000916200000000, -0.0000412400000000 ] - [ -0.0000920800000000, 0.0009615500000000, -0.0000714100000000 ] - [ 0.0000017800000000, -0.0000601900000000, 0.0000183900000000 ] - [ -0.0000447600000000, -0.0002360000000000, -0.0000861400000000 ] - [ 0.0001449900000000, -0.0000790400000000, 0.0002938900000000 ] - [ -0.0024650600000000, -0.0004057200000000, 0.0035159200000000 ] - [ 0.0000219200000000, -0.0001083100000000, 0.0000375100000000 ] - [ -0.0001480000000000, -0.0001875800000000, -0.0000466200000000 ] - [ 0.0001252300000000, -0.0003630500000000, 0.0002225200000000 ] - [ 0.0000817600000000, 0.0002292600000000, 0.0002202700000000 ] - [ -0.0000934200000000, -0.0000289000000000, -0.0000189900000000 ] - [ 0.0001068700000000, -0.0001742200000000, -0.0001228300000000 ] - [ -0.0004329600000000, 0.0001453500000000, 0.0004718100000000 ] - [ 0.0179907400000000, 0.0394696000000000, -0.0112965500000000 ] - [ 0.0001241700000000, -0.0000905400000000, 0.0001318700000000 ] - [ -0.0001198600000000, -0.0001237200000000, 0.0001091000000000 ] - [ -0.0001122500000000, -0.0000330500000000, -0.0001085400000000 ] - [ -0.0001235400000000, -0.0000940100000000, -0.0000182000000000 ] - [ 0.0010944200000000, 0.0015894000000000, -0.0021257200000000 ] - [ 0.0001798000000000, -0.0000114800000000, 0.0002182100000000 ] - [ 0.0001108900000000, -0.0002106500000000, -0.0000206000000000 ] - [ -0.0000575200000000, 0.0002479700000000, 0.0000637300000000 ] - [ 0.0000124500000000, 0.0000998300000000, 0.0003100600000000 ] - [ -0.0001483200000000, -0.0004445900000000, 0.0001933500000000 ] - [ 0.0002629500000000, -0.0003203000000000, 0.0000025600000000 ] - [ -0.0000568400000000, -0.0003342800000000, -0.0007338300000000 ] - [ 0.0002946000000000, 0.0007935900000000, 0.0006767300000000 ] - [ 0.0001933700000000, 0.0000991700000000, -0.0001985000000000 ] - [ 0.0000799200000000, -0.0000133400000000, -0.0000919200000000 ] - [ 0.0000684700000000, -0.0000339500000000, -0.0000036500000000 ] - [ -0.0001729200000000, -0.0008056000000000, 0.0005129600000000 ] - [ -0.0000620300000000, -0.0001023200000000, 0.0000027100000000 ] - [ -0.0009213100000000, 0.0000287600000000, -0.0000089400000000 ] - [ -0.0000029700000000, -0.0001779700000000, 0.0002758300000000 ] - [ -0.0001073700000000, 0.0003840700000000, -0.0002187000000000 ] - [ 0.0006357100000000, -0.0005769700000000, 0.0005686600000000 ] - [ 0.0000251600000000, -0.0001095100000000, 0.0001701400000000 ] - [ 0.0001105200000000, 0.0000249700000000, 0.0000566100000000 ] - [ -0.0003019000000000, 0.0000906200000000, -0.0005922700000000 ] - [ 0.0000290300000000, 0.0003421200000000, -0.0003121000000000 ] - [ -0.0000443200000000, -0.0000187100000000, 0.0001875800000000 ] - [ 0.0000709100000000, -0.0002491600000000, -0.0001533700000000 ] - [ 0.0000489400000000, 0.0000863500000000, 0.0000911600000000 ] - [ 0.0000437200000000, -0.0001036500000000, 0.0000639300000000 ] - [ 0.0000205100000000, 0.0000927600000000, -0.0001448600000000 ] - [ -0.0013588700000000, -0.0002253600000000, -0.0001083200000000 ] - [ -0.0002284800000000, -0.0005966500000000, -0.0002954800000000 ] - [ 0.0000636500000000, -0.0000704400000000, 0.0005428300000000 ] - [ 0.0000459100000000, 0.0000569700000000, -0.0001493300000000 ] - [ 0.0000858600000000, 0.0004633400000000, 0.0000422800000000 ] - [ -0.0002907000000000, -0.0006175000000000, -0.0009532100000000 ] - [ -0.0001063800000000, -0.0003499600000000, 0.0000513500000000 ] - [ -0.0001749800000000, -0.0000483800000000, -0.0000199900000000 ] - [ 0.0003343200000000, 0.0000950200000000, -0.0001832100000000 ] - [ -0.0000045400000000, 0.0000384000000000, 0.0001842200000000 ] - [ 0.0001581000000000, -0.0000836100000000, 0.0001433700000000 ] - [ 0.0000416300000000, -0.0001376500000000, -0.0001918900000000 ] - [ 0.0000318700000000, 0.0000456300000000, 0.0000867300000000 ] - [ 0.0008857300000000, -0.0029108900000000, -0.0009148900000000 ] - [ -0.0003801000000000, 0.0005947100000000, -0.0010734300000000 ] - [ -0.0000118200000000, 0.0003841700000000, 0.0002958600000000 ] - [ -0.0000627100000000, -0.0000039100000000, -0.0000813500000000 ] - [ 0.0002787200000000, -0.0003788400000000, -0.0002406400000000 ] - [ -0.0013638500000000, 0.0001729000000000, -0.0003060300000000 ] - [ -0.0001422500000000, 0.0003509900000000, 0.0000349200000000 ] - [ -0.0209682100000000, -0.0156962400000000, 0.0102598300000000 ] - [ -0.0000976200000000, 0.0001407800000000, 0.0001929300000000 ] - [ -0.0000311100000000, 0.0001642800000000, 0.0002582200000000 ] - [ -0.0001062400000000, 0.0002010100000000, -0.0002046700000000 ] - [ -0.0007774500000000, -0.0002022500000000, 0.0000950400000000 ] - [ -0.0001344800000000, -0.0006942700000000, 0.0003868100000000 ] - [ -0.0004338700000000, 0.0001652900000000, 0.0000999500000000 ] - [ -0.0000116300000000, 0.0001092100000000, -0.0001056300000000 ] - [ -0.0000536700000000, -0.0001914500000000, -0.0000443600000000 ] - [ 0.0001567800000000, 0.0000110900000000, -0.0002431000000000 ] - [ -0.0000322600000000, 0.0005743100000000, -0.0002663300000000 ] - [ -0.0000025200000000, 0.0001765700000000, -0.0000020400000000 ] - [ 0.0008909700000000, -0.0036886300000000, 0.0025080500000000 ] - [ -0.0000255500000000, 0.0000044200000000, 0.0000043100000000 ] - [ 0.0000019800000000, 0.0004878300000000, 0.0002555900000000 ] - [ 0.0000408600000000, 0.0001330200000000, -0.0001386800000000 ] - [ -0.0001390500000000, 0.0001518000000000, 0.0001230900000000 ] - [ -0.0002755400000000, -0.0007200500000000, -0.0001464800000000 ] - [ 0.0001819400000000, -0.0000503900000000, -0.0003064200000000 ] - [ 0.0001988700000000, 0.0001703600000000, 0.0001002800000000 ] - [ -0.0000041800000000, 0.0003640800000000, 0.0001589100000000 ] - [ -0.0000836300000000, -0.0005562200000000, 0.0001445000000000 ] - [ 0.0000736600000000, -0.0001610400000000, 0.0001434200000000 ] - [ 0.0000790800000000, 0.0001650800000000, -0.0000179200000000 ] - [ -0.0000157000000000, -0.0001210200000000, -0.0000548000000000 ] - [ 0.0005757500000000, 0.0003426700000000, 0.0000772100000000 ] - [ -0.0000724500000000, 0.0003008100000000, -0.0000553900000000 ] - [ 0.0000485200000000, 0.0001334000000000, 0.0000322200000000 ] - [ 0.0001091800000000, 0.0003303300000000, 0.0002364400000000 ] - [ 0.0031820400000000, -0.0060831500000000, -0.0048138800000000 ] - [ 0.0000809300000000, 0.0001586400000000, 0.0000602800000000 ] - [ 0.0000063200000000, 0.0000822300000000, 0.0000800700000000 ] - [ 0.0000537800000000, 0.0002306100000000, -0.0000376800000000 ] - [ 0.0004794900000000, -0.0049552800000000, -0.0030509700000000 ] - [ 0.0000342600000000, -0.0000831600000000, -0.0000248700000000 ] - [ -0.0001262600000000, 0.0006134700000000, -0.0000151300000000 ] - [ 0.0000907000000000, 0.0002769800000000, 0.0001306000000000 ] - [ 0.0005374100000000, -0.0063775500000000, 0.0042605600000000 ] - [ -0.0000022400000000, -0.0001638400000000, -0.0001425200000000 ] - [ -0.0000934700000000, 0.0001148000000000, -0.0000581500000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001238200000000, 0.0000635500000000, -0.0006557900000000 ] - [ 0.0000732100000000, 0.0000948200000000, 0.0000823200000000 ] - [ -0.0003327800000000, 0.0003833000000000, 0.0001798300000000 ] - [ 0.0000855800000000, -0.0000086100000000, 0.0002007200000000 ] - [ 0.0001087700000000, -0.0003555100000000, 0.0002899300000000 ] - [ -0.0001291800000000, -0.0000403400000000, 0.0003608900000000 ] - [ -0.0000277800000000, -0.0001782700000000, -0.0006854200000000 ] - [ 0.0000280500000000, -0.0000312900000000, -0.0000239300000000 ] - [ 0.0000093700000000, -0.0000118600000000, -0.0002855400000000 ] - [ 0.0002627900000000, 0.0003533100000000, 0.0019835400000000 ] - [ -0.0004831200000000, 0.0005023400000000, 0.0001997300000000 ] - [ -0.0000650100000000, -0.0000125300000000, 0.0001529800000000 ] - [ -0.0000433100000000, 0.0000922600000000, 0.0005382500000000 ] - [ -0.0001978500000000, -0.0001382700000000, 0.0000488900000000 ] - [ 0.0001328600000000, 0.0000591600000000, -0.0000432300000000 ] - [ 0.0001779400000000, -0.0000656200000000, -0.0003415800000000 ] - [ 0.0000011000000000, -0.0000144100000000, 0.0002570300000000 ] - [ -0.0003594900000000, -0.0002291000000000, 0.0003996600000000 ] - [ 0.0005236000000000, -0.0003771100000000, 0.0005516300000000 ] - [ -0.0000303000000000, -0.0000501900000000, -0.0002067500000000 ] - [ 0.0006252800000000, 0.0003112600000000, -0.0012998100000000 ] - [ 0.0000154900000000, 0.0006138500000000, 0.0006290000000000 ] - [ -0.0000833700000000, 0.0000587200000000, 0.0000690000000000 ] - [ -0.0001186000000000, -0.0000466400000000, 0.0001899900000000 ] - [ 0.0002254400000000, 0.0000074300000000, 0.0015739000000000 ] - [ 0.0000252000000000, -0.0000841500000000, 0.0001892400000000 ] - [ 0.0000004800000000, 0.0000015500000000, -0.0002666000000000 ] - [ 0.0001255700000000, -0.0002099500000000, 0.0002787000000000 ] - [ -0.0020036700000000, -0.0022121300000000, 0.0014376400000000 ] - [ -0.0000915700000000, -0.0001056400000000, 0.0002550700000000 ] - [ 0.0001608900000000, 0.0005430800000000, -0.0001668100000000 ] - [ 0.0001034000000000, -0.0004050600000000, 0.0002569200000000 ] - [ 0.0000037400000000, 0.0002068300000000, 0.0002636400000000 ] - [ -0.0001267000000000, -0.0001770600000000, 0.0000339500000000 ] - [ 0.0000665400000000, -0.0000723100000000, -0.0001839100000000 ] - [ -0.0004145500000000, 0.0000760700000000, 0.0003163900000000 ] - [ 0.0302770800000000, 0.0112192700000000, -0.0450512600000000 ] - [ 0.0001150200000000, -0.0000232700000000, 0.0002058900000000 ] - [ -0.0001035300000000, 0.0000001200000000, 0.0001498100000000 ] - [ -0.0000429000000000, -0.0000000700000000, 0.0001329400000000 ] - [ -0.0002078700000000, 0.0000050900000000, 0.0002490500000000 ] - [ -0.0038899800000000, -0.0001134900000000, 0.0027302400000000 ] - [ 0.0001363800000000, -0.0000534100000000, 0.0003007000000000 ] - [ 0.0002029400000000, 0.0000197800000000, -0.0001179400000000 ] - [ -0.0000381400000000, -0.0001776300000000, 0.0002596200000000 ] - [ -0.0000032500000000, -0.0000225100000000, 0.0004508600000000 ] - [ -0.0001711200000000, -0.0004321700000000, 0.0000228100000000 ] - [ 0.0001319200000000, -0.0002685900000000, -0.0003409700000000 ] - [ -0.0003395300000000, -0.0002346100000000, -0.0008586500000000 ] - [ -0.0004691800000000, -0.0009593300000000, -0.0006754100000000 ] - [ 0.0000580000000000, -0.0000222600000000, 0.0000856700000000 ] - [ 0.0000126900000000, 0.0001041400000000, -0.0000014900000000 ] - [ 0.0000727400000000, -0.0001121700000000, 0.0002325700000000 ] - [ -0.0001544400000000, -0.0007340600000000, 0.0005661000000000 ] - [ -0.0000357900000000, -0.0000580700000000, -0.0001549100000000 ] - [ -0.0004222400000000, 0.0002449800000000, -0.0008031600000000 ] - [ 0.0000055000000000, -0.0001601100000000, 0.0004038700000000 ] - [ -0.0001127100000000, -0.0000093700000000, 0.0004460200000000 ] - [ 0.0005360600000000, -0.0009052900000000, 0.0002430000000000 ] - [ 0.0000183800000000, 0.0000760900000000, 0.0000385900000000 ] - [ 0.0001041500000000, 0.0000502800000000, 0.0004056300000000 ] - [ 0.0003360500000000, -0.0001075300000000, 0.0001178100000000 ] - [ -0.0004660100000000, -0.0002662300000000, 0.0000388000000000 ] - [ -0.0000193500000000, 0.0001695900000000, 0.0001755200000000 ] - [ 0.0001845800000000, -0.0000397900000000, -0.0003805300000000 ] - [ 0.0000936800000000, 0.0002289400000000, 0.0000372700000000 ] - [ -0.0000687400000000, -0.0001955200000000, 0.0000620700000000 ] - [ 0.0000521000000000, 0.0000981700000000, 0.0000933200000000 ] - [ 0.0003312900000000, -0.0000018900000000, 0.0001178200000000 ] - [ 0.0002018400000000, 0.0006189700000000, 0.0006725600000000 ] - [ 0.0000928500000000, 0.0000273000000000, 0.0004572600000000 ] - [ 0.0000744100000000, 0.0000018400000000, -0.0001226100000000 ] - [ -0.0002312300000000, 0.0002986400000000, -0.0003864900000000 ] - [ 0.0007892100000000, 0.0010918300000000, 0.0007620000000000 ] - [ -0.0003427900000000, 0.0000706800000000, 0.0001966800000000 ] - [ -0.0001009300000000, -0.0000419400000000, 0.0001569000000000 ] - [ 0.0005753200000000, -0.0001963900000000, -0.0007058500000000 ] - [ 0.0000853400000000, 0.0002551900000000, 0.0007668200000000 ] - [ 0.0000086400000000, 0.0001851100000000, -0.0000055700000000 ] - [ -0.0000349800000000, -0.0001678700000000, -0.0000400800000000 ] - [ 0.0000575300000000, 0.0001112900000000, -0.0003333500000000 ] - [ 0.0003630400000000, 0.0005820000000000, -0.0025994400000000 ] - [ -0.0003323500000000, 0.0006647100000000, -0.0009943300000000 ] - [ -0.0001010000000000, 0.0000002300000000, 0.0008841600000000 ] - [ -0.0000741000000000, -0.0000123000000000, -0.0000936100000000 ] - [ 0.0000671100000000, 0.0002592400000000, -0.0009161100000000 ] - [ -0.0002929600000000, 0.0003361100000000, 0.0006814400000000 ] - [ -0.0001215500000000, 0.0001657400000000, 0.0001151100000000 ] - [ -0.0231033400000000, -0.0101579700000000, 0.0168430100000000 ] - [ 0.0003874300000000, 0.0000358400000000, -0.0001831200000000 ] - [ -0.0000504900000000, -0.0001582400000000, 0.0000517100000000 ] - [ -0.0000934600000000, 0.0002107500000000, -0.0004775000000000 ] - [ -0.0000446900000000, -0.0001059400000000, 0.0007199200000000 ] - [ -0.0007891100000000, -0.0008780400000000, -0.0007026600000000 ] - [ 0.0002635100000000, -0.0005756500000000, 0.0001829900000000 ] - [ 0.0000447600000000, 0.0000030700000000, -0.0002861700000000 ] - [ -0.0002885300000000, 0.0001533000000000, -0.0004264600000000 ] - [ 0.0001537900000000, 0.0002155100000000, -0.0004312600000000 ] - [ -0.0000123800000000, 0.0001915400000000, 0.0001316200000000 ] - [ 0.0000372100000000, 0.0001876400000000, 0.0001890300000000 ] - [ 0.0010360800000000, -0.0025380100000000, 0.0052982800000000 ] - [ -0.0001390400000000, 0.0000743300000000, -0.0002875900000000 ] - [ 0.0000173300000000, -0.0000555300000000, 0.0002437700000000 ] - [ 0.0000722700000000, 0.0001095700000000, -0.0002263500000000 ] - [ -0.0000862300000000, 0.0000024700000000, -0.0001760600000000 ] - [ 0.0008166000000000, 0.0001785400000000, 0.0007054500000000 ] - [ 0.0002323000000000, 0.0002741000000000, -0.0006504000000000 ] - [ 0.0001848900000000, -0.0000103100000000, 0.0002102200000000 ] - [ -0.0000368700000000, -0.0002576900000000, 0.0003190000000000 ] - [ -0.0001053200000000, -0.0000736600000000, 0.0001337900000000 ] - [ -0.0000853400000000, -0.0004557900000000, -0.0005492700000000 ] - [ 0.0000725100000000, 0.0000182000000000, -0.0001492600000000 ] - [ 0.0002007000000000, -0.0001374300000000, -0.0006543100000000 ] - [ 0.0006450400000000, 0.0002628300000000, 0.0005616700000000 ] - [ 0.0000730600000000, 0.0000492900000000, -0.0001749300000000 ] - [ 0.0000786100000000, 0.0000245000000000, 0.0002983600000000 ] - [ -0.0002023400000000, -0.0001009200000000, 0.0002167700000000 ] - [ -0.0034463600000000, 0.0039390400000000, 0.0055939600000000 ] - [ 0.0001503900000000, -0.0000122300000000, -0.0002899100000000 ] - [ -0.0000374500000000, -0.0002027800000000, -0.0002181100000000 ] - [ -0.0001309900000000, 0.0000807000000000, -0.0001722800000000 ] - [ -0.0007720000000000, 0.0033519600000000, 0.0059588900000000 ] - [ 0.0000369500000000, 0.0000272100000000, -0.0003235300000000 ] - [ -0.0003214200000000, 0.0004863100000000, 0.0002434200000000 ] - [ 0.0000472500000000, 0.0001180800000000, 0.0002577700000000 ] - [ 0.0001870200000000, -0.0045257200000000, 0.0046135100000000 ] - [ 0.0001774300000000, -0.0000188300000000, -0.0004666400000000 ] - [ -0.0001011200000000, 0.0001590400000000, -0.0001839300000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0001149600000000, -0.0000619600000000, 0.0007063200000000 ] - [ -0.0003137800000000, -0.0000982100000000, -0.0001355300000000 ] - [ 0.0005749500000000, -0.0003775000000000, -0.0002303100000000 ] - [ 0.0001557400000000, 0.0000043700000000, -0.0001483200000000 ] - [ -0.0001606800000000, 0.0002856000000000, -0.0003173300000000 ] - [ 0.0000765500000000, 0.0001095400000000, -0.0003320300000000 ] - [ 0.0000801900000000, 0.0001131800000000, 0.0007121300000000 ] - [ 0.0000246300000000, 0.0001000100000000, -0.0000041200000000 ] - [ 0.0001031600000000, -0.0000149400000000, 0.0002486300000000 ] - [ -0.0001500900000000, -0.0003265600000000, -0.0019227900000000 ] - [ 0.0003712100000000, -0.0005267700000000, -0.0001627000000000 ] - [ -0.0000477200000000, 0.0000380800000000, -0.0001892100000000 ] - [ -0.0002527400000000, 0.0000566900000000, -0.0004718400000000 ] - [ -0.0000988300000000, -0.0000113200000000, -0.0001141000000000 ] - [ 0.0001636000000000, 0.0000894000000000, -0.0000222200000000 ] - [ 0.0001185200000000, -0.0000813600000000, 0.0004083800000000 ] - [ 0.0000109400000000, -0.0000018600000000, -0.0002997000000000 ] - [ 0.0003692700000000, 0.0002452500000000, -0.0003520500000000 ] - [ -0.0005330900000000, 0.0003607500000000, -0.0005072200000000 ] - [ 0.0000173600000000, 0.0000661300000000, 0.0001625400000000 ] - [ -0.0004639700000000, -0.0002252500000000, 0.0011410300000000 ] - [ 0.0001562100000000, -0.0007021400000000, -0.0004621400000000 ] - [ -0.0000887800000000, 0.0000315500000000, 0.0000963700000000 ] - [ -0.0000531500000000, -0.0000441000000000, -0.0003545800000000 ] - [ -0.0001778100000000, 0.0001047400000000, -0.0015346700000000 ] - [ 0.0000245500000000, -0.0000277000000000, -0.0002430400000000 ] - [ -0.0000493700000000, 0.0001096700000000, 0.0002119900000000 ] - [ -0.0001743800000000, 0.0000984600000000, -0.0002244900000000 ] - [ 0.0019663600000000, 0.0026658700000000, -0.0014392400000000 ] - [ 0.0000452400000000, -0.0003052900000000, -0.0002604500000000 ] - [ -0.0001165000000000, -0.0001335500000000, 0.0001608600000000 ] - [ -0.0000571300000000, -0.0000070300000000, -0.0002508000000000 ] - [ -0.0001625200000000, -0.0002231600000000, -0.0000873500000000 ] - [ -0.0000321500000000, 0.0001932000000000, -0.0002101200000000 ] - [ 0.0000918400000000, 0.0000549200000000, 0.0000070400000000 ] - [ 0.0005709200000000, -0.0000575700000000, -0.0001393100000000 ] - [ -0.0301147700000000, -0.0111576900000000, 0.0447080600000000 ] - [ 0.0001652300000000, -0.0000919400000000, 0.0001260100000000 ] - [ -0.0001765100000000, 0.0001140100000000, 0.0001819700000000 ] - [ -0.0002372100000000, -0.0001148600000000, -0.0004645500000000 ] - [ -0.0000681000000000, -0.0000967800000000, -0.0002486900000000 ] - [ 0.0036563300000000, 0.0001825900000000, -0.0027451200000000 ] - [ 0.0001390100000000, -0.0000381600000000, -0.0003000100000000 ] - [ 0.0000721400000000, 0.0000711100000000, 0.0001172800000000 ] - [ 0.0000252800000000, 0.0000999700000000, -0.0006585000000000 ] - [ -0.0000103100000000, 0.0001008300000000, -0.0000494900000000 ] - [ 0.0001830100000000, 0.0003513500000000, 0.0003763500000000 ] - [ -0.0001182500000000, 0.0003465100000000, -0.0000606500000000 ] - [ 0.0001928900000000, 0.0002891900000000, 0.0005454500000000 ] - [ 0.0003402500000000, 0.0009024100000000, 0.0009828200000000 ] - [ 0.0000700700000000, 0.0000760700000000, 0.0002248800000000 ] - [ 0.0001142700000000, -0.0001569700000000, -0.0003096900000000 ] - [ 0.0000826600000000, -0.0000040200000000, -0.0002604600000000 ] - [ 0.0003101100000000, 0.0008463200000000, -0.0005369000000000 ] - [ -0.0001207700000000, -0.0000581500000000, 0.0001823500000000 ] - [ 0.0002503100000000, -0.0001441700000000, 0.0007725400000000 ] - [ -0.0001180400000000, -0.0000566700000000, -0.0000626900000000 ] - [ 0.0000008200000000, 0.0002257300000000, -0.0007847800000000 ] - [ -0.0004235000000000, 0.0006888900000000, -0.0005852300000000 ] - [ 0.0000942000000000, 0.0001398000000000, 0.0003018100000000 ] - [ 0.0000991700000000, 0.0000695300000000, -0.0001817700000000 ] - [ -0.0001329200000000, -0.0000123900000000, -0.0003408800000000 ] - [ 0.0002618700000000, 0.0003845500000000, -0.0002620300000000 ] - [ -0.0001834200000000, -0.0002896600000000, 0.0000460800000000 ] - [ -0.0001233400000000, -0.0001131400000000, -0.0000243400000000 ] - [ -0.0000326100000000, -0.0000761800000000, 0.0003687700000000 ] - [ 0.0000078500000000, 0.0000423300000000, 0.0003440600000000 ] - [ -0.0001109600000000, 0.0000560300000000, -0.0004994100000000 ] - [ -0.0003639900000000, -0.0000242800000000, -0.0003241800000000 ] - [ -0.0002676500000000, -0.0005778200000000, -0.0004439100000000 ] - [ -0.0000257600000000, -0.0000655100000000, -0.0002299600000000 ] - [ -0.0000074300000000, 0.0000362600000000, -0.0001034500000000 ] - [ 0.0005436500000000, -0.0002151800000000, 0.0003319500000000 ] - [ -0.0004642200000000, -0.0011728400000000, -0.0007147300000000 ] - [ 0.0000193900000000, 0.0000119400000000, -0.0001465500000000 ] - [ -0.0002219700000000, -0.0000418100000000, -0.0002062500000000 ] - [ -0.0006365600000000, 0.0003312300000000, 0.0001673000000000 ] - [ -0.0001399700000000, -0.0003878500000000, -0.0002256200000000 ] - [ 0.0000467100000000, -0.0000508700000000, 0.0005456400000000 ] - [ 0.0000898600000000, 0.0000332500000000, -0.0004999800000000 ] - [ 0.0000790000000000, 0.0000647200000000, 0.0007509400000000 ] - [ -0.0002329100000000, -0.0007619400000000, 0.0021759000000000 ] - [ 0.0001951900000000, -0.0004898600000000, 0.0005767200000000 ] - [ -0.0000353900000000, -0.0001735800000000, -0.0004646600000000 ] - [ 0.0004012100000000, -0.0001472000000000, 0.0004093600000000 ] - [ 0.0002582500000000, -0.0001001600000000, 0.0005978700000000 ] - [ -0.0000339500000000, -0.0004978600000000, -0.0009968700000000 ] - [ -0.0002055000000000, -0.0000050900000000, 0.0002006200000000 ] - [ 0.0234967200000000, 0.0100450100000000, -0.0169538000000000 ] - [ -0.0003318900000000, 0.0002259900000000, 0.0003398400000000 ] - [ -0.0000042400000000, -0.0001032900000000, 0.0001068100000000 ] - [ 0.0000390900000000, 0.0000520500000000, 0.0003192200000000 ] - [ 0.0000273300000000, 0.0001383600000000, -0.0007407900000000 ] - [ 0.0007656300000000, 0.0008378800000000, 0.0007223500000000 ] - [ -0.0002471400000000, 0.0006081400000000, -0.0001620800000000 ] - [ -0.0000270100000000, -0.0000347500000000, 0.0002656100000000 ] - [ 0.0003087000000000, -0.0002418400000000, 0.0005672300000000 ] - [ -0.0001339500000000, -0.0001275000000000, 0.0002891500000000 ] - [ -0.0000078200000000, -0.0002782500000000, -0.0002713600000000 ] - [ -0.0000549500000000, -0.0001001300000000, -0.0000498200000000 ] - [ -0.0012622500000000, 0.0025377700000000, -0.0053737000000000 ] - [ 0.0000156500000000, 0.0000318500000000, 0.0002513500000000 ] - [ 0.0001051900000000, -0.0000507000000000, -0.0002793200000000 ] - [ 0.0000512000000000, -0.0000033700000000, 0.0002620800000000 ] - [ -0.0001269200000000, 0.0001175300000000, 0.0003206500000000 ] - [ -0.0010290100000000, -0.0003016000000000, -0.0008547100000000 ] - [ -0.0000184200000000, -0.0001515900000000, 0.0005032000000000 ] - [ 0.0000293700000000, -0.0001094400000000, -0.0000655800000000 ] - [ -0.0000464100000000, 0.0002084300000000, -0.0003135400000000 ] - [ 0.0000259300000000, 0.0001200800000000, -0.0001349600000000 ] - [ 0.0001683300000000, 0.0004075100000000, 0.0005451400000000 ] - [ 0.0000108100000000, 0.0000316200000000, 0.0001533200000000 ] - [ -0.0002370900000000, 0.0001558200000000, 0.0005225000000000 ] - [ -0.0006829200000000, -0.0002783500000000, -0.0004348800000000 ] - [ -0.0000346700000000, -0.0000291200000000, 0.0003032900000000 ] - [ -0.0000388800000000, -0.0000483000000000, -0.0004273700000000 ] - [ 0.0000920600000000, 0.0003504500000000, -0.0001763900000000 ] - [ 0.0032074300000000, -0.0040606900000000, -0.0055231700000000 ] - [ -0.0000400400000000, 0.0002567300000000, 0.0002546800000000 ] - [ 0.0001467000000000, -0.0000418900000000, 0.0002524800000000 ] - [ 0.0000354200000000, 0.0000956100000000, 0.0001154300000000 ] - [ 0.0006765800000000, -0.0036987800000000, -0.0060289900000000 ] - [ 0.0000592100000000, 0.0001483700000000, 0.0003799900000000 ] - [ 0.0004170200000000, -0.0006614300000000, -0.0003001000000000 ] - [ -0.0000104800000000, -0.0000937500000000, -0.0000769500000000 ] - [ -0.0001620800000000, 0.0043428500000000, -0.0046985400000000 ] - [ -0.0002128900000000, 0.0000410200000000, 0.0002850900000000 ] - [ 0.0000644500000000, -0.0001814100000000, 0.0003636400000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002020000000000, 0.0000164500000000, -0.0001071900000000 ] - [ 0.0001038000000000, 0.0000585600000000, -0.0000101700000000 ] - [ 0.0001278700000000, -0.0000113700000000, -0.0000401600000000 ] - [ -0.0003556300000000, 0.0005765300000000, 0.0003803000000000 ] - [ -0.0000241900000000, -0.0001294400000000, 0.0001145800000000 ] - [ 0.0001439300000000, 0.0001263200000000, 0.0000182900000000 ] - [ 0.0000276000000000, -0.0000315200000000, 0.0000127300000000 ] - [ -0.0004205400000000, 0.0001817700000000, -0.0000899700000000 ] - [ -0.0000061400000000, 0.0000244200000000, 0.0001327800000000 ] - [ 0.0001298800000000, -0.0001241800000000, 0.0000008900000000 ] - [ -0.0000687900000000, -0.0000145600000000, 0.0000096600000000 ] - [ 0.0001816600000000, 0.0003847600000000, 0.0002647800000000 ] - [ -0.0000374300000000, -0.0000970600000000, 0.0000859200000000 ] - [ -0.0003609800000000, -0.0001489100000000, -0.0001201300000000 ] - [ 0.0002404800000000, 0.0006022500000000, -0.0004462200000000 ] - [ 0.0001461500000000, -0.0000721200000000, 0.0000395900000000 ] - [ 0.0011268400000000, -0.0033737500000000, 0.0024582000000000 ] - [ 0.0000109500000000, 0.0001228300000000, -0.0000603100000000 ] - [ 0.0000750500000000, -0.0000193400000000, 0.0000582000000000 ] - [ -0.0000726100000000, 0.0000034900000000, -0.0000115900000000 ] - [ 0.0001060600000000, 0.0001623600000000, 0.0000166500000000 ] - [ 0.0002893000000000, -0.0029070400000000, -0.0027653500000000 ] - [ -0.0001234900000000, 0.0000381500000000, 0.0000879800000000 ] - [ -0.0000426300000000, -0.0000862300000000, -0.0001000300000000 ] - [ 0.0000756600000000, 0.0000248800000000, 0.0000655600000000 ] - [ 0.0051032100000000, 0.0022880400000000, -0.0048228400000000 ] - [ -0.0000055200000000, 0.0000965000000000, -0.0000782900000000 ] - [ -0.0000700000000000, -0.0000629500000000, 0.0000882100000000 ] - [ 0.0000043700000000, 0.0002232500000000, 0.0000250900000000 ] - [ 0.0000291500000000, 0.0020876600000000, 0.0004374800000000 ] - [ 0.0000139000000000, 0.0002215600000000, -0.0000221000000000 ] - [ 0.0001962900000000, -0.0005851100000000, -0.0000260000000000 ] - [ -0.0001520900000000, -0.0000383400000000, 0.0000942600000000 ] - [ 0.0005985000000000, -0.0002261600000000, 0.0003822600000000 ] - [ 0.0001630900000000, 0.0000000300000000, -0.0000831200000000 ] - [ 0.0000714800000000, 0.0000050200000000, 0.0000828900000000 ] - [ 0.0002354900000000, 0.0000428600000000, -0.0002360200000000 ] - [ 0.0024053200000000, 0.0011842200000000, 0.0039233700000000 ] - [ -0.0001320000000000, 0.0000982800000000, 0.0001638800000000 ] - [ -0.0001791100000000, -0.0000293100000000, -0.0002311800000000 ] - [ -0.0522398700000000, -0.0101902200000000, -0.0059640400000000 ] - [ -0.0000887500000000, 0.0000609300000000, -0.0000008600000000 ] - [ 0.0002020300000000, -0.0001118900000000, 0.0000099700000000 ] - [ 0.0001465900000000, 0.0000681600000000, -0.0000107400000000 ] - [ 0.0002193900000000, -0.0000960200000000, -0.0000844400000000 ] - [ -0.0001624000000000, 0.0003850700000000, -0.0001947300000000 ] - [ -0.0000245600000000, 0.0000438700000000, 0.0001154800000000 ] - [ 0.0000303300000000, 0.0000437200000000, -0.0002127400000000 ] - [ -0.0001263200000000, -0.0000737400000000, -0.0002541100000000 ] - [ 0.0006945400000000, -0.0003062300000000, -0.0005996400000000 ] - [ 0.0000868100000000, 0.0000169800000000, 0.0001425500000000 ] - [ 0.0000600300000000, -0.0000253000000000, -0.0000906600000000 ] - [ -0.0001014800000000, 0.0000652000000000, -0.0002753600000000 ] - [ 0.0001673200000000, 0.0000275300000000, -0.0000747400000000 ] - [ 0.0005542200000000, -0.0001472300000000, 0.0005993800000000 ] - [ -0.0000951900000000, 0.0000610400000000, 0.0000409800000000 ] - [ -0.0005639500000000, -0.0004380300000000, 0.0008006500000000 ] - [ 0.0000090100000000, 0.0001156800000000, -0.0001944500000000 ] - [ 0.0000668900000000, -0.0001136900000000, -0.0001529200000000 ] - [ 0.0000013400000000, 0.0001876100000000, 0.0000619300000000 ] - [ 0.0003275000000000, 0.0003761700000000, -0.0001930700000000 ] - [ 0.0000768100000000, -0.0000401700000000, -0.0001141700000000 ] - [ -0.0001507400000000, -0.0000591300000000, -0.0002847000000000 ] - [ 0.0000238700000000, -0.0000842900000000, 0.0001429500000000 ] - [ 0.0000278000000000, -0.0000932500000000, -0.0001397900000000 ] - [ 0.0005445300000000, -0.0002832300000000, 0.0001097200000000 ] - [ -0.0000116600000000, -0.0001516100000000, 0.0002544600000000 ] - [ -0.0000953200000000, 0.0000603000000000, -0.0000647500000000 ] - [ -0.0000640000000000, 0.0000332300000000, -0.0001010700000000 ] - [ 0.0000261000000000, 0.0001128200000000, 0.0001200300000000 ] - [ 0.0000511400000000, -0.0000096600000000, 0.0001366900000000 ] - [ 0.0000017000000000, -0.0000285400000000, -0.0001903100000000 ] - [ 0.0000329300000000, 0.0000927500000000, 0.0000055300000000 ] - [ 0.0006529900000000, -0.0000188400000000, -0.0000086600000000 ] - [ -0.0001490400000000, 0.0000121600000000, 0.0000046100000000 ] - [ -0.0001520600000000, 0.0000578900000000, -0.0000119600000000 ] - [ -0.0000756600000000, 0.0000899700000000, -0.0002576300000000 ] - [ 0.0003856200000000, -0.0006328700000000, 0.0004108200000000 ] - [ 0.0000297000000000, 0.0000630200000000, 0.0002394600000000 ] - [ 0.0000723400000000, -0.0000263300000000, -0.0002717100000000 ] - [ 0.0064346400000000, 0.0052370000000000, -0.0040928800000000 ] - [ -0.0000240800000000, -0.0000497400000000, -0.0002879000000000 ] - [ -0.0001566400000000, 0.0002061800000000, -0.0004365800000000 ] - [ -0.0000855000000000, -0.0001638100000000, 0.0003300600000000 ] - [ 0.0006132200000000, 0.0004009900000000, 0.0001313100000000 ] - [ -0.0001643400000000, 0.0001421700000000, -0.0002668900000000 ] - [ -0.0001818600000000, -0.0000742500000000, -0.0001673500000000 ] - [ 0.0000698500000000, -0.0004182100000000, 0.0006562200000000 ] - [ -0.0000792400000000, -0.0001702600000000, -0.0000635900000000 ] - [ 0.0117041600000000, 0.0139262200000000, 0.0116067300000000 ] - [ -0.0000514000000000, -0.0001719400000000, 0.0000638300000000 ] - [ -0.0000624600000000, 0.0002457600000000, 0.0001291200000000 ] - [ 0.0001908900000000, -0.0000557000000000, -0.0000193600000000 ] - [ -0.0003014900000000, 0.0002128600000000, 0.0001660500000000 ] - [ -0.0000036100000000, 0.0000334900000000, 0.0000520500000000 ] - [ -0.0004897000000000, -0.0003211300000000, -0.0002298200000000 ] - [ 0.0002469800000000, 0.0002780700000000, -0.0002778500000000 ] - [ -0.0001916500000000, -0.0005346200000000, 0.0004675700000000 ] - [ -0.0001513700000000, -0.0000486400000000, -0.0000486000000000 ] - [ -0.0000176800000000, -0.0000156100000000, 0.0000681900000000 ] - [ -0.0000442200000000, -0.0000077100000000, 0.0000141400000000 ] - [ -0.0008745000000000, -0.0004343900000000, -0.0003807500000000 ] - [ 0.0000453000000000, -0.0000468800000000, -0.0000030400000000 ] - [ 0.0001280700000000, -0.0000589800000000, 0.0001044400000000 ] - [ 0.0123691900000000, -0.0045550400000000, -0.0013816900000000 ] - [ -0.0000773000000000, -0.0000629700000000, -0.0000669900000000 ] - [ 0.0000831700000000, 0.0001174600000000, -0.0000737400000000 ] - [ 0.0001166500000000, -0.0000167800000000, 0.0000690500000000 ] - [ -0.0003316100000000, -0.0002876600000000, 0.0004803600000000 ] - [ -0.0000290800000000, 0.0000199100000000, -0.0000290300000000 ] - [ 0.0000275900000000, 0.0000318200000000, -0.0000246100000000 ] - [ 0.0004170700000000, 0.0006364600000000, 0.0004217900000000 ] - [ 0.0004495800000000, 0.0005258700000000, 0.0000290200000000 ] - [ -0.0000311500000000, -0.0000250800000000, 0.0000605600000000 ] - [ -0.0002260400000000, -0.0000790800000000, -0.0000147800000000 ] - [ 0.0000075800000000, -0.0000076000000000, -0.0000693300000000 ] - [ -0.0004137800000000, -0.0003757300000000, -0.0003437000000000 ] - [ 0.0000764400000000, 0.0003308200000000, 0.0003324400000000 ] - [ 0.0000529400000000, 0.0000266900000000, -0.0001085900000000 ] - [ -0.0000255000000000, 0.0000062500000000, 0.0000947800000000 ] - [ 0.0116464600000000, -0.0037751100000000, 0.0006331700000000 ] - [ -0.0000441100000000, -0.0000564800000000, 0.0000295300000000 ] - [ -0.0001180900000000, -0.0002511800000000, 0.0000194900000000 ] - [ -0.0000308800000000, -0.0001136300000000, -0.0000233500000000 ] - [ 0.0001873400000000, 0.0005541500000000, -0.0003484400000000 ] - [ 0.0000349100000000, 0.0000223800000000, -0.0000844900000000 ] - [ -0.0000427300000000, -0.0000432400000000, -0.0000554900000000 ] - [ -0.0003953800000000, -0.0003897000000000, -0.0002019100000000 ]- atom: 41 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000425100000000, -0.0000116300000000, 0.0001599400000000 ] - [ -0.0003467300000000, -0.0000638400000000, -0.0000415700000000 ] - [ 0.0001162500000000, 0.0000167800000000, -0.0000132400000000 ] - [ 0.0005968300000000, -0.0005870700000000, -0.0003262300000000 ] - [ -0.0000300500000000, 0.0000619100000000, -0.0001446200000000 ] - [ -0.0001963000000000, -0.0000587700000000, 0.0000098700000000 ] - [ 0.0000267600000000, -0.0000344600000000, 0.0000156200000000 ] - [ 0.0004738800000000, -0.0001110300000000, 0.0000580400000000 ] - [ 0.0001211600000000, -0.0000500200000000, -0.0001686400000000 ] - [ -0.0000157600000000, 0.0001488800000000, 0.0000347700000000 ] - [ -0.0000457300000000, -0.0000096100000000, 0.0000253800000000 ] - [ -0.0002950200000000, -0.0003676200000000, -0.0003017100000000 ] - [ -0.0002575700000000, 0.0002456000000000, -0.0000198200000000 ] - [ 0.0000664400000000, -0.0000001500000000, 0.0000535500000000 ] - [ 0.0000587600000000, -0.0004505900000000, 0.0003761300000000 ] - [ 0.0001480800000000, -0.0000754400000000, 0.0000262900000000 ] - [ -0.0011295800000000, 0.0033565200000000, -0.0025067000000000 ] - [ -0.0000057200000000, -0.0001103200000000, 0.0001037800000000 ] - [ -0.0000802600000000, 0.0000076400000000, -0.0000142000000000 ] - [ 0.0000677100000000, 0.0000094300000000, -0.0000334400000000 ] - [ 0.0000629900000000, -0.0000745500000000, -0.0001816800000000 ] - [ -0.0001143600000000, 0.0028101400000000, 0.0029315600000000 ] - [ -0.0000455900000000, 0.0000495600000000, 0.0000763700000000 ] - [ -0.0001265300000000, -0.0000018900000000, -0.0000636700000000 ] - [ -0.0000187400000000, 0.0000892500000000, -0.0000123700000000 ] - [ -0.0051033400000000, -0.0024095600000000, 0.0048222200000000 ] - [ -0.0000510200000000, 0.0000171100000000, 0.0000232700000000 ] - [ 0.0000136500000000, -0.0000492600000000, -0.0000337000000000 ] - [ -0.0000497600000000, 0.0001865100000000, -0.0000169300000000 ] - [ -0.0000645100000000, -0.0024962700000000, -0.0004396800000000 ] - [ 0.0000320900000000, 0.0001890100000000, 0.0000124200000000 ] - [ -0.0001525000000000, 0.0001786600000000, 0.0000357000000000 ] - [ -0.0000049200000000, 0.0000186300000000, 0.0000799800000000 ] - [ -0.0007516500000000, 0.0002475600000000, -0.0005517700000000 ] - [ -0.0000061600000000, -0.0000201300000000, -0.0000927800000000 ] - [ 0.0000853600000000, 0.0000163200000000, 0.0000924800000000 ] - [ 0.0000470200000000, 0.0000720100000000, -0.0000954500000000 ] - [ -0.0021469900000000, -0.0012949000000000, -0.0036238100000000 ] - [ -0.0001501900000000, 0.0000156800000000, 0.0001657400000000 ] - [ -0.0001028000000000, -0.0000845000000000, -0.0000997600000000 ] - [ 0.0516836000000000, 0.0101668800000000, 0.0060514400000000 ] - [ -0.0001868500000000, 0.0000301800000000, 0.0000046300000000 ] - [ 0.0000735400000000, 0.0000228600000000, -0.0000051000000000 ] - [ 0.0001291900000000, 0.0000226300000000, 0.0000054200000000 ] - [ -0.0002333200000000, 0.0000172300000000, -0.0003208600000000 ] - [ 0.0001526800000000, -0.0002979400000000, 0.0005891400000000 ] - [ 0.0000377600000000, -0.0001227500000000, 0.0002858600000000 ] - [ -0.0000178900000000, 0.0000377100000000, -0.0001911900000000 ] - [ 0.0000025700000000, 0.0001218200000000, -0.0000594000000000 ] - [ -0.0008114900000000, 0.0002583600000000, 0.0009084900000000 ] - [ 0.0000376000000000, 0.0000315900000000, 0.0001706600000000 ] - [ 0.0000647700000000, -0.0000239400000000, -0.0002222200000000 ] - [ 0.0002581400000000, -0.0001833000000000, 0.0002440800000000 ] - [ -0.0000106600000000, 0.0000912300000000, 0.0001033500000000 ] - [ -0.0007108000000000, 0.0000261600000000, -0.0005734400000000 ] - [ -0.0000626200000000, 0.0000576700000000, -0.0000684400000000 ] - [ 0.0004497400000000, 0.0002186100000000, -0.0004596500000000 ] - [ -0.0001218700000000, 0.0001022100000000, -0.0001494400000000 ] - [ 0.0000465800000000, -0.0001029500000000, -0.0001902600000000 ] - [ 0.0001126300000000, 0.0000306200000000, 0.0002787300000000 ] - [ -0.0001204900000000, -0.0002614200000000, 0.0004154000000000 ] - [ 0.0001254100000000, -0.0000770100000000, -0.0001109600000000 ] - [ -0.0000507500000000, 0.0001766300000000, 0.0000593300000000 ] - [ -0.0002261700000000, -0.0000337300000000, 0.0000817000000000 ] - [ 0.0000339700000000, -0.0000600800000000, -0.0002683600000000 ] - [ -0.0004853100000000, 0.0004327500000000, 0.0003012700000000 ] - [ -0.0000499800000000, -0.0000020800000000, 0.0001557000000000 ] - [ 0.0000336900000000, 0.0000925900000000, -0.0003428200000000 ] - [ -0.0000034800000000, -0.0000689000000000, -0.0001229400000000 ] - [ -0.0000939600000000, -0.0000746600000000, 0.0001016100000000 ] - [ 0.0000162300000000, -0.0000266300000000, 0.0000871500000000 ] - [ 0.0000663800000000, 0.0000650700000000, -0.0000340500000000 ] - [ 0.0002901900000000, -0.0000055500000000, -0.0000580500000000 ] - [ -0.0003323600000000, -0.0000702500000000, 0.0000612200000000 ] - [ -0.0001738300000000, 0.0000743900000000, 0.0000487100000000 ] - [ -0.0001700900000000, -0.0001437100000000, -0.0000402200000000 ] - [ 0.0000207300000000, 0.0000456300000000, -0.0002818100000000 ] - [ -0.0004379500000000, 0.0004917300000000, 0.0001314900000000 ] - [ 0.0000255800000000, 0.0000732400000000, 0.0002985600000000 ] - [ -0.0000148600000000, -0.0001076200000000, -0.0002656500000000 ] - [ -0.0062388200000000, -0.0050999100000000, 0.0045823400000000 ] - [ 0.0001635400000000, -0.0001312500000000, -0.0001304400000000 ] - [ 0.0000169500000000, -0.0000278500000000, 0.0000173400000000 ] - [ -0.0000545800000000, -0.0000164300000000, 0.0000940000000000 ] - [ -0.0002819600000000, -0.0005534100000000, 0.0001804900000000 ] - [ 0.0004935400000000, 0.0000142800000000, -0.0000426000000000 ] - [ -0.0001491300000000, -0.0000833800000000, -0.0001404700000000 ] - [ -0.0004035500000000, 0.0005647400000000, -0.0003321400000000 ] - [ 0.0001368200000000, -0.0000928300000000, -0.0000992000000000 ] - [ -0.0115073000000000, -0.0136931200000000, -0.0115043500000000 ] - [ -0.0000070900000000, -0.0000913500000000, 0.0001000700000000 ] - [ 0.0000061200000000, 0.0000160100000000, -0.0002949600000000 ] - [ -0.0002036500000000, 0.0000869800000000, 0.0000012400000000 ] - [ 0.0002850700000000, -0.0002410200000000, -0.0001472500000000 ] - [ 0.0000167000000000, -0.0000045100000000, -0.0000327500000000 ] - [ 0.0004879500000000, 0.0002782700000000, 0.0001958300000000 ] - [ -0.0002269000000000, -0.0003697100000000, 0.0004210100000000 ] - [ 0.0002074200000000, 0.0006228400000000, -0.0006028700000000 ] - [ 0.0001312600000000, -0.0000403400000000, -0.0000896800000000 ] - [ -0.0000031200000000, 0.0001016800000000, 0.0000722700000000 ] - [ -0.0000768000000000, -0.0000976400000000, 0.0000264300000000 ] - [ 0.0007430500000000, 0.0005381000000000, 0.0003378300000000 ] - [ 0.0000761900000000, -0.0000585900000000, -0.0000356600000000 ] - [ -0.0000076900000000, 0.0001619700000000, -0.0000659700000000 ] - [ -0.0120343900000000, 0.0045003600000000, 0.0014576400000000 ] - [ -0.0001396400000000, -0.0000584000000000, -0.0000756900000000 ] - [ 0.0001346800000000, 0.0000018000000000, -0.0000702500000000 ] - [ 0.0001006900000000, -0.0001039300000000, 0.0000751900000000 ] - [ 0.0002432800000000, 0.0002466700000000, -0.0004738500000000 ] - [ -0.0000607700000000, 0.0000230900000000, 0.0000229500000000 ] - [ 0.0000623800000000, -0.0000765800000000, 0.0000188900000000 ] - [ -0.0003294600000000, -0.0005890300000000, -0.0004123200000000 ] - [ -0.0004827600000000, -0.0005107500000000, -0.0001605000000000 ] - [ -0.0000051600000000, 0.0000059000000000, 0.0000688700000000 ] - [ 0.0002630800000000, 0.0000989400000000, 0.0001390100000000 ] - [ 0.0000284900000000, -0.0000122700000000, -0.0000587700000000 ] - [ 0.0003040800000000, 0.0006237000000000, 0.0003810300000000 ] - [ -0.0001839500000000, -0.0005778800000000, -0.0003723000000000 ] - [ 0.0000545000000000, 0.0002187700000000, 0.0000699600000000 ] - [ 0.0001355500000000, -0.0002504500000000, -0.0000540800000000 ] - [ -0.0121261000000000, 0.0041715700000000, -0.0007383100000000 ] - [ -0.0000471000000000, -0.0001123700000000, 0.0000300900000000 ] - [ 0.0002074900000000, 0.0004141000000000, 0.0000393600000000 ] - [ 0.0001227000000000, -0.0000546300000000, -0.0000342400000000 ] - [ -0.0001456600000000, -0.0005360700000000, 0.0005312400000000 ] - [ 0.0000078100000000, -0.0000406600000000, -0.0000972600000000 ] - [ 0.0000004300000000, 0.0000591700000000, -0.0001257500000000 ] - [ 0.0003569100000000, 0.0003746000000000, 0.0003881300000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001230200000000, -0.0001077600000000, 0.0001443800000000 ] - [ -0.0000024200000000, 0.0000237500000000, 0.0000742600000000 ] - [ 0.0000869700000000, 0.0000969700000000, -0.0000071700000000 ] - [ 0.0000112700000000, 0.0014217900000000, 0.0009696600000000 ] - [ 0.0001032500000000, -0.0004417100000000, 0.0000092900000000 ] - [ 0.0001046300000000, 0.0000485600000000, -0.0000185100000000 ] - [ 0.0000109200000000, 0.0000792500000000, -0.0000413400000000 ] - [ 0.0000189000000000, 0.0009848600000000, -0.0008793400000000 ] - [ 0.0000732000000000, -0.0001683600000000, -0.0000306000000000 ] - [ 0.0000030600000000, 0.0001704800000000, 0.0000765400000000 ] - [ -0.0000678300000000, 0.0000998100000000, 0.0000239000000000 ] - [ 0.0012113900000000, 0.0007947400000000, 0.0009552000000000 ] - [ -0.0002716400000000, 0.0002975600000000, 0.0000292200000000 ] - [ -0.0004096600000000, -0.0003331100000000, 0.0000442000000000 ] - [ 0.0009617700000000, 0.0004978800000000, -0.0008351500000000 ] - [ 0.0001346800000000, 0.0000207200000000, -0.0000040800000000 ] - [ -0.0022996100000000, 0.0027572400000000, -0.0034820800000000 ] - [ -0.0000658700000000, 0.0000424900000000, -0.0000918100000000 ] - [ -0.0000015100000000, 0.0001616400000000, 0.0000220500000000 ] - [ -0.0000526600000000, 0.0000812800000000, -0.0001681400000000 ] - [ 0.0000766500000000, 0.0000228000000000, -0.0000602400000000 ] - [ -0.0005704900000000, 0.0009053700000000, 0.0030218200000000 ] - [ -0.0000872400000000, 0.0000686900000000, 0.0001118300000000 ] - [ -0.0000883300000000, 0.0001090200000000, -0.0000346100000000 ] - [ 0.0000101700000000, 0.0001152100000000, -0.0000763000000000 ] - [ 0.0011043300000000, -0.0010098700000000, -0.0011445100000000 ] - [ 0.0000484100000000, 0.0000103200000000, -0.0001764500000000 ] - [ -0.0000383300000000, 0.0002047200000000, 0.0000783100000000 ] - [ 0.0000072500000000, 0.0001310800000000, -0.0000647300000000 ] - [ 0.0027079100000000, 0.0047107700000000, 0.0008126400000000 ] - [ 0.0000585500000000, 0.0002876500000000, -0.0000947600000000 ] - [ -0.0001102500000000, 0.0001553600000000, 0.0000331000000000 ] - [ -0.0000291100000000, 0.0000814500000000, 0.0000459200000000 ] - [ 0.0000735800000000, -0.0002336600000000, -0.0002020200000000 ] - [ 0.0000749100000000, -0.0000810200000000, -0.0001432500000000 ] - [ 0.0001440300000000, 0.0000738600000000, 0.0001060700000000 ] - [ 0.0000790100000000, 0.0001039600000000, -0.0001170600000000 ] - [ -0.0004922100000000, -0.0015990100000000, 0.0000233700000000 ] - [ -0.0001022900000000, 0.0000210500000000, 0.0001756200000000 ] - [ -0.0001401700000000, 0.0002008900000000, -0.0001417100000000 ] - [ -0.0099541200000000, -0.0708875400000000, -0.0182893500000000 ] - [ -0.0001524600000000, 0.0000919500000000, -0.0000519700000000 ] - [ 0.0002040200000000, 0.0001775000000000, 0.0000328800000000 ] - [ 0.0001598100000000, 0.0000674700000000, -0.0000593700000000 ] - [ -0.0001646500000000, 0.0001502400000000, -0.0005675300000000 ] - [ 0.0003871500000000, 0.0006419900000000, -0.0008926300000000 ] - [ 0.0001107600000000, 0.0001848500000000, -0.0001190300000000 ] - [ 0.0000112400000000, 0.0001671800000000, -0.0002530900000000 ] - [ 0.0000341600000000, -0.0000068700000000, -0.0001501300000000 ] - [ 0.0000962100000000, 0.0003216900000000, 0.0005250600000000 ] - [ 0.0001063500000000, 0.0000421500000000, 0.0001011400000000 ] - [ 0.0002429500000000, -0.0001628000000000, 0.0001918600000000 ] - [ -0.0000433000000000, 0.0002252800000000, -0.0003634300000000 ] - [ 0.0000556600000000, 0.0000859700000000, 0.0000193300000000 ] - [ -0.0004629500000000, -0.0001616800000000, -0.0003743400000000 ] - [ -0.0000497800000000, 0.0000842000000000, 0.0000837300000000 ] - [ -0.0003273300000000, -0.0012806600000000, 0.0013233600000000 ] - [ -0.0000375100000000, 0.0002147000000000, -0.0002401900000000 ] - [ 0.0000623000000000, 0.0000103000000000, -0.0002048600000000 ] - [ 0.0001466700000000, 0.0002115900000000, -0.0002523900000000 ] - [ -0.0000504400000000, -0.0000997700000000, 0.0004793200000000 ] - [ 0.0001150400000000, 0.0000738300000000, -0.0001157200000000 ] - [ 0.0000223200000000, 0.0001402000000000, -0.0003350200000000 ] - [ -0.0001109400000000, -0.0001166900000000, 0.0000938800000000 ] - [ 0.0000831200000000, -0.0001689700000000, -0.0001615500000000 ] - [ 0.0002571600000000, 0.0002109400000000, 0.0002770200000000 ] - [ -0.0000084800000000, -0.0000300400000000, 0.0002300500000000 ] - [ -0.0000190700000000, 0.0000921000000000, 0.0000248100000000 ] - [ -0.0000422000000000, 0.0000582900000000, -0.0001263200000000 ] - [ -0.0002249300000000, -0.0002183300000000, -0.0001558800000000 ] - [ -0.0000028900000000, -0.0000834300000000, 0.0001205800000000 ] - [ 0.0000678100000000, 0.0001346000000000, -0.0003275600000000 ] - [ 0.0001807000000000, 0.0000441900000000, 0.0001052600000000 ] - [ -0.0003870000000000, -0.0002678900000000, 0.0000534000000000 ] - [ -0.0001779100000000, 0.0000385600000000, 0.0000933300000000 ] - [ -0.0001222900000000, 0.0004126200000000, -0.0000156800000000 ] - [ -0.0000126600000000, 0.0000245400000000, -0.0002710100000000 ] - [ 0.0000393200000000, -0.0001887300000000, 0.0003098500000000 ] - [ 0.0000374100000000, 0.0000982400000000, 0.0002461500000000 ] - [ 0.0001418300000000, 0.0002518700000000, -0.0003459700000000 ] - [ 0.0046209500000000, 0.0170076300000000, -0.0098486400000000 ] - [ 0.0000485800000000, -0.0002987600000000, 0.0001419300000000 ] - [ -0.0000972400000000, -0.0002251600000000, -0.0001229700000000 ] - [ -0.0001675000000000, -0.0003087100000000, 0.0006889000000000 ] - [ 0.0005559600000000, 0.0012335700000000, 0.0001731300000000 ] - [ 0.0001844300000000, -0.0000552900000000, -0.0001191000000000 ] - [ -0.0001873100000000, -0.0002301100000000, -0.0001008100000000 ] - [ -0.0007938300000000, -0.0010622400000000, 0.0019203900000000 ] - [ 0.0000446000000000, -0.0001181400000000, -0.0000949600000000 ] - [ 0.0135782000000000, 0.0412064900000000, 0.0283249600000000 ] - [ -0.0001053200000000, -0.0002193300000000, 0.0000353500000000 ] - [ -0.0000551900000000, -0.0001290700000000, -0.0002340600000000 ] - [ -0.0000812600000000, 0.0001983600000000, -0.0000678100000000 ] - [ -0.0001575000000000, -0.0001391500000000, 0.0000576800000000 ] - [ -0.0000151000000000, -0.0000916500000000, 0.0000013600000000 ] - [ -0.0005619200000000, -0.0011586700000000, -0.0006249500000000 ] - [ -0.0002293800000000, -0.0004061000000000, 0.0006842700000000 ] - [ 0.0000030500000000, 0.0000472500000000, 0.0001492400000000 ] - [ -0.0001279400000000, -0.0001961900000000, 0.0001815700000000 ] - [ -0.0000523200000000, -0.0003449200000000, 0.0002510000000000 ] - [ -0.0000686800000000, -0.0000343100000000, 0.0000062000000000 ] - [ -0.0006672800000000, 0.0005248800000000, -0.0002971600000000 ] - [ 0.0000386800000000, -0.0000640900000000, 0.0000324000000000 ] - [ 0.0000469200000000, -0.0005516300000000, -0.0000006700000000 ] - [ -0.0060608700000000, 0.0036343800000000, 0.0004853800000000 ] - [ -0.0000803300000000, -0.0001169100000000, -0.0000292800000000 ] - [ 0.0001494400000000, -0.0002312900000000, -0.0001208300000000 ] - [ 0.0001679700000000, -0.0000231500000000, 0.0000900900000000 ] - [ 0.0000499300000000, 0.0007767000000000, -0.0000797100000000 ] - [ -0.0000944300000000, -0.0001237800000000, -0.0001035200000000 ] - [ 0.0000099000000000, -0.0002601500000000, 0.0000041900000000 ] - [ 0.0004371300000000, 0.0003509000000000, -0.0000922700000000 ] - [ 0.0004208700000000, -0.0007093500000000, -0.0004424500000000 ] - [ -0.0000280700000000, 0.0001115000000000, 0.0000854000000000 ] - [ -0.0002619200000000, -0.0002057600000000, 0.0000361000000000 ] - [ -0.0000271700000000, -0.0001107200000000, -0.0000253500000000 ] - [ 0.0000236900000000, 0.0003516300000000, 0.0000148300000000 ] - [ -0.0001654400000000, -0.0005058700000000, -0.0003254600000000 ] - [ 0.0000388900000000, -0.0001337300000000, -0.0002326000000000 ] - [ -0.0000564600000000, -0.0002071200000000, -0.0001700600000000 ] - [ -0.0024751400000000, 0.0020075200000000, -0.0005634800000000 ] - [ -0.0000282900000000, -0.0002024500000000, 0.0000589600000000 ] - [ -0.0004904200000000, -0.0010740500000000, 0.0000043100000000 ] - [ 0.0000408300000000, 0.0000299700000000, -0.0000167500000000 ] - [ 0.0002942700000000, 0.0001736100000000, 0.0004294100000000 ] - [ 0.0001065500000000, -0.0002244000000000, -0.0001234500000000 ] - [ -0.0000388100000000, -0.0001766800000000, -0.0000466100000000 ] - [ -0.0000489500000000, 0.0008941900000000, 0.0004443800000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001188000000000, 0.0001105700000000, -0.0000928600000000 ] - [ -0.0002413200000000, -0.0000257600000000, -0.0001262500000000 ] - [ 0.0001545000000000, -0.0000931100000000, -0.0000441900000000 ] - [ 0.0002227400000000, -0.0014075100000000, -0.0009053800000000 ] - [ -0.0001565000000000, 0.0003724400000000, -0.0000393400000000 ] - [ -0.0001583000000000, 0.0000219800000000, 0.0000466800000000 ] - [ 0.0000415300000000, -0.0001477400000000, 0.0000691000000000 ] - [ 0.0000286100000000, -0.0009031700000000, 0.0008409000000000 ] - [ 0.0000391500000000, 0.0001419300000000, -0.0000054300000000 ] - [ 0.0001092300000000, -0.0001426000000000, -0.0000398700000000 ] - [ -0.0000450300000000, -0.0001250800000000, 0.0000128800000000 ] - [ -0.0013022500000000, -0.0007613100000000, -0.0009754100000000 ] - [ -0.0000253500000000, -0.0001471300000000, 0.0000361000000000 ] - [ 0.0001139100000000, 0.0001837900000000, -0.0001121800000000 ] - [ -0.0006553800000000, -0.0003478400000000, 0.0007612300000000 ] - [ 0.0001612400000000, -0.0001693100000000, 0.0000694400000000 ] - [ 0.0023503800000000, -0.0027852800000000, 0.0034686900000000 ] - [ 0.0000789100000000, -0.0000247300000000, 0.0001349400000000 ] - [ -0.0000102100000000, -0.0001774600000000, 0.0000213700000000 ] - [ 0.0000402600000000, -0.0000648300000000, 0.0001231100000000 ] - [ 0.0000951900000000, 0.0000687100000000, -0.0001044200000000 ] - [ 0.0007659100000000, -0.0009976200000000, -0.0028912500000000 ] - [ -0.0000847800000000, 0.0000204400000000, 0.0000526200000000 ] - [ -0.0000834900000000, -0.0001987600000000, -0.0001300100000000 ] - [ 0.0000388500000000, -0.0000024600000000, 0.0001300000000000 ] - [ -0.0010433000000000, 0.0009121500000000, 0.0010805300000000 ] - [ -0.0000976600000000, 0.0001009300000000, 0.0001209000000000 ] - [ -0.0000116500000000, -0.0003161000000000, -0.0000245400000000 ] - [ -0.0000528800000000, 0.0002800500000000, 0.0000705600000000 ] - [ -0.0028006200000000, -0.0052227500000000, -0.0008297900000000 ] - [ -0.0000129000000000, 0.0001235400000000, 0.0000880400000000 ] - [ 0.0001564400000000, -0.0005673000000000, -0.0000265600000000 ] - [ -0.0001297000000000, -0.0000975600000000, 0.0001295800000000 ] - [ -0.0002325800000000, 0.0002487100000000, 0.0000242400000000 ] - [ 0.0000836800000000, 0.0000629000000000, -0.0000332500000000 ] - [ 0.0000146500000000, -0.0000564900000000, 0.0000711800000000 ] - [ 0.0002012600000000, 0.0000116900000000, -0.0002149800000000 ] - [ 0.0007744000000000, 0.0014863200000000, 0.0003155000000000 ] - [ -0.0001792100000000, 0.0000925100000000, 0.0001563800000000 ] - [ -0.0001404400000000, -0.0003153700000000, -0.0001892500000000 ] - [ 0.0104149000000000, 0.0720560300000000, 0.0188596500000000 ] - [ -0.0001231200000000, 0.0000004900000000, 0.0000521100000000 ] - [ 0.0000706800000000, -0.0002689600000000, -0.0000323600000000 ] - [ 0.0001156500000000, 0.0000236500000000, 0.0000581200000000 ] - [ 0.0001514600000000, -0.0002283300000000, 0.0001677300000000 ] - [ -0.0003961700000000, -0.0005559500000000, 0.0012822300000000 ] - [ -0.0000966500000000, -0.0002619600000000, 0.0005167800000000 ] - [ 0.0000021200000000, -0.0000887000000000, -0.0001480500000000 ] - [ -0.0001609300000000, 0.0000591500000000, -0.0001625500000000 ] - [ -0.0002249600000000, -0.0003727800000000, -0.0002079500000000 ] - [ 0.0000221400000000, 0.0000108600000000, 0.0002094000000000 ] - [ -0.0001144100000000, 0.0001088500000000, -0.0005011300000000 ] - [ 0.0002005900000000, -0.0003404000000000, 0.0003355500000000 ] - [ 0.0001002600000000, 0.0000292800000000, 0.0000076400000000 ] - [ 0.0003049700000000, 0.0000448000000000, 0.0004002400000000 ] - [ -0.0001065000000000, 0.0000312900000000, -0.0001113700000000 ] - [ 0.0002155900000000, 0.0010653800000000, -0.0010036500000000 ] - [ -0.0000754000000000, 0.0000021700000000, -0.0001002500000000 ] - [ 0.0000506500000000, -0.0002260900000000, -0.0001359000000000 ] - [ -0.0000333500000000, 0.0000046600000000, 0.0005900900000000 ] - [ 0.0002526700000000, 0.0002183000000000, -0.0002526900000000 ] - [ 0.0000878100000000, -0.0001923500000000, -0.0001070900000000 ] - [ -0.0002268700000000, -0.0000186900000000, 0.0001153900000000 ] - [ -0.0000919400000000, -0.0000034500000000, 0.0001291300000000 ] - [ -0.0000217700000000, 0.0000156900000000, -0.0002445900000000 ] - [ -0.0001933100000000, -0.0000552000000000, 0.0001281200000000 ] - [ -0.0000525100000000, -0.0001220300000000, 0.0001753700000000 ] - [ -0.0000406100000000, 0.0000606400000000, -0.0004318500000000 ] - [ -0.0000247000000000, -0.0000956500000000, -0.0000988200000000 ] - [ 0.0001591100000000, 0.0002553900000000, 0.0003802100000000 ] - [ 0.0000699500000000, 0.0000447200000000, 0.0001056400000000 ] - [ -0.0000007700000000, -0.0000944100000000, 0.0001015800000000 ] - [ 0.0001422600000000, 0.0000405900000000, -0.0001544600000000 ] - [ 0.0007067700000000, 0.0001837100000000, -0.0000035300000000 ] - [ -0.0001448500000000, 0.0000441900000000, -0.0000434200000000 ] - [ -0.0002005900000000, -0.0004933700000000, -0.0000323100000000 ] - [ -0.0000428400000000, 0.0001100000000000, -0.0002700000000000 ] - [ -0.0000963800000000, 0.0000579700000000, 0.0002310900000000 ] - [ 0.0000180500000000, 0.0000357900000000, 0.0002941100000000 ] - [ -0.0000862800000000, -0.0003831900000000, -0.0001951400000000 ] - [ -0.0046931800000000, -0.0172076400000000, 0.0107862800000000 ] - [ 0.0000874300000000, 0.0001223700000000, -0.0005618500000000 ] - [ -0.0000392300000000, 0.0004003800000000, -0.0002962600000000 ] - [ 0.0000305300000000, 0.0001332900000000, -0.0002655800000000 ] - [ -0.0002283600000000, -0.0013946700000000, 0.0001523400000000 ] - [ 0.0001431700000000, 0.0002141400000000, -0.0001959900000000 ] - [ -0.0001406300000000, 0.0000694800000000, -0.0002151600000000 ] - [ 0.0004597800000000, 0.0012108500000000, -0.0015823100000000 ] - [ 0.0000097300000000, -0.0001447100000000, -0.0000613800000000 ] - [ -0.0140326000000000, -0.0418140300000000, -0.0292317300000000 ] - [ 0.0000508800000000, -0.0000421000000000, 0.0001229100000000 ] - [ 0.0000009600000000, 0.0003910800000000, 0.0000766200000000 ] - [ 0.0000651400000000, -0.0001651100000000, 0.0000486600000000 ] - [ 0.0001424100000000, 0.0001040800000000, -0.0000389400000000 ] - [ 0.0000311900000000, 0.0001238200000000, 0.0000185400000000 ] - [ 0.0005800900000000, 0.0011116700000000, 0.0005947300000000 ] - [ 0.0002517200000000, 0.0003156000000000, -0.0005416200000000 ] - [ 0.0000134300000000, 0.0000381800000000, -0.0002878800000000 ] - [ 0.0001076200000000, 0.0001084800000000, -0.0003202500000000 ] - [ 0.0000324600000000, 0.0004307200000000, -0.0001081400000000 ] - [ -0.0000550300000000, -0.0000721300000000, 0.0000303500000000 ] - [ 0.0005463000000000, -0.0004245200000000, 0.0002602000000000 ] - [ 0.0000844600000000, -0.0000417000000000, -0.0000673900000000 ] - [ 0.0000762700000000, 0.0006551400000000, 0.0000354300000000 ] - [ 0.0058519700000000, -0.0034777000000000, -0.0003400300000000 ] - [ -0.0001325400000000, -0.0000040500000000, -0.0001149000000000 ] - [ 0.0000641800000000, 0.0003494500000000, -0.0000242500000000 ] - [ 0.0000456900000000, -0.0000959800000000, 0.0000554900000000 ] - [ -0.0001333000000000, -0.0008231700000000, 0.0000830300000000 ] - [ 0.0000111500000000, 0.0001718100000000, 0.0001001000000000 ] - [ 0.0000732800000000, 0.0002094500000000, -0.0000089800000000 ] - [ -0.0003563300000000, -0.0002948800000000, 0.0000957500000000 ] - [ -0.0004636800000000, 0.0007225700000000, 0.0003131900000000 ] - [ -0.0000104200000000, -0.0001315400000000, 0.0000449500000000 ] - [ 0.0002973200000000, 0.0002247900000000, 0.0000942100000000 ] - [ 0.0000652700000000, 0.0000907700000000, -0.0001035400000000 ] - [ -0.0001333800000000, -0.0001092600000000, 0.0000181200000000 ] - [ 0.0000559700000000, 0.0002581700000000, 0.0002875900000000 ] - [ 0.0000705900000000, 0.0003783800000000, 0.0001963000000000 ] - [ 0.0001648900000000, -0.0000382900000000, 0.0002026800000000 ] - [ 0.0023156700000000, -0.0018085500000000, 0.0004987400000000 ] - [ -0.0000672600000000, 0.0000261100000000, -0.0000015400000000 ] - [ 0.0005890500000000, 0.0012545400000000, 0.0000521700000000 ] - [ 0.0000547800000000, -0.0002048500000000, -0.0000389000000000 ] - [ -0.0002555400000000, -0.0001451000000000, -0.0002484200000000 ] - [ -0.0000704900000000, 0.0002003700000000, -0.0000567800000000 ] - [ 0.0000014100000000, 0.0001963500000000, -0.0001343600000000 ] - [ 0.0000179600000000, -0.0009155500000000, -0.0002642800000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000421000000000, 0.0000346200000000, 0.0004504500000000 ] - [ -0.0000908700000000, 0.0000766200000000, -0.0003776600000000 ] - [ 0.0001230200000000, 0.0000330700000000, 0.0000887600000000 ] - [ -0.0001167100000000, 0.0011078900000000, 0.0002328100000000 ] - [ 0.0001675400000000, -0.0004161100000000, 0.0005674700000000 ] - [ -0.0000223200000000, -0.0001093800000000, -0.0001463700000000 ] - [ 0.0000410100000000, -0.0000850800000000, 0.0001008500000000 ] - [ 0.0002074500000000, -0.0009067700000000, 0.0003095000000000 ] - [ 0.0000270500000000, 0.0000419300000000, 0.0004004900000000 ] - [ 0.0000003200000000, 0.0002196500000000, -0.0002319700000000 ] - [ -0.0000640500000000, -0.0000280000000000, 0.0001441500000000 ] - [ 0.0008765800000000, 0.0009004400000000, 0.0003182500000000 ] - [ -0.0000157900000000, -0.0002264000000000, -0.0001166400000000 ] - [ -0.0004973600000000, -0.0002327900000000, 0.0004843300000000 ] - [ -0.0006114500000000, -0.0005778200000000, 0.0003794300000000 ] - [ 0.0001663100000000, -0.0000949700000000, 0.0001113500000000 ] - [ 0.0017975200000000, -0.0041946400000000, 0.0021287700000000 ] - [ 0.0000655600000000, -0.0002064800000000, 0.0002622100000000 ] - [ -0.0000236900000000, -0.0000588800000000, -0.0000670100000000 ] - [ -0.0000075800000000, -0.0001139200000000, 0.0002719600000000 ] - [ 0.0000816300000000, 0.0002644200000000, 0.0002357700000000 ] - [ -0.0010407300000000, 0.0049874300000000, 0.0025459200000000 ] - [ -0.0000294600000000, 0.0001971200000000, 0.0003265300000000 ] - [ -0.0000509700000000, -0.0000357700000000, -0.0001991700000000 ] - [ 0.0000819300000000, -0.0000676400000000, 0.0002213800000000 ] - [ -0.0046989700000000, -0.0022522100000000, 0.0020341200000000 ] - [ -0.0000925400000000, -0.0000247800000000, 0.0003111400000000 ] - [ 0.0000109800000000, -0.0000934600000000, -0.0000661900000000 ] - [ -0.0000188800000000, 0.0002357000000000, 0.0002834400000000 ] - [ 0.0001678400000000, -0.0003954200000000, -0.0016626300000000 ] - [ 0.0000205800000000, 0.0001581300000000, 0.0002569500000000 ] - [ 0.0000355300000000, -0.0001775800000000, -0.0001840500000000 ] - [ -0.0001076700000000, -0.0002017000000000, 0.0001823400000000 ] - [ -0.0006017600000000, 0.0004892000000000, -0.0002821500000000 ] - [ 0.0001523000000000, 0.0000034400000000, 0.0001030900000000 ] - [ 0.0000908000000000, -0.0000227300000000, 0.0000200800000000 ] - [ -0.0000221900000000, 0.0000771600000000, 0.0000851500000000 ] - [ 0.0042300900000000, 0.0020624800000000, 0.0028919700000000 ] - [ -0.0001710400000000, 0.0002771700000000, 0.0004642300000000 ] - [ -0.0001975300000000, -0.0000794400000000, -0.0002811900000000 ] - [ -0.0058555800000000, -0.0178881100000000, -0.0535051600000000 ] - [ -0.0001348000000000, -0.0000055800000000, 0.0002666800000000 ] - [ 0.0001451500000000, -0.0000788200000000, -0.0001316900000000 ] - [ 0.0001456900000000, 0.0001052900000000, 0.0003317000000000 ] - [ 0.0001433600000000, -0.0003875700000000, 0.0000700500000000 ] - [ -0.0007355400000000, -0.0016631300000000, 0.0016831500000000 ] - [ -0.0000754000000000, -0.0002757600000000, 0.0004042100000000 ] - [ 0.0000447300000000, -0.0000715700000000, -0.0001838300000000 ] - [ 0.0002337700000000, -0.0002045500000000, -0.0001911200000000 ] - [ 0.0004674900000000, 0.0002597000000000, 0.0001015800000000 ] - [ -0.0000064400000000, 0.0000770700000000, 0.0003202000000000 ] - [ 0.0001040000000000, -0.0000650000000000, -0.0000857100000000 ] - [ -0.0001102900000000, 0.0002326200000000, -0.0001243000000000 ] - [ 0.0000632400000000, 0.0001002800000000, 0.0002736500000000 ] - [ -0.0000833100000000, -0.0000158500000000, -0.0003073900000000 ] - [ -0.0001406600000000, 0.0001041900000000, 0.0000069300000000 ] - [ -0.0006272400000000, -0.0014040100000000, 0.0029040500000000 ] - [ -0.0000416600000000, 0.0000279100000000, -0.0001598200000000 ] - [ 0.0000620400000000, -0.0001132000000000, -0.0001838400000000 ] - [ -0.0000673100000000, -0.0002984200000000, 0.0006811900000000 ] - [ 0.0001311400000000, 0.0000133600000000, -0.0001729800000000 ] - [ 0.0000974100000000, -0.0000849900000000, -0.0000397300000000 ] - [ -0.0000566800000000, 0.0002365600000000, -0.0000918700000000 ] - [ -0.0000690200000000, -0.0001673300000000, 0.0002919400000000 ] - [ -0.0000025400000000, -0.0000244700000000, -0.0000486500000000 ] - [ -0.0003801300000000, -0.0000575600000000, -0.0000402400000000 ] - [ 0.0000054400000000, -0.0000008700000000, 0.0002650900000000 ] - [ 0.0000245000000000, 0.0000364000000000, -0.0003356800000000 ] - [ -0.0000967100000000, 0.0001274700000000, 0.0000076500000000 ] - [ -0.0000432600000000, -0.0001579700000000, 0.0002174000000000 ] - [ -0.0000255800000000, -0.0000153800000000, 0.0000793500000000 ] - [ -0.0000002600000000, -0.0000027900000000, -0.0003082900000000 ] - [ 0.0001187500000000, 0.0002626600000000, 0.0003760900000000 ] - [ -0.0009329700000000, 0.0001147300000000, 0.0000202000000000 ] - [ -0.0001921900000000, 0.0001353100000000, 0.0001414700000000 ] - [ -0.0001669500000000, 0.0001038100000000, -0.0001274800000000 ] - [ -0.0000373700000000, 0.0001272000000000, 0.0001460400000000 ] - [ -0.0002176700000000, -0.0001606600000000, -0.0004620600000000 ] - [ 0.0000349900000000, 0.0000361500000000, 0.0004916400000000 ] - [ 0.0000292300000000, -0.0000091000000000, -0.0005894300000000 ] - [ -0.0016116900000000, -0.0049576700000000, 0.0103043100000000 ] - [ 0.0001220100000000, 0.0002356400000000, -0.0007435800000000 ] - [ -0.0000602500000000, 0.0001286700000000, 0.0000238700000000 ] - [ 0.0000509300000000, 0.0002339200000000, -0.0006742500000000 ] - [ 0.0006907500000000, 0.0011473300000000, -0.0008791100000000 ] - [ 0.0000293000000000, 0.0001866600000000, 0.0000350100000000 ] - [ -0.0001586400000000, -0.0000426100000000, -0.0002812600000000 ] - [ 0.0002938000000000, 0.0013889600000000, -0.0007881400000000 ] - [ -0.0000291500000000, -0.0000813700000000, -0.0004455100000000 ] - [ 0.0091873000000000, 0.0233743200000000, 0.0277257900000000 ] - [ -0.0000039600000000, -0.0002658600000000, -0.0003760400000000 ] - [ -0.0000281800000000, 0.0001591000000000, 0.0001169700000000 ] - [ -0.0000634200000000, -0.0001381000000000, -0.0005050900000000 ] - [ 0.0002853000000000, -0.0002209000000000, 0.0009615400000000 ] - [ -0.0000064000000000, -0.0000034300000000, -0.0002450200000000 ] - [ -0.0001901800000000, -0.0006262700000000, 0.0002166800000000 ] - [ 0.0002286900000000, 0.0007451900000000, -0.0004691300000000 ] - [ 0.0003568400000000, 0.0006249700000000, -0.0005939800000000 ] - [ 0.0000987200000000, 0.0001224000000000, -0.0002278000000000 ] - [ -0.0000231700000000, 0.0002635300000000, -0.0000637000000000 ] - [ -0.0000042500000000, 0.0000646300000000, -0.0003524600000000 ] - [ -0.0000916900000000, 0.0001841900000000, 0.0017276700000000 ] - [ 0.0000541200000000, -0.0000990900000000, -0.0002854100000000 ] - [ 0.0000895100000000, 0.0001273900000000, 0.0004224200000000 ] - [ -0.0010801100000000, 0.0003328400000000, 0.0024035300000000 ] - [ -0.0001590600000000, -0.0000184200000000, -0.0003132700000000 ] - [ 0.0000877300000000, 0.0001197800000000, 0.0001236300000000 ] - [ 0.0000662300000000, -0.0001801100000000, -0.0003181500000000 ] - [ 0.0004833200000000, 0.0004164000000000, -0.0008438800000000 ] - [ -0.0000624600000000, -0.0000469700000000, 0.0000373200000000 ] - [ 0.0000858700000000, 0.0000904700000000, -0.0000343300000000 ] - [ 0.0004718800000000, -0.0009694800000000, -0.0005037800000000 ] - [ 0.0001861000000000, 0.0002030200000000, 0.0015583000000000 ] - [ 0.0000185500000000, 0.0000473100000000, -0.0003719200000000 ] - [ 0.0000584700000000, 0.0000970400000000, 0.0005757400000000 ] - [ 0.0000100400000000, -0.0000318800000000, -0.0002532400000000 ] - [ -0.0001849000000000, -0.0006152300000000, -0.0008570100000000 ] - [ -0.0003257600000000, -0.0010958700000000, -0.0008395700000000 ] - [ 0.0000190600000000, 0.0000070700000000, -0.0000712100000000 ] - [ 0.0000376000000000, -0.0003479900000000, -0.0000606000000000 ] - [ 0.0004925800000000, -0.0004367800000000, 0.0023571000000000 ] - [ -0.0000019100000000, -0.0000689800000000, -0.0001415800000000 ] - [ -0.0000075900000000, 0.0000352300000000, 0.0001655400000000 ] - [ 0.0000315300000000, -0.0001730900000000, -0.0004895900000000 ] - [ -0.0001805900000000, 0.0007332700000000, -0.0007158100000000 ] - [ 0.0000160400000000, 0.0000138500000000, -0.0000888900000000 ] - [ -0.0000156100000000, 0.0003169600000000, -0.0000633800000000 ] - [ -0.0008350500000000, -0.0004925400000000, -0.0004475700000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0002019100000000, -0.0000294900000000, -0.0003979100000000 ] - [ -0.0001515700000000, -0.0000834200000000, 0.0003246300000000 ] - [ 0.0001205200000000, -0.0000270700000000, -0.0001417300000000 ] - [ 0.0003563300000000, -0.0010969200000000, -0.0001763000000000 ] - [ -0.0002209800000000, 0.0003462700000000, -0.0005972500000000 ] - [ -0.0000312000000000, 0.0001756000000000, 0.0001752400000000 ] - [ 0.0000134500000000, 0.0000191300000000, -0.0000719000000000 ] - [ -0.0001560700000000, 0.0009828200000000, -0.0003382500000000 ] - [ 0.0000881500000000, -0.0000672300000000, -0.0004360500000000 ] - [ 0.0001154700000000, -0.0001957800000000, 0.0002676400000000 ] - [ -0.0000511300000000, 0.0000038400000000, -0.0001089500000000 ] - [ -0.0009739500000000, -0.0008614700000000, -0.0003479000000000 ] - [ -0.0002776100000000, 0.0003741700000000, 0.0001825100000000 ] - [ 0.0002008600000000, 0.0000825600000000, -0.0005521300000000 ] - [ 0.0009142800000000, 0.0007310800000000, -0.0004463600000000 ] - [ 0.0001270000000000, -0.0000529700000000, -0.0000450400000000 ] - [ -0.0017708600000000, 0.0041624300000000, -0.0021743400000000 ] - [ -0.0000595100000000, 0.0002194200000000, -0.0002191100000000 ] - [ 0.0000186700000000, 0.0000471300000000, 0.0001110500000000 ] - [ 0.0000022300000000, 0.0001272500000000, -0.0003165100000000 ] - [ 0.0000869400000000, -0.0001766400000000, -0.0004006500000000 ] - [ 0.0012393800000000, -0.0051294100000000, -0.0023958700000000 ] - [ -0.0001393000000000, -0.0001087600000000, -0.0001620000000000 ] - [ -0.0001173000000000, -0.0000516000000000, 0.0000346600000000 ] - [ -0.0000249400000000, 0.0001819000000000, -0.0001680500000000 ] - [ 0.0047191000000000, 0.0021354700000000, -0.0020938600000000 ] - [ 0.0000359900000000, 0.0001390000000000, -0.0003658000000000 ] - [ -0.0000684900000000, -0.0000198800000000, 0.0001207800000000 ] - [ -0.0000275000000000, 0.0001751600000000, -0.0002749300000000 ] - [ -0.0002101300000000, -0.0000079800000000, 0.0016641200000000 ] - [ 0.0000262300000000, 0.0002537300000000, -0.0002665400000000 ] - [ 0.0000114300000000, -0.0002345700000000, 0.0001932000000000 ] - [ -0.0000502000000000, 0.0001833200000000, -0.0000080900000000 ] - [ 0.0004446900000000, -0.0004707300000000, 0.0001061200000000 ] - [ 0.0000045400000000, -0.0000235600000000, -0.0002785900000000 ] - [ 0.0000658300000000, 0.0000429900000000, 0.0001549200000000 ] - [ 0.0003059900000000, 0.0000381500000000, -0.0004167400000000 ] - [ -0.0039998100000000, -0.0021969400000000, -0.0025795400000000 ] - [ -0.0001122900000000, -0.0001620400000000, -0.0001326500000000 ] - [ -0.0000862200000000, -0.0000352100000000, -0.0000502500000000 ] - [ 0.0061620600000000, 0.0192606600000000, 0.0534880600000000 ] - [ -0.0001400900000000, 0.0000944800000000, -0.0002627700000000 ] - [ 0.0001299700000000, -0.0000094500000000, 0.0001363800000000 ] - [ 0.0001292600000000, -0.0000163000000000, -0.0003366100000000 ] - [ -0.0001574000000000, 0.0003095700000000, -0.0004738400000000 ] - [ 0.0007258400000000, 0.0017486900000000, -0.0012930200000000 ] - [ 0.0000898700000000, 0.0001986200000000, -0.0000011300000000 ] - [ -0.0000311900000000, 0.0001505600000000, -0.0002193700000000 ] - [ -0.0003593800000000, 0.0002548800000000, -0.0001221400000000 ] - [ -0.0005940400000000, -0.0003089900000000, 0.0002135200000000 ] - [ 0.0001315600000000, -0.0000280800000000, -0.0000070800000000 ] - [ 0.0000212200000000, 0.0000151300000000, -0.0002263800000000 ] - [ 0.0002654100000000, -0.0003509900000000, 0.0000922400000000 ] - [ 0.0000929600000000, 0.0000181500000000, -0.0002449300000000 ] - [ -0.0000726000000000, -0.0001025700000000, 0.0003390400000000 ] - [ -0.0000165200000000, 0.0000145000000000, -0.0000344900000000 ] - [ 0.0005146100000000, 0.0011891200000000, -0.0025078900000000 ] - [ -0.0000700300000000, 0.0001871000000000, -0.0001838800000000 ] - [ 0.0000501100000000, -0.0001013300000000, -0.0001592200000000 ] - [ 0.0001807000000000, 0.0005162200000000, -0.0003406500000000 ] - [ 0.0000697600000000, 0.0001055100000000, 0.0003993800000000 ] - [ 0.0001049400000000, -0.0000325000000000, -0.0001860600000000 ] - [ -0.0001457800000000, -0.0001193200000000, -0.0001355400000000 ] - [ -0.0001335600000000, 0.0000496300000000, -0.0000666600000000 ] - [ 0.0000643900000000, -0.0001297700000000, -0.0003600800000000 ] - [ 0.0004461600000000, 0.0002125800000000, 0.0004486100000000 ] - [ -0.0000671400000000, -0.0001533300000000, 0.0001436300000000 ] - [ -0.0000865300000000, 0.0001179700000000, -0.0000713200000000 ] - [ 0.0000295700000000, -0.0001644800000000, -0.0002318400000000 ] - [ -0.0000247600000000, 0.0001946400000000, 0.0000077200000000 ] - [ 0.0000931900000000, -0.0000214300000000, 0.0001444500000000 ] - [ 0.0000675800000000, 0.0000400200000000, 0.0000839000000000 ] - [ 0.0002041400000000, -0.0001764400000000, -0.0004301700000000 ] - [ 0.0012562400000000, -0.0002014500000000, 0.0000321600000000 ] - [ -0.0001302500000000, -0.0000485700000000, -0.0000885200000000 ] - [ -0.0001560400000000, -0.0001892600000000, 0.0000737600000000 ] - [ -0.0000178600000000, 0.0000079900000000, -0.0006866900000000 ] - [ 0.0001612500000000, 0.0000270800000000, 0.0010018900000000 ] - [ 0.0000201200000000, 0.0000999600000000, 0.0000470800000000 ] - [ 0.0000254600000000, -0.0001278300000000, 0.0000505400000000 ] - [ 0.0015504400000000, 0.0045922400000000, -0.0094141000000000 ] - [ 0.0000171800000000, -0.0004164400000000, 0.0003241000000000 ] - [ -0.0000797500000000, 0.0000514200000000, -0.0004450600000000 ] - [ -0.0001922900000000, -0.0004175400000000, 0.0010985300000000 ] - [ -0.0003553200000000, -0.0012914800000000, 0.0012029700000000 ] - [ 0.0002997700000000, -0.0000296800000000, -0.0003464000000000 ] - [ -0.0001718400000000, -0.0001149300000000, -0.0000303000000000 ] - [ -0.0006284100000000, -0.0012431300000000, 0.0011007000000000 ] - [ 0.0000860600000000, -0.0001814000000000, 0.0002872500000000 ] - [ -0.0094875600000000, -0.0239834300000000, -0.0280978000000000 ] - [ -0.0000536500000000, 0.0000017200000000, 0.0005352500000000 ] - [ -0.0000284600000000, 0.0001037900000000, -0.0002753900000000 ] - [ 0.0000504700000000, 0.0001693400000000, 0.0004880800000000 ] - [ -0.0003015000000000, 0.0001913100000000, -0.0009433600000000 ] - [ 0.0000195300000000, 0.0000328100000000, 0.0002636800000000 ] - [ 0.0002056800000000, 0.0005976900000000, -0.0002283300000000 ] - [ -0.0002057400000000, -0.0008343800000000, 0.0006095000000000 ] - [ -0.0003402000000000, -0.0005359000000000, 0.0004546700000000 ] - [ -0.0001186300000000, -0.0002107000000000, 0.0000886900000000 ] - [ 0.0000029600000000, -0.0001765300000000, 0.0002036000000000 ] - [ -0.0001170900000000, -0.0001690800000000, 0.0003930800000000 ] - [ -0.0000308600000000, -0.0000761200000000, -0.0017702000000000 ] - [ 0.0000672400000000, -0.0000058500000000, 0.0002463200000000 ] - [ 0.0000309800000000, -0.0000232900000000, -0.0003823700000000 ] - [ 0.0008159900000000, -0.0002019700000000, -0.0022416900000000 ] - [ -0.0000580000000000, -0.0001039500000000, 0.0001705400000000 ] - [ 0.0001303200000000, 0.0000020600000000, -0.0002674400000000 ] - [ 0.0001515800000000, 0.0000585000000000, 0.0004622800000000 ] - [ -0.0005745900000000, -0.0004626700000000, 0.0008504100000000 ] - [ -0.0000272900000000, 0.0000931600000000, -0.0000425400000000 ] - [ 0.0000037800000000, -0.0001372300000000, 0.0000289300000000 ] - [ -0.0003813400000000, 0.0010167400000000, 0.0005098500000000 ] - [ -0.0002196800000000, -0.0001822000000000, -0.0016916000000000 ] - [ -0.0000557200000000, -0.0000657800000000, 0.0005021200000000 ] - [ -0.0000212700000000, -0.0000783300000000, -0.0004456000000000 ] - [ 0.0000268600000000, 0.0000123200000000, 0.0001240800000000 ] - [ 0.0000778100000000, 0.0008642800000000, 0.0008984000000000 ] - [ 0.0002193700000000, 0.0008523900000000, 0.0008050000000000 ] - [ 0.0000885100000000, 0.0002376300000000, 0.0000326200000000 ] - [ 0.0000704800000000, 0.0001026900000000, 0.0000975900000000 ] - [ -0.0005461600000000, 0.0005845000000000, -0.0024035700000000 ] - [ -0.0000892800000000, -0.0001021800000000, 0.0002005700000000 ] - [ 0.0000968700000000, 0.0001322300000000, -0.0001073900000000 ] - [ 0.0000593400000000, 0.0000026200000000, 0.0004320600000000 ] - [ 0.0002227800000000, -0.0007179800000000, 0.0008999400000000 ] - [ 0.0000256300000000, -0.0000315000000000, -0.0000929600000000 ] - [ -0.0000272600000000, -0.0003023900000000, -0.0001182900000000 ] - [ 0.0007929100000000, 0.0004759300000000, 0.0006298800000000 ]- atom: 45 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001323700000000, 0.0001008300000000, 0.0001542200000000 ] - [ -0.0002318500000000, 0.0000255700000000, -0.0001489100000000 ] - [ 0.0000302800000000, -0.0001571800000000, 0.0000943100000000 ] - [ 0.0001560500000000, -0.0000069500000000, 0.0000318700000000 ] - [ 0.0005199000000000, -0.0002980900000000, -0.0003088100000000 ] - [ 0.0019589600000000, -0.0014793500000000, -0.0030398300000000 ] - [ -0.0000545800000000, -0.0000948900000000, 0.0000011400000000 ] - [ 0.0000478900000000, 0.0000205600000000, -0.0000049800000000 ] - [ 0.0000202500000000, 0.0001064700000000, 0.0000532300000000 ] - [ 0.0000250100000000, 0.0000273500000000, 0.0001250500000000 ] - [ -0.0000246500000000, -0.0003425500000000, 0.0000900800000000 ] - [ -0.0000365300000000, -0.0001723700000000, 0.0001303500000000 ] - [ -0.0004959700000000, 0.0022462600000000, 0.0016718500000000 ] - [ 0.0003003500000000, 0.0001943600000000, 0.0003414100000000 ] - [ 0.0001537900000000, 0.0000767100000000, -0.0000072300000000 ] - [ 0.0000869000000000, -0.0001807700000000, 0.0001012500000000 ] - [ 0.0007998600000000, -0.0003727400000000, 0.0002872600000000 ] - [ 0.0040957700000000, -0.0019095100000000, 0.0036050100000000 ] - [ -0.0000697100000000, -0.0000316900000000, 0.0000316700000000 ] - [ 0.0000041700000000, -0.0000138700000000, -0.0000450900000000 ] - [ -0.0000388200000000, 0.0001376200000000, 0.0000275000000000 ] - [ 0.0001206800000000, -0.0000144800000000, 0.0001323900000000 ] - [ -0.0000486500000000, 0.0000388000000000, 0.0000767100000000 ] - [ -0.0001682000000000, -0.0001204300000000, -0.0001830300000000 ] - [ 0.0003531900000000, 0.0025164000000000, -0.0017482000000000 ] - [ 0.0003366600000000, 0.0004344300000000, -0.0007929600000000 ] - [ -0.0000090900000000, 0.0000628800000000, -0.0000624700000000 ] - [ -0.0000692400000000, -0.0001905700000000, -0.0000653900000000 ] - [ -0.0005051300000000, 0.0004341400000000, -0.0001298000000000 ] - [ 0.0002242800000000, 0.0000278200000000, -0.0000071600000000 ] - [ 0.0000538300000000, 0.0001952800000000, -0.0000282000000000 ] - [ 0.0000342300000000, -0.0003047100000000, 0.0000404800000000 ] - [ 0.0003468700000000, 0.0002003400000000, -0.0004099700000000 ] - [ -0.0004820100000000, -0.0002071900000000, -0.0001115500000000 ] - [ 0.0001054500000000, 0.0000736700000000, -0.0003996800000000 ] - [ 0.0001122500000000, 0.0000013700000000, 0.0001404800000000 ] - [ 0.0000874800000000, 0.0001086800000000, -0.0001981100000000 ] - [ 0.0001978300000000, -0.0000389900000000, 0.0001613600000000 ] - [ -0.0000669800000000, -0.0000958200000000, -0.0000102100000000 ] - [ -0.0001004400000000, -0.0003132000000000, -0.0002897900000000 ] - [ 0.0000886500000000, -0.0002013000000000, 0.0001467300000000 ] - [ -0.0002972500000000, -0.0003452000000000, 0.0007277600000000 ] - [ 0.0001064900000000, -0.0001478700000000, -0.0000798500000000 ] - [ 0.0001619900000000, 0.0000488600000000, -0.0000401000000000 ] - [ -0.0433377200000000, 0.0085771500000000, 0.0062817000000000 ] - [ 0.0009961800000000, -0.0003343900000000, 0.0001774800000000 ] - [ 0.0000266200000000, -0.0000451300000000, 0.0001891700000000 ] - [ -0.0000257500000000, -0.0000604600000000, -0.0001927800000000 ] - [ -0.0000049500000000, 0.0000842700000000, -0.0000574900000000 ] - [ -0.0001208100000000, -0.0000471400000000, 0.0001612700000000 ] - [ 0.0001027400000000, 0.0000802400000000, 0.0001098200000000 ] - [ 0.0001351100000000, -0.0000908900000000, -0.0001655700000000 ] - [ 0.0005720200000000, 0.0002989700000000, 0.0005212000000000 ] - [ 0.0014004300000000, 0.0016435500000000, 0.0010766600000000 ] - [ -0.0001080600000000, -0.0000343500000000, -0.0000155800000000 ] - [ -0.0000019000000000, 0.0000537500000000, -0.0000457400000000 ] - [ 0.0002386100000000, -0.0000687200000000, 0.0001594400000000 ] - [ -0.0000164100000000, -0.0027065600000000, -0.0002986700000000 ] - [ 0.0000402400000000, -0.0001446800000000, -0.0001656000000000 ] - [ 0.0000622300000000, 0.0001166600000000, 0.0001673500000000 ] - [ -0.0001053900000000, -0.0001027200000000, 0.0001362300000000 ] - [ 0.0002671900000000, 0.0000355300000000, -0.0001430100000000 ] - [ -0.0000101300000000, 0.0000547700000000, -0.0001222900000000 ] - [ -0.0000866100000000, 0.0001416200000000, 0.0002256500000000 ] - [ 0.0000843800000000, -0.0001160600000000, -0.0002275800000000 ] - [ 0.0000535800000000, 0.0003677900000000, 0.0003454300000000 ] - [ -0.0001571600000000, -0.0003083400000000, 0.0002767000000000 ] - [ -0.0000335400000000, 0.0001325300000000, -0.0002286200000000 ] - [ 0.0000034200000000, -0.0000372700000000, -0.0001200300000000 ] - [ -0.0000456100000000, 0.0000451200000000, 0.0000720100000000 ] - [ -0.0005656400000000, -0.0001223800000000, -0.0000702900000000 ] - [ 0.0004050700000000, 0.0000861500000000, -0.0000345500000000 ] - [ 0.0001545600000000, -0.0000022100000000, 0.0000250400000000 ] - [ 0.0001407400000000, -0.0000269100000000, 0.0000676700000000 ] - [ -0.0002380300000000, -0.0002194500000000, 0.0001196100000000 ] - [ -0.0001565200000000, -0.0000442600000000, -0.0000518000000000 ] - [ 0.0000278300000000, 0.0003304300000000, 0.0001609800000000 ] - [ -0.0003170300000000, 0.0000510900000000, 0.0003610500000000 ] - [ 0.0000076200000000, -0.0000340200000000, 0.0002497000000000 ] - [ 0.0000660600000000, -0.0000759800000000, -0.0002343300000000 ] - [ -0.0007946300000000, 0.0001748200000000, 0.0002839300000000 ] - [ 0.0051782300000000, -0.0031800900000000, 0.0005826000000000 ] - [ -0.0000479600000000, 0.0002338300000000, -0.0001669600000000 ] - [ -0.0001009000000000, -0.0000894700000000, 0.0002694300000000 ] - [ -0.0003784600000000, -0.0001656000000000, 0.0001183800000000 ] - [ 0.0104069700000000, -0.0114228800000000, -0.0095580000000000 ] - [ -0.0000835000000000, 0.0000439300000000, -0.0001914600000000 ] - [ -0.0001861500000000, 0.0000746100000000, 0.0001313200000000 ] - [ 0.0003917900000000, -0.0004929500000000, -0.0002481300000000 ] - [ -0.0000140700000000, 0.0000115400000000, 0.0000681100000000 ] - [ -0.0001713400000000, -0.0000964100000000, 0.0001700100000000 ] - [ 0.0000627000000000, 0.0003318900000000, 0.0000684900000000 ] - [ 0.0001313600000000, -0.0001664000000000, -0.0004483400000000 ] - [ 0.0002157400000000, -0.0000801400000000, -0.0000884000000000 ] - [ 0.0000339200000000, 0.0004352600000000, 0.0000195000000000 ] - [ -0.0000705400000000, 0.0000672500000000, -0.0000147000000000 ] - [ 0.0081632700000000, 0.0035961200000000, 0.0008794300000000 ] - [ 0.0105831500000000, 0.0031783400000000, -0.0008841100000000 ] - [ -0.0000341600000000, -0.0000260000000000, -0.0000651200000000 ] - [ -0.0000482300000000, 0.0000724500000000, 0.0000687300000000 ] - [ -0.0002495400000000, 0.0001311700000000, 0.0002947400000000 ] - [ 0.0001914200000000, -0.0004108100000000, 0.0004046900000000 ] - [ 0.0000129000000000, 0.0001215600000000, -0.0000092500000000 ] - [ -0.0000194400000000, 0.0000621300000000, 0.0000222800000000 ] - [ -0.0000927800000000, 0.0001143400000000, -0.0001170600000000 ] - [ -0.0003790000000000, 0.0005449200000000, -0.0006677200000000 ] - [ 0.0001985800000000, -0.0002259200000000, -0.0002595200000000 ] - [ 0.0003144700000000, -0.0001233100000000, 0.0001425200000000 ] - [ -0.0000813400000000, -0.0000805700000000, -0.0000360300000000 ] - [ -0.0000822400000000, 0.0000486600000000, -0.0000285000000000 ] - [ 0.0006513700000000, -0.0001139100000000, 0.0001132600000000 ] - [ 0.0000681600000000, -0.0001859700000000, -0.0000512600000000 ] - [ -0.0001809500000000, 0.0000807800000000, -0.0004066400000000 ] - [ 0.0004975500000000, -0.0008434000000000, -0.0004343100000000 ] - [ 0.0000317900000000, 0.0000712200000000, 0.0000302600000000 ] - [ -0.0000503800000000, 0.0000635400000000, -0.0000729300000000 ] - [ 0.0000120300000000, 0.0000451800000000, -0.0000131100000000 ] - [ -0.0001133000000000, -0.0000836600000000, -0.0000861200000000 ] - [ -0.0000252500000000, 0.0001998100000000, -0.0000364900000000 ] - [ 0.0000022500000000, -0.0000093700000000, -0.0000286200000000 ] - [ -0.0000555200000000, -0.0000293200000000, 0.0000241400000000 ] - [ 0.0001885500000000, -0.0001528800000000, 0.0002053200000000 ] - [ -0.0003328800000000, 0.0005644200000000, 0.0005379800000000 ] - [ -0.0000922200000000, -0.0001610200000000, 0.0002178400000000 ] - [ 0.0000555100000000, -0.0000330000000000, 0.0000849700000000 ] - [ 0.0000340500000000, -0.0000159100000000, -0.0001067000000000 ] - [ -0.0011283800000000, 0.0005676500000000, 0.0001958600000000 ] - [ -0.0000283100000000, -0.0001628000000000, 0.0003147100000000 ]- atom: 45 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003749800000000, -0.0000962300000000, -0.0001027600000000 ] - [ -0.0000115700000000, -0.0000324500000000, 0.0000949900000000 ] - [ 0.0002129500000000, 0.0001641700000000, -0.0001473400000000 ] - [ 0.0000875000000000, 0.0000016800000000, 0.0000218800000000 ] - [ -0.0005654100000000, 0.0002257700000000, 0.0002825200000000 ] - [ -0.0019921400000000, 0.0015441500000000, 0.0030486000000000 ] - [ 0.0001085900000000, 0.0000289200000000, 0.0000267200000000 ] - [ 0.0000069600000000, 0.0000459000000000, -0.0000243100000000 ] - [ 0.0000945800000000, -0.0001319800000000, -0.0000883300000000 ] - [ 0.0000898800000000, -0.0000035200000000, -0.0000908600000000 ] - [ -0.0000915900000000, 0.0003201100000000, -0.0000558500000000 ] - [ -0.0000790800000000, 0.0002011300000000, -0.0001678200000000 ] - [ 0.0001994800000000, -0.0021071100000000, -0.0016036900000000 ] - [ -0.0005953700000000, -0.0003418600000000, -0.0004018100000000 ] - [ 0.0001394800000000, 0.0000714500000000, -0.0000593600000000 ] - [ 0.0002059200000000, 0.0000326800000000, -0.0000354500000000 ] - [ -0.0008027100000000, 0.0003611300000000, -0.0003304700000000 ] - [ -0.0040436100000000, 0.0019123000000000, -0.0035235500000000 ] - [ 0.0000650300000000, 0.0000200700000000, 0.0000119600000000 ] - [ -0.0000091900000000, 0.0000263800000000, 0.0000010200000000 ] - [ 0.0002081900000000, -0.0000509400000000, -0.0001929700000000 ] - [ 0.0000481800000000, -0.0000739400000000, 0.0000309800000000 ] - [ -0.0001198700000000, 0.0000496500000000, 0.0000883400000000 ] - [ -0.0000002100000000, 0.0000333500000000, 0.0000198100000000 ] - [ -0.0002845400000000, -0.0023960800000000, 0.0017888700000000 ] - [ -0.0002771400000000, -0.0005459900000000, 0.0007297100000000 ] - [ -0.0000476400000000, 0.0000511600000000, 0.0000082500000000 ] - [ 0.0000114000000000, 0.0000764000000000, 0.0001191200000000 ] - [ 0.0004601100000000, -0.0000265400000000, 0.0001357700000000 ] - [ -0.0002726600000000, -0.0004416400000000, -0.0000038400000000 ] - [ -0.0000074600000000, 0.0002162200000000, 0.0000197200000000 ] - [ 0.0000118400000000, -0.0001060400000000, -0.0000315600000000 ] - [ -0.0005055800000000, -0.0002218700000000, 0.0005891900000000 ] - [ 0.0003277700000000, 0.0002230200000000, -0.0000541900000000 ] - [ 0.0000501300000000, -0.0000949600000000, 0.0002218000000000 ] - [ 0.0000448200000000, 0.0000183600000000, 0.0000342400000000 ] - [ 0.0001963600000000, 0.0000058900000000, -0.0001352000000000 ] - [ 0.0000856000000000, -0.0000764200000000, 0.0001688300000000 ] - [ -0.0002177700000000, 0.0002129900000000, 0.0003443800000000 ] - [ -0.0001840700000000, 0.0001989200000000, -0.0000401600000000 ] - [ -0.0003630600000000, 0.0001154100000000, -0.0001541300000000 ] - [ 0.0000188800000000, 0.0004376300000000, -0.0007337400000000 ] - [ 0.0001678000000000, 0.0000598900000000, 0.0000853000000000 ] - [ 0.0001127500000000, 0.0000392400000000, 0.0000358400000000 ] - [ 0.0434444900000000, -0.0085713000000000, -0.0066000300000000 ] - [ -0.0010155200000000, 0.0004147900000000, 0.0002280600000000 ] - [ -0.0000130000000000, -0.0000334100000000, 0.0002134900000000 ] - [ 0.0000395800000000, 0.0001384500000000, -0.0002111800000000 ] - [ -0.0001196700000000, -0.0000339800000000, -0.0002566300000000 ] - [ -0.0000042900000000, -0.0000015600000000, 0.0001510200000000 ] - [ 0.0000231900000000, -0.0000282900000000, 0.0002060900000000 ] - [ -0.0000104300000000, 0.0000432600000000, -0.0001484200000000 ] - [ -0.0004163700000000, -0.0004209100000000, -0.0005553100000000 ] - [ -0.0013054900000000, -0.0015130100000000, -0.0010286400000000 ] - [ -0.0000492100000000, -0.0000841700000000, 0.0000440600000000 ] - [ -0.0001547700000000, 0.0000645400000000, 0.0000170300000000 ] - [ -0.0003520600000000, -0.0001455700000000, 0.0001858400000000 ] - [ -0.0001037200000000, 0.0029160900000000, -0.0000401900000000 ] - [ 0.0000717300000000, -0.0000701000000000, -0.0001782500000000 ] - [ 0.0000498800000000, 0.0000982900000000, 0.0001753600000000 ] - [ 0.0003088100000000, 0.0002199100000000, 0.0000904600000000 ] - [ -0.0000635000000000, -0.0001538300000000, -0.0000811200000000 ] - [ -0.0001925400000000, 0.0000633300000000, -0.0001033800000000 ] - [ -0.0001168200000000, -0.0002607200000000, -0.0000005000000000 ] - [ -0.0000210900000000, -0.0000348800000000, -0.0001814800000000 ] - [ 0.0000072300000000, -0.0002127000000000, 0.0000601400000000 ] - [ 0.0000958500000000, 0.0001559200000000, 0.0001321200000000 ] - [ -0.0000284500000000, 0.0000208500000000, -0.0001802900000000 ] - [ -0.0000704100000000, 0.0000008200000000, -0.0001049500000000 ] - [ -0.0000223500000000, -0.0000086900000000, 0.0001523300000000 ] - [ 0.0006567000000000, 0.0000726900000000, 0.0002810800000000 ] - [ -0.0003414200000000, -0.0000511400000000, -0.0001905800000000 ] - [ 0.0001685500000000, 0.0000887800000000, -0.0000788000000000 ] - [ 0.0001812300000000, -0.0000598100000000, -0.0000161700000000 ] - [ -0.0000855200000000, 0.0003068800000000, -0.0000666000000000 ] - [ -0.0001654300000000, -0.0000421700000000, 0.0000000500000000 ] - [ -0.0000836500000000, -0.0001956800000000, -0.0007033800000000 ] - [ 0.0002624000000000, -0.0001888800000000, 0.0001754100000000 ] - [ 0.0000469500000000, 0.0001705700000000, 0.0002889100000000 ] - [ -0.0000112300000000, -0.0000590000000000, -0.0003053000000000 ] - [ 0.0009329600000000, 0.0000056400000000, 0.0001366300000000 ] - [ -0.0050500400000000, 0.0029376400000000, -0.0009181200000000 ] - [ -0.0000918900000000, -0.0000543000000000, -0.0002531000000000 ] - [ -0.0000391600000000, -0.0000905900000000, 0.0001511300000000 ] - [ 0.0006979400000000, 0.0000104300000000, 0.0001838000000000 ] - [ -0.0102087500000000, 0.0115438400000000, 0.0091860000000000 ] - [ -0.0002462100000000, -0.0002013800000000, -0.0001194000000000 ] - [ -0.0001436400000000, 0.0000824000000000, 0.0001813700000000 ] - [ -0.0003349900000000, 0.0002347400000000, 0.0000926400000000 ] - [ 0.0000699600000000, 0.0002518600000000, 0.0000942000000000 ] - [ 0.0001156400000000, -0.0001671500000000, -0.0000117600000000 ] - [ -0.0001191700000000, -0.0000701400000000, -0.0002302000000000 ] - [ -0.0001460000000000, 0.0001973900000000, 0.0004322400000000 ] - [ -0.0002302800000000, 0.0000521500000000, 0.0001087300000000 ] - [ -0.0000201800000000, -0.0004081100000000, -0.0000010000000000 ] - [ 0.0000858500000000, -0.0000991800000000, -0.0000044600000000 ] - [ -0.0085495200000000, -0.0038502200000000, -0.0007863600000000 ] - [ -0.0101621700000000, -0.0028873300000000, 0.0006834900000000 ] - [ 0.0000138200000000, -0.0000622100000000, -0.0000738200000000 ] - [ 0.0000285800000000, 0.0000155700000000, 0.0000714800000000 ] - [ 0.0001245300000000, -0.0002338000000000, -0.0002499300000000 ] - [ -0.0003103500000000, 0.0005165000000000, -0.0004440600000000 ] - [ 0.0001066600000000, -0.0002249800000000, -0.0000303600000000 ] - [ 0.0001413800000000, 0.0000424700000000, 0.0000173000000000 ] - [ -0.0001254200000000, 0.0000069600000000, 0.0002621900000000 ] - [ 0.0001648000000000, -0.0006665000000000, 0.0005262800000000 ] - [ 0.0000178300000000, 0.0003467800000000, 0.0001151400000000 ] - [ -0.0000972600000000, 0.0000008100000000, -0.0000002900000000 ] - [ -0.0000077500000000, 0.0000340600000000, 0.0000422000000000 ] - [ -0.0000074300000000, -0.0000023900000000, 0.0000241400000000 ] - [ -0.0005654800000000, 0.0000628100000000, -0.0001229200000000 ] - [ 0.0000213500000000, 0.0002289100000000, 0.0000554200000000 ] - [ 0.0001424500000000, -0.0000604100000000, 0.0002782400000000 ] - [ -0.0005321000000000, 0.0008272100000000, 0.0005675900000000 ] - [ 0.0000046600000000, -0.0000528500000000, 0.0000995600000000 ] - [ 0.0000879700000000, -0.0000834600000000, -0.0000563500000000 ] - [ -0.0001203500000000, 0.0002002800000000, 0.0000521400000000 ] - [ 0.0000055400000000, -0.0001615400000000, 0.0000497500000000 ] - [ 0.0001342200000000, 0.0000444800000000, -0.0000021700000000 ] - [ 0.0001050700000000, -0.0002378300000000, 0.0000656000000000 ] - [ -0.0000347500000000, 0.0001986900000000, -0.0000813900000000 ] - [ -0.0002785800000000, -0.0000225400000000, -0.0001428700000000 ] - [ 0.0004256200000000, -0.0003927800000000, -0.0004818900000000 ] - [ 0.0001852500000000, -0.0000099600000000, -0.0002782300000000 ] - [ -0.0000138600000000, 0.0000507000000000, 0.0000978100000000 ] - [ 0.0000067700000000, -0.0000015100000000, -0.0000742700000000 ] - [ 0.0010953200000000, -0.0005497500000000, -0.0003797500000000 ] - [ 0.0000029400000000, 0.0001467900000000, -0.0001330800000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003613300000000, -0.0002418200000000, -0.0000704000000000 ] - [ -0.0000420400000000, -0.0001677000000000, 0.0000096300000000 ] - [ -0.0000667700000000, 0.0006229100000000, -0.0002566700000000 ] - [ 0.0002257400000000, 0.0002499200000000, 0.0000208200000000 ] - [ -0.0011413600000000, -0.0001498900000000, -0.0001074400000000 ] - [ -0.0004538300000000, -0.0010168100000000, 0.0007182600000000 ] - [ -0.0000942800000000, 0.0001405800000000, -0.0000774900000000 ] - [ 0.0000545500000000, 0.0001579800000000, -0.0000183700000000 ] - [ 0.0001719400000000, -0.0002033300000000, -0.0000016300000000 ] - [ -0.0000229800000000, -0.0002236600000000, 0.0001332800000000 ] - [ -0.0001830700000000, 0.0005576400000000, -0.0002472600000000 ] - [ -0.0001807800000000, 0.0006212200000000, -0.0003029800000000 ] - [ 0.0006279700000000, 0.0017872300000000, 0.0029125600000000 ] - [ -0.0002885000000000, -0.0001318100000000, 0.0001939300000000 ] - [ 0.0001301100000000, 0.0001762000000000, -0.0000700800000000 ] - [ 0.0001607000000000, 0.0000762000000000, -0.0000797900000000 ] - [ -0.0011257600000000, -0.0001365200000000, -0.0001868800000000 ] - [ -0.0011746400000000, -0.0004836100000000, -0.0012107900000000 ] - [ -0.0000868200000000, 0.0001873400000000, 0.0001771200000000 ] - [ 0.0000207100000000, 0.0001586200000000, 0.0000201600000000 ] - [ 0.0002457000000000, -0.0003202000000000, -0.0001300200000000 ] - [ 0.0000564200000000, -0.0002086600000000, 0.0000070000000000 ] - [ -0.0000688200000000, 0.0002917500000000, 0.0001053700000000 ] - [ -0.0001796800000000, 0.0004472300000000, 0.0001406500000000 ] - [ 0.0018668300000000, 0.0026434500000000, -0.0037258400000000 ] - [ 0.0002014800000000, -0.0000627000000000, -0.0004822700000000 ] - [ -0.0001125900000000, 0.0001493800000000, 0.0000430700000000 ] - [ -0.0000202500000000, 0.0000827000000000, 0.0001554900000000 ] - [ 0.0002031300000000, -0.0007785400000000, 0.0008831400000000 ] - [ -0.0002480400000000, -0.0006234000000000, -0.0002399000000000 ] - [ 0.0000423900000000, 0.0004936200000000, -0.0000090400000000 ] - [ -0.0000820100000000, 0.0001808400000000, -0.0000548800000000 ] - [ -0.0000678800000000, 0.0001387700000000, 0.0000729600000000 ] - [ 0.0006418300000000, 0.0018930100000000, -0.0015054000000000 ] - [ 0.0001571800000000, 0.0001416300000000, 0.0009295000000000 ] - [ 0.0001103900000000, -0.0000026900000000, 0.0002137700000000 ] - [ 0.0001424300000000, -0.0002294900000000, -0.0003061700000000 ] - [ 0.0001226500000000, -0.0001187800000000, 0.0001042000000000 ] - [ -0.0002723400000000, 0.0004639800000000, 0.0005602400000000 ] - [ -0.0001984500000000, 0.0003027500000000, 0.0001410800000000 ] - [ -0.0001933200000000, 0.0001446900000000, -0.0003511000000000 ] - [ -0.0004788400000000, 0.0006460700000000, -0.0017090500000000 ] - [ 0.0000532900000000, 0.0001799300000000, 0.0002394600000000 ] - [ 0.0001397900000000, 0.0001724900000000, 0.0001094800000000 ] - [ 0.0082832100000000, -0.0630754500000000, -0.0147396700000000 ] - [ 0.0003681500000000, -0.0008328100000000, 0.0001465900000000 ] - [ 0.0000128200000000, 0.0001164300000000, 0.0001830400000000 ] - [ -0.0000928200000000, 0.0002712200000000, -0.0002924800000000 ] - [ -0.0000725300000000, 0.0002060800000000, -0.0001489700000000 ] - [ 0.0000050100000000, 0.0000871500000000, 0.0001791000000000 ] - [ -0.0003194400000000, -0.0005810300000000, 0.0004336300000000 ] - [ 0.0004663200000000, -0.0001653300000000, 0.0001764600000000 ] - [ 0.0000046500000000, 0.0001027700000000, 0.0003324600000000 ] - [ 0.0008035500000000, -0.0015632600000000, -0.0028182000000000 ] - [ -0.0000103400000000, 0.0001108100000000, -0.0000932500000000 ] - [ -0.0000156000000000, 0.0000708000000000, -0.0001035300000000 ] - [ -0.0003520800000000, -0.0002505800000000, 0.0000816100000000 ] - [ -0.0027175600000000, 0.0056711000000000, -0.0002786000000000 ] - [ 0.0000441600000000, -0.0000263900000000, -0.0001697600000000 ] - [ 0.0000511800000000, 0.0001596700000000, 0.0001902100000000 ] - [ 0.0003809500000000, 0.0007105400000000, 0.0000574900000000 ] - [ 0.0004067500000000, 0.0000791000000000, -0.0000124000000000 ] - [ -0.0001346200000000, 0.0000989400000000, -0.0000016600000000 ] - [ -0.0001216800000000, -0.0002218300000000, 0.0001076800000000 ] - [ -0.0000355800000000, -0.0000890000000000, -0.0004607200000000 ] - [ -0.0002229800000000, -0.0005554600000000, -0.0004578000000000 ] - [ 0.0000947700000000, 0.0002103700000000, -0.0000451100000000 ] - [ -0.0000118400000000, 0.0000635700000000, -0.0002501000000000 ] - [ 0.0000161800000000, -0.0000399800000000, -0.0001651500000000 ] - [ -0.0001606600000000, -0.0002304000000000, 0.0004681400000000 ] - [ 0.0007084700000000, 0.0029717000000000, 0.0032228900000000 ] - [ 0.0003227000000000, 0.0002238400000000, -0.0001914700000000 ] - [ 0.0002387700000000, -0.0001235800000000, -0.0001127800000000 ] - [ 0.0001395900000000, -0.0001694700000000, -0.0000502700000000 ] - [ -0.0000064800000000, 0.0008870100000000, -0.0002219200000000 ] - [ -0.0001526300000000, 0.0003564800000000, 0.0000297300000000 ] - [ -0.0001981600000000, -0.0004340400000000, -0.0006002400000000 ] - [ -0.0000388100000000, -0.0006661500000000, 0.0000570900000000 ] - [ 0.0000353400000000, 0.0003819100000000, 0.0002473400000000 ] - [ 0.0000347200000000, 0.0002542000000000, -0.0003021900000000 ] - [ 0.0005465600000000, 0.0003611200000000, 0.0002113800000000 ] - [ -0.0037729100000000, 0.0123726600000000, -0.0030342400000000 ] - [ 0.0000672200000000, -0.0002951200000000, -0.0003723900000000 ] - [ -0.0000592800000000, -0.0003398800000000, 0.0001484600000000 ] - [ 0.0005903500000000, 0.0004140700000000, 0.0006442200000000 ] - [ -0.0097777300000000, 0.0315418000000000, 0.0211265000000000 ] - [ -0.0000721600000000, -0.0002758900000000, -0.0000274100000000 ] - [ -0.0001718700000000, -0.0000708000000000, 0.0001626600000000 ] - [ -0.0003092400000000, 0.0012615300000000, 0.0001927500000000 ] - [ 0.0000426500000000, 0.0003614800000000, 0.0002615100000000 ] - [ 0.0002460400000000, -0.0004336400000000, -0.0001789700000000 ] - [ 0.0000532900000000, -0.0003413000000000, -0.0005973200000000 ] - [ -0.0001519500000000, 0.0003080800000000, 0.0003032800000000 ] - [ -0.0000508700000000, 0.0003596600000000, 0.0002001900000000 ] - [ 0.0002756300000000, -0.0010018900000000, -0.0000244100000000 ] - [ 0.0001345900000000, -0.0005897900000000, -0.0001559800000000 ] - [ 0.0043829500000000, 0.0041413300000000, 0.0006251200000000 ] - [ 0.0024387100000000, 0.0024270600000000, -0.0001111800000000 ] - [ 0.0001245700000000, -0.0002374500000000, -0.0001176800000000 ] - [ -0.0000162200000000, -0.0000620800000000, 0.0000729900000000 ] - [ -0.0001588300000000, 0.0008072700000000, 0.0003974000000000 ] - [ -0.0002312300000000, 0.0005233600000000, 0.0000625600000000 ] - [ 0.0003644600000000, -0.0008670700000000, -0.0001533400000000 ] - [ 0.0000881900000000, -0.0002032000000000, -0.0001317400000000 ] - [ -0.0000364700000000, 0.0000067000000000, 0.0003996200000000 ] - [ 0.0000366800000000, -0.0001683500000000, 0.0003372100000000 ] - [ 0.0002077700000000, -0.0006134000000000, -0.0007327100000000 ] - [ -0.0004722700000000, -0.0003110000000000, -0.0001816600000000 ] - [ 0.0000432300000000, 0.0000234000000000, 0.0000337000000000 ] - [ -0.0000551200000000, 0.0000948300000000, 0.0000243900000000 ] - [ -0.0009789500000000, -0.0013284900000000, -0.0001001000000000 ] - [ -0.0001499400000000, -0.0002479000000000, 0.0000585900000000 ] - [ -0.0002740000000000, 0.0008113400000000, -0.0003949300000000 ] - [ -0.0003702000000000, 0.0008846300000000, 0.0000410200000000 ] - [ 0.0001001700000000, -0.0003292700000000, 0.0001322500000000 ] - [ -0.0000202400000000, -0.0002807000000000, 0.0000817700000000 ] - [ -0.0001622900000000, 0.0002595500000000, 0.0000603000000000 ] - [ -0.0000099000000000, -0.0000103300000000, 0.0000699100000000 ] - [ -0.0001013700000000, -0.0002633100000000, -0.0000103400000000 ] - [ 0.0002988800000000, -0.0006841400000000, 0.0000855200000000 ] - [ -0.0000874300000000, -0.0001082000000000, 0.0001034900000000 ] - [ 0.0001435600000000, -0.0006494400000000, 0.0006553000000000 ] - [ 0.0000847700000000, 0.0001264800000000, -0.0004070300000000 ] - [ 0.0003434700000000, 0.0000756100000000, -0.0004271700000000 ] - [ -0.0001145800000000, -0.0000153600000000, 0.0000891300000000 ] - [ -0.0000124700000000, -0.0000422800000000, -0.0000602300000000 ] - [ 0.0013367200000000, 0.0003885500000000, -0.0003102700000000 ] - [ -0.0003173200000000, 0.0002022800000000, -0.0001970900000000 ]- atom: 45 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001168700000000, 0.0002453700000000, 0.0001232300000000 ] - [ -0.0002016400000000, 0.0001612500000000, -0.0000616000000000 ] - [ 0.0003081500000000, -0.0006135700000000, 0.0002042200000000 ] - [ 0.0000185100000000, -0.0002546400000000, 0.0000320200000000 ] - [ 0.0010780100000000, 0.0000803200000000, 0.0000751900000000 ] - [ 0.0003943500000000, 0.0010918700000000, -0.0006808600000000 ] - [ 0.0001485100000000, -0.0002044700000000, 0.0001066000000000 ] - [ 0.0000003600000000, -0.0000910100000000, -0.0000102000000000 ] - [ -0.0000557700000000, 0.0001761000000000, -0.0000332700000000 ] - [ 0.0001381600000000, 0.0002482800000000, -0.0000973400000000 ] - [ 0.0000700500000000, -0.0005780600000000, 0.0002842400000000 ] - [ 0.0000647300000000, -0.0005906800000000, 0.0002633100000000 ] - [ -0.0009407400000000, -0.0016464000000000, -0.0028731000000000 ] - [ -0.0000081800000000, -0.0000192100000000, -0.0002608800000000 ] - [ 0.0001630000000000, -0.0000280900000000, 0.0000041100000000 ] - [ 0.0001328500000000, -0.0002223400000000, 0.0001451900000000 ] - [ 0.0011311100000000, 0.0001181500000000, 0.0001427900000000 ] - [ 0.0011681600000000, 0.0005140500000000, 0.0012405100000000 ] - [ 0.0000810300000000, -0.0001979000000000, -0.0001331400000000 ] - [ -0.0000255100000000, -0.0001452600000000, -0.0000630800000000 ] - [ -0.0000779100000000, 0.0004067800000000, -0.0000367600000000 ] - [ 0.0001122400000000, 0.0001191700000000, 0.0001573400000000 ] - [ -0.0000996900000000, -0.0002021300000000, 0.0000592900000000 ] - [ 0.0000102000000000, -0.0005326800000000, -0.0003060400000000 ] - [ -0.0018478400000000, -0.0025430600000000, 0.0038074400000000 ] - [ -0.0001457000000000, -0.0000537400000000, 0.0004283900000000 ] - [ 0.0000539700000000, -0.0000353500000000, -0.0000957900000000 ] - [ -0.0000365700000000, -0.0001942000000000, -0.0001006700000000 ] - [ -0.0002498000000000, 0.0011890700000000, -0.0008879700000000 ] - [ 0.0001998900000000, 0.0002092000000000, 0.0002306800000000 ] - [ 0.0000038900000000, -0.0000803900000000, 0.0000006800000000 ] - [ 0.0001280100000000, -0.0005892100000000, 0.0000622600000000 ] - [ -0.0000874400000000, -0.0001551800000000, 0.0000999300000000 ] - [ -0.0007866400000000, -0.0018478100000000, 0.0013064700000000 ] - [ 0.0000008200000000, -0.0001606400000000, -0.0010930700000000 ] - [ 0.0000469400000000, 0.0000226800000000, -0.0000379800000000 ] - [ 0.0001431000000000, 0.0003460200000000, -0.0000286100000000 ] - [ 0.0001614900000000, 0.0000022300000000, 0.0002277100000000 ] - [ -0.0000130500000000, -0.0003448800000000, -0.0002231500000000 ] - [ -0.0000837600000000, -0.0004158800000000, -0.0004742900000000 ] - [ -0.0000816000000000, -0.0002339300000000, 0.0003460800000000 ] - [ 0.0002024800000000, -0.0005519900000000, 0.0017028500000000 ] - [ 0.0002214900000000, -0.0002667300000000, -0.0002347900000000 ] - [ 0.0001353700000000, -0.0000835700000000, -0.0001125700000000 ] - [ -0.0088808600000000, 0.0639840200000000, 0.0149015800000000 ] - [ -0.0003810500000000, 0.0009049500000000, 0.0002546700000000 ] - [ 0.0000011000000000, -0.0001936000000000, 0.0002206600000000 ] - [ 0.0001061600000000, -0.0001917500000000, -0.0001119500000000 ] - [ -0.0000524700000000, -0.0001563800000000, -0.0001652400000000 ] - [ -0.0001287200000000, -0.0001352500000000, 0.0001364300000000 ] - [ 0.0004403500000000, 0.0006223300000000, -0.0001140700000000 ] - [ -0.0003386400000000, 0.0001139400000000, -0.0004869600000000 ] - [ 0.0001536400000000, -0.0002180200000000, -0.0003567900000000 ] - [ -0.0006424300000000, 0.0016480300000000, 0.0028004900000000 ] - [ -0.0001454300000000, -0.0002263900000000, 0.0001205200000000 ] - [ -0.0001413200000000, 0.0000479500000000, 0.0000753800000000 ] - [ 0.0002364300000000, 0.0000326400000000, 0.0002593100000000 ] - [ 0.0026600500000000, -0.0055667300000000, -0.0000720200000000 ] - [ 0.0000680200000000, -0.0001872300000000, -0.0001737500000000 ] - [ 0.0000609800000000, 0.0000551100000000, 0.0001538400000000 ] - [ -0.0001738500000000, -0.0005853100000000, 0.0001654800000000 ] - [ -0.0002019600000000, -0.0001949700000000, -0.0002128700000000 ] - [ -0.0000682600000000, 0.0000193100000000, -0.0002230500000000 ] - [ -0.0000816600000000, 0.0001009200000000, 0.0001184400000000 ] - [ 0.0000969200000000, -0.0000643800000000, 0.0000502000000000 ] - [ 0.0002816700000000, 0.0006996400000000, 0.0008626100000000 ] - [ -0.0001539900000000, -0.0003587900000000, 0.0004503300000000 ] - [ -0.0000498400000000, 0.0000900900000000, -0.0001591800000000 ] - [ -0.0000830100000000, 0.0000036800000000, -0.0000584900000000 ] - [ 0.0000915200000000, 0.0002619000000000, -0.0002390800000000 ] - [ -0.0006175700000000, -0.0029319200000000, -0.0029328500000000 ] - [ -0.0002537000000000, -0.0001850600000000, -0.0000337400000000 ] - [ 0.0000838000000000, 0.0002099400000000, 0.0000594200000000 ] - [ 0.0001825900000000, 0.0000809400000000, 0.0001026200000000 ] - [ -0.0003131800000000, -0.0007911600000000, 0.0002713600000000 ] - [ -0.0001706200000000, -0.0004398200000000, -0.0000836300000000 ] - [ 0.0001407600000000, 0.0005662400000000, 0.0000590500000000 ] - [ -0.0000169100000000, 0.0005299300000000, 0.0004851400000000 ] - [ 0.0000202000000000, -0.0002448200000000, 0.0002929000000000 ] - [ 0.0000200200000000, -0.0003877000000000, -0.0002379300000000 ] - [ -0.0004062800000000, -0.0001767800000000, 0.0002128100000000 ] - [ 0.0041111000000000, -0.0129095400000000, 0.0030242700000000 ] - [ -0.0002065400000000, 0.0004724400000000, -0.0000474500000000 ] - [ -0.0000801700000000, 0.0001587100000000, 0.0002701300000000 ] - [ -0.0002572900000000, -0.0005657000000000, -0.0003273000000000 ] - [ 0.0105280300000000, -0.0321226600000000, -0.0223604900000000 ] - [ -0.0002580000000000, 0.0001164900000000, -0.0002837600000000 ] - [ -0.0001576200000000, 0.0002276200000000, 0.0001486300000000 ] - [ 0.0003671000000000, -0.0015236600000000, -0.0003454500000000 ] - [ 0.0000135200000000, -0.0000962100000000, -0.0001029400000000 ] - [ -0.0002993500000000, 0.0001681900000000, 0.0003345200000000 ] - [ -0.0001096300000000, 0.0006026800000000, 0.0004399900000000 ] - [ 0.0001366100000000, -0.0002755800000000, -0.0003186500000000 ] - [ 0.0000368500000000, -0.0003910900000000, -0.0001850000000000 ] - [ -0.0002614300000000, 0.0010267300000000, 0.0000365400000000 ] - [ -0.0001183000000000, 0.0005558500000000, 0.0001370300000000 ] - [ -0.0044122900000000, -0.0042135300000000, -0.0004847200000000 ] - [ -0.0023673300000000, -0.0023137300000000, -0.0000300800000000 ] - [ -0.0001431300000000, 0.0001483600000000, -0.0000225400000000 ] - [ -0.0000034700000000, 0.0001491900000000, 0.0000665100000000 ] - [ 0.0000335400000000, -0.0009105500000000, -0.0003572700000000 ] - [ 0.0001090600000000, -0.0004126000000000, -0.0001037500000000 ] - [ -0.0002386800000000, 0.0007532600000000, 0.0001106400000000 ] - [ 0.0000328500000000, 0.0003063200000000, 0.0001714200000000 ] - [ -0.0001796500000000, 0.0001168400000000, -0.0002537300000000 ] - [ -0.0002504500000000, 0.0000431200000000, -0.0004777000000000 ] - [ 0.0000098700000000, 0.0007311600000000, 0.0005854200000000 ] - [ 0.0006818100000000, 0.0001879300000000, 0.0003222400000000 ] - [ -0.0001319800000000, -0.0000680600000000, -0.0000289200000000 ] - [ -0.0000336500000000, -0.0000495100000000, -0.0000292200000000 ] - [ 0.0010752100000000, 0.0012748500000000, 0.0000951500000000 ] - [ 0.0002369800000000, 0.0002943000000000, -0.0000514600000000 ] - [ 0.0002353100000000, -0.0007904100000000, 0.0002631000000000 ] - [ 0.0003327800000000, -0.0008916000000000, 0.0000888700000000 ] - [ -0.0000626800000000, 0.0003469600000000, -0.0000014000000000 ] - [ 0.0000568800000000, 0.0002596300000000, -0.0002115500000000 ] - [ 0.0000536700000000, -0.0000118700000000, -0.0000220300000000 ] - [ -0.0000983800000000, -0.0002341200000000, -0.0001067800000000 ] - [ 0.0002062500000000, 0.0005061800000000, -0.0000275000000000 ] - [ -0.0001884500000000, 0.0004357300000000, -0.0000459300000000 ] - [ -0.0000046600000000, 0.0002798300000000, -0.0001608200000000 ] - [ -0.0002374800000000, 0.0004732100000000, -0.0005943600000000 ] - [ 0.0000075300000000, 0.0000405800000000, 0.0004599600000000 ] - [ -0.0002482200000000, -0.0002404600000000, 0.0003645500000000 ] - [ 0.0001549200000000, 0.0000340800000000, 0.0000923700000000 ] - [ 0.0000539300000000, 0.0000232900000000, -0.0001210300000000 ] - [ -0.0013806100000000, -0.0003794600000000, 0.0001282200000000 ] - [ 0.0002212400000000, -0.0001161900000000, 0.0003652900000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000012900000000, 0.0001229300000000, 0.0003364100000000 ] - [ -0.0001875500000000, 0.0000095600000000, 0.0004042900000000 ] - [ 0.0000960300000000, 0.0000797700000000, -0.0002136500000000 ] - [ 0.0001835000000000, 0.0000326500000000, -0.0000593900000000 ] - [ -0.0010255200000000, 0.0002064800000000, -0.0007172800000000 ] - [ -0.0030441800000000, 0.0018561300000000, 0.0020064800000000 ] - [ 0.0001730300000000, -0.0000516400000000, 0.0002407900000000 ] - [ -0.0000042100000000, 0.0000516800000000, 0.0001437300000000 ] - [ 0.0000807300000000, 0.0000599600000000, 0.0001766700000000 ] - [ 0.0000586700000000, 0.0000614600000000, 0.0004253800000000 ] - [ -0.0001274500000000, -0.0000641300000000, -0.0001823400000000 ] - [ -0.0000576300000000, -0.0000195300000000, -0.0001275700000000 ] - [ 0.0005294300000000, 0.0037250200000000, 0.0019397900000000 ] - [ -0.0003451100000000, -0.0000962900000000, -0.0004863100000000 ] - [ 0.0001555200000000, 0.0000382900000000, 0.0001425500000000 ] - [ 0.0001029700000000, -0.0001852800000000, 0.0002509200000000 ] - [ 0.0012456300000000, -0.0004212200000000, -0.0002453000000000 ] - [ 0.0033519700000000, -0.0018168200000000, 0.0011118800000000 ] - [ -0.0000616600000000, 0.0001439100000000, 0.0003175000000000 ] - [ 0.0000095800000000, 0.0000409700000000, 0.0000937000000000 ] - [ 0.0003060600000000, -0.0001021000000000, 0.0002959200000000 ] - [ 0.0000593200000000, -0.0001443500000000, 0.0003839900000000 ] - [ -0.0000931700000000, 0.0000455500000000, -0.0000322700000000 ] - [ -0.0001246700000000, 0.0001243000000000, -0.0002085400000000 ] - [ -0.0011111100000000, -0.0033346400000000, 0.0016942300000000 ] - [ -0.0000910100000000, -0.0001252000000000, -0.0002702800000000 ] - [ -0.0001166100000000, 0.0001071600000000, 0.0001098300000000 ] - [ 0.0000164100000000, 0.0001464000000000, 0.0003807700000000 ] - [ 0.0000121900000000, -0.0003012500000000, 0.0023985200000000 ] - [ 0.0000115300000000, -0.0003707900000000, 0.0003577000000000 ] - [ -0.0000120000000000, 0.0001845700000000, -0.0000008300000000 ] - [ 0.0000076400000000, -0.0001659200000000, 0.0001078100000000 ] - [ 0.0000869900000000, -0.0000995300000000, -0.0004119400000000 ] - [ -0.0006965900000000, -0.0018836900000000, 0.0005720300000000 ] - [ 0.0001301900000000, 0.0001251400000000, 0.0007612200000000 ] - [ 0.0001371000000000, -0.0000002800000000, 0.0002881400000000 ] - [ -0.0000333800000000, -0.0002065800000000, 0.0002934900000000 ] - [ 0.0002019700000000, -0.0001688000000000, 0.0004146200000000 ] - [ -0.0001381800000000, 0.0000508200000000, -0.0000137600000000 ] - [ -0.0001238900000000, 0.0001439800000000, -0.0003039500000000 ] - [ -0.0000196700000000, -0.0004125600000000, 0.0002692600000000 ] - [ 0.0002529900000000, -0.0010377800000000, 0.0014829100000000 ] - [ 0.0000526200000000, 0.0002717100000000, 0.0002045100000000 ] - [ 0.0001486800000000, 0.0000980600000000, 0.0000153700000000 ] - [ 0.0061698300000000, -0.0142597000000000, -0.0464989900000000 ] - [ 0.0000176700000000, -0.0000150700000000, -0.0003868800000000 ] - [ -0.0000053100000000, -0.0000201800000000, 0.0003972100000000 ] - [ -0.0000024000000000, 0.0001303700000000, 0.0001927900000000 ] - [ -0.0000691600000000, -0.0000812400000000, 0.0001082400000000 ] - [ -0.0000672200000000, -0.0001641800000000, 0.0005794600000000 ] - [ -0.0001609400000000, -0.0003508200000000, -0.0001236700000000 ] - [ 0.0005383900000000, -0.0002039600000000, -0.0000899500000000 ] - [ -0.0001778100000000, 0.0002674600000000, -0.0001447700000000 ] - [ 0.0003901300000000, -0.0020074600000000, -0.0019857700000000 ] - [ -0.0001053800000000, -0.0000888100000000, 0.0003811800000000 ] - [ -0.0001980600000000, 0.0000788800000000, 0.0001365200000000 ] - [ -0.0000298600000000, -0.0002579200000000, -0.0003108200000000 ] - [ -0.0002814400000000, 0.0005025500000000, -0.0019144200000000 ] - [ 0.0000778500000000, -0.0001418500000000, 0.0001055800000000 ] - [ 0.0000527700000000, 0.0000981000000000, 0.0003408200000000 ] - [ -0.0001515700000000, -0.0004672300000000, -0.0000010400000000 ] - [ -0.0001671700000000, -0.0002533800000000, -0.0004279500000000 ] - [ -0.0001117600000000, 0.0000079100000000, 0.0001233700000000 ] - [ -0.0001873200000000, -0.0002827000000000, 0.0001726600000000 ] - [ 0.0001155700000000, -0.0001040400000000, 0.0001699600000000 ] - [ 0.0002822900000000, 0.0004807200000000, 0.0011962100000000 ] - [ 0.0000879500000000, 0.0002555500000000, 0.0000373200000000 ] - [ -0.0000460300000000, 0.0001397300000000, -0.0002942500000000 ] - [ -0.0000803300000000, -0.0000909900000000, -0.0000565400000000 ] - [ 0.0000640700000000, 0.0001302500000000, -0.0002021800000000 ] - [ 0.0006193900000000, 0.0026391500000000, 0.0023849500000000 ] - [ 0.0003836600000000, 0.0003985500000000, -0.0002143400000000 ] - [ 0.0001293200000000, 0.0000000200000000, 0.0002170700000000 ] - [ 0.0002075100000000, -0.0001510500000000, 0.0003495800000000 ] - [ 0.0000569700000000, 0.0003709400000000, -0.0003064500000000 ] - [ -0.0002562100000000, 0.0001655200000000, -0.0001976200000000 ] - [ -0.0000271200000000, 0.0002682100000000, 0.0003261200000000 ] - [ -0.0000415000000000, 0.0000697700000000, 0.0011029500000000 ] - [ 0.0000386600000000, 0.0001525800000000, 0.0002469200000000 ] - [ 0.0000796400000000, 0.0000322900000000, -0.0002191600000000 ] - [ -0.0004480900000000, 0.0003872700000000, 0.0009633400000000 ] - [ 0.0016559800000000, -0.0028836600000000, 0.0066033200000000 ] - [ -0.0000524800000000, -0.0001403900000000, -0.0008514500000000 ] - [ -0.0000170200000000, -0.0001469300000000, -0.0000426100000000 ] - [ 0.0003375500000000, 0.0000887200000000, 0.0014222300000000 ] - [ -0.0073691100000000, 0.0192713000000000, 0.0237518900000000 ] - [ -0.0002349800000000, -0.0000521200000000, -0.0005719900000000 ] - [ -0.0001524300000000, 0.0000611800000000, -0.0001556700000000 ] - [ -0.0002427900000000, 0.0006136100000000, -0.0006760100000000 ] - [ -0.0000777900000000, 0.0003765800000000, -0.0003545500000000 ] - [ -0.0000692800000000, -0.0001516200000000, 0.0001734000000000 ] - [ 0.0000512000000000, -0.0000806800000000, 0.0000070800000000 ] - [ 0.0001888200000000, -0.0001077900000000, -0.0005621000000000 ] - [ 0.0001486100000000, -0.0003709700000000, -0.0008208800000000 ] - [ 0.0000674100000000, -0.0001066800000000, 0.0000218300000000 ] - [ 0.0000163700000000, -0.0000568100000000, -0.0000236000000000 ] - [ 0.0001285400000000, 0.0001763800000000, 0.0021952800000000 ] - [ -0.0009541600000000, -0.0001762900000000, 0.0019767900000000 ] - [ 0.0000545000000000, -0.0001574100000000, -0.0003503900000000 ] - [ 0.0000297800000000, -0.0000196200000000, -0.0001661200000000 ] - [ 0.0005517400000000, -0.0002834400000000, -0.0003457500000000 ] - [ 0.0000110300000000, 0.0007521700000000, -0.0006189300000000 ] - [ 0.0003920500000000, -0.0005076300000000, -0.0001167700000000 ] - [ 0.0000622200000000, -0.0001188100000000, -0.0000913200000000 ] - [ -0.0001368700000000, 0.0003278400000000, -0.0000919100000000 ] - [ -0.0003593000000000, 0.0004966100000000, -0.0004953600000000 ] - [ 0.0002537900000000, -0.0008272300000000, -0.0008351800000000 ] - [ -0.0003720400000000, -0.0002200800000000, 0.0000024700000000 ] - [ -0.0000422400000000, 0.0000594400000000, -0.0003826300000000 ] - [ -0.0000360400000000, 0.0001585300000000, -0.0004572300000000 ] - [ -0.0001076400000000, -0.0001061400000000, 0.0014928000000000 ] - [ -0.0000225400000000, 0.0001272500000000, 0.0004080100000000 ] - [ -0.0005756700000000, 0.0002942200000000, -0.0006891800000000 ] - [ -0.0000986800000000, -0.0004954700000000, -0.0004009600000000 ] - [ -0.0000310400000000, -0.0000158000000000, -0.0000099800000000 ] - [ 0.0000374300000000, 0.0000454300000000, -0.0001014200000000 ] - [ 0.0000506400000000, 0.0001509500000000, -0.0004596000000000 ] - [ -0.0001573500000000, -0.0001248300000000, -0.0005117300000000 ] - [ -0.0000972500000000, 0.0001006400000000, 0.0003622200000000 ] - [ 0.0002182500000000, -0.0001690800000000, 0.0003792300000000 ] - [ -0.0000797100000000, 0.0001530700000000, -0.0001075300000000 ] - [ -0.0002251700000000, 0.0004187700000000, -0.0003735700000000 ] - [ 0.0002631900000000, -0.0005870100000000, -0.0008463600000000 ] - [ 0.0003079700000000, -0.0003123500000000, 0.0000033400000000 ] - [ -0.0000898300000000, -0.0000319700000000, -0.0002046100000000 ] - [ 0.0000123800000000, 0.0000016400000000, -0.0004920300000000 ] - [ 0.0001969400000000, 0.0001565500000000, 0.0014820700000000 ] - [ -0.0001278400000000, 0.0000666100000000, 0.0014209900000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0002425200000000, -0.0001185500000000, -0.0002845900000000 ] - [ -0.0000548300000000, -0.0000163400000000, -0.0004580700000000 ] - [ 0.0001466500000000, -0.0000716900000000, 0.0001605300000000 ] - [ 0.0000605300000000, -0.0000386800000000, 0.0001127800000000 ] - [ 0.0009643200000000, -0.0002725400000000, 0.0006780200000000 ] - [ 0.0030280500000000, -0.0018053200000000, -0.0019877600000000 ] - [ -0.0001186900000000, -0.0000134400000000, -0.0002126700000000 ] - [ 0.0000590000000000, 0.0000149500000000, -0.0001723400000000 ] - [ 0.0000348200000000, -0.0000861500000000, -0.0002119300000000 ] - [ 0.0000559900000000, -0.0000383800000000, -0.0003912800000000 ] - [ 0.0000124100000000, 0.0000418700000000, 0.0002174000000000 ] - [ -0.0000563300000000, 0.0000404000000000, 0.0000957800000000 ] - [ -0.0008399500000000, -0.0036187000000000, -0.0018870700000000 ] - [ 0.0000494700000000, -0.0000522200000000, 0.0004188500000000 ] - [ 0.0001378800000000, 0.0001096100000000, -0.0002082200000000 ] - [ 0.0001904000000000, 0.0000380000000000, -0.0001854400000000 ] - [ -0.0012465300000000, 0.0004101500000000, 0.0002093000000000 ] - [ -0.0033205100000000, 0.0018282700000000, -0.0010720200000000 ] - [ 0.0000564800000000, -0.0001566700000000, -0.0002744400000000 ] - [ -0.0000140800000000, -0.0000282100000000, -0.0001375500000000 ] - [ -0.0001366200000000, 0.0001878400000000, -0.0004629400000000 ] - [ 0.0001094400000000, 0.0000561100000000, -0.0002198900000000 ] - [ -0.0000749000000000, 0.0000428300000000, 0.0001966400000000 ] - [ -0.0000434300000000, -0.0002115500000000, 0.0000449700000000 ] - [ 0.0011545100000000, 0.0034340700000000, -0.0016493300000000 ] - [ 0.0001478000000000, 0.0000093600000000, 0.0002198400000000 ] - [ 0.0000584000000000, 0.0000067000000000, -0.0001637900000000 ] - [ -0.0000730200000000, -0.0002603600000000, -0.0003270600000000 ] - [ -0.0000609700000000, 0.0007167300000000, -0.0023467400000000 ] - [ -0.0000589400000000, -0.0000407900000000, -0.0003679600000000 ] - [ 0.0000587500000000, 0.0002270100000000, -0.0000088300000000 ] - [ 0.0000387300000000, -0.0002453800000000, -0.0000991800000000 ] - [ -0.0002445900000000, 0.0000800300000000, 0.0005853100000000 ] - [ 0.0005474300000000, 0.0019278900000000, -0.0007469300000000 ] - [ 0.0000273100000000, -0.0001438400000000, -0.0009290900000000 ] - [ 0.0000197200000000, 0.0000202700000000, -0.0001136200000000 ] - [ 0.0003182000000000, 0.0003194300000000, -0.0006273500000000 ] - [ 0.0000820200000000, 0.0000532300000000, -0.0000830800000000 ] - [ -0.0001449300000000, 0.0000616600000000, 0.0003422900000000 ] - [ -0.0001604200000000, -0.0002589600000000, -0.0000265300000000 ] - [ -0.0002557400000000, 0.0003255200000000, -0.0002746700000000 ] - [ -0.0005306800000000, 0.0011343300000000, -0.0014931800000000 ] - [ 0.0002227900000000, -0.0003613600000000, -0.0002007500000000 ] - [ 0.0001269200000000, -0.0000096900000000, -0.0000201200000000 ] - [ -0.0067160600000000, 0.0153818400000000, 0.0463068800000000 ] - [ -0.0000329400000000, 0.0000929200000000, 0.0007909800000000 ] - [ 0.0000190700000000, -0.0000577100000000, 0.0000060700000000 ] - [ 0.0000159600000000, -0.0000501000000000, -0.0005963200000000 ] - [ -0.0000554500000000, 0.0001310300000000, -0.0004221600000000 ] - [ -0.0000579000000000, 0.0001147500000000, -0.0002677800000000 ] - [ 0.0002853500000000, 0.0004012400000000, 0.0004377300000000 ] - [ -0.0004147400000000, 0.0001537400000000, -0.0002233200000000 ] - [ 0.0003370200000000, -0.0003867600000000, 0.0001165600000000 ] - [ -0.0002358000000000, 0.0020831000000000, 0.0020162100000000 ] - [ -0.0000516400000000, -0.0000293000000000, -0.0003521100000000 ] - [ 0.0000413800000000, 0.0000393800000000, -0.0001653900000000 ] - [ -0.0000773400000000, 0.0000440400000000, 0.0006538700000000 ] - [ 0.0001710000000000, -0.0002874000000000, 0.0015843100000000 ] - [ 0.0000344200000000, -0.0000724600000000, -0.0004496900000000 ] - [ 0.0000594300000000, 0.0001167400000000, 0.0000025600000000 ] - [ 0.0003555500000000, 0.0005902500000000, 0.0002289300000000 ] - [ 0.0003712500000000, 0.0001367500000000, 0.0002028800000000 ] - [ -0.0000906300000000, 0.0001098600000000, -0.0003493700000000 ] - [ -0.0000157000000000, 0.0001629500000000, 0.0000519600000000 ] - [ -0.0000546600000000, -0.0000492800000000, -0.0005801700000000 ] - [ -0.0002201700000000, -0.0003252000000000, -0.0007974700000000 ] - [ -0.0001488000000000, -0.0004068900000000, 0.0003705100000000 ] - [ -0.0000158100000000, 0.0000137500000000, -0.0001144200000000 ] - [ 0.0000133100000000, 0.0000544100000000, -0.0001682000000000 ] - [ -0.0001319500000000, -0.0000945500000000, 0.0004282100000000 ] - [ -0.0005387400000000, -0.0026284600000000, -0.0021408800000000 ] - [ -0.0003166900000000, -0.0003622500000000, -0.0000084700000000 ] - [ 0.0001932800000000, 0.0000860500000000, -0.0002705300000000 ] - [ 0.0001156200000000, 0.0000647400000000, -0.0002984200000000 ] - [ -0.0003785600000000, -0.0002808800000000, 0.0003575000000000 ] - [ -0.0000659800000000, -0.0002525300000000, 0.0001449400000000 ] - [ -0.0000294200000000, -0.0001346000000000, -0.0008660600000000 ] - [ -0.0000123000000000, -0.0002109700000000, -0.0005753500000000 ] - [ 0.0000169300000000, -0.0000146700000000, 0.0002924800000000 ] - [ -0.0000240800000000, -0.0001689400000000, -0.0003192500000000 ] - [ 0.0005887700000000, -0.0002063400000000, -0.0005466600000000 ] - [ -0.0013401700000000, 0.0023065600000000, -0.0067195000000000 ] - [ -0.0000873900000000, 0.0003202800000000, 0.0004325200000000 ] - [ -0.0001225900000000, -0.0000338400000000, 0.0004634100000000 ] - [ -0.0000098900000000, -0.0002424800000000, -0.0011046900000000 ] - [ 0.0080155100000000, -0.0199163000000000, -0.0246089800000000 ] - [ -0.0000949000000000, -0.0001070100000000, 0.0002617500000000 ] - [ -0.0001772300000000, 0.0000956900000000, 0.0004671900000000 ] - [ 0.0002947400000000, -0.0008662500000000, 0.0005293200000000 ] - [ 0.0001343800000000, -0.0001140900000000, 0.0005142700000000 ] - [ 0.0000102200000000, -0.0001115500000000, -0.0000142500000000 ] - [ -0.0001078400000000, 0.0003430400000000, -0.0001681200000000 ] - [ -0.0002025000000000, 0.0001393300000000, 0.0005446800000000 ] - [ -0.0001658800000000, 0.0003469200000000, 0.0008427600000000 ] - [ -0.0000529700000000, 0.0001312000000000, -0.0000045700000000 ] - [ -0.0000041200000000, 0.0000287500000000, 0.0000060500000000 ] - [ -0.0000800800000000, -0.0002591200000000, -0.0020480600000000 ] - [ 0.0009567600000000, 0.0002516300000000, -0.0021094200000000 ] - [ -0.0000732100000000, 0.0000683700000000, 0.0002104200000000 ] - [ -0.0000496300000000, 0.0001073500000000, 0.0003062600000000 ] - [ -0.0006746500000000, 0.0001801000000000, 0.0003882700000000 ] - [ -0.0001326100000000, -0.0006504000000000, 0.0005784500000000 ] - [ -0.0002658700000000, 0.0003977700000000, 0.0000767600000000 ] - [ 0.0000590800000000, 0.0002235100000000, 0.0001308200000000 ] - [ -0.0000793900000000, -0.0002065200000000, 0.0002328800000000 ] - [ 0.0001464000000000, -0.0006179100000000, 0.0003521900000000 ] - [ -0.0000374500000000, 0.0009512200000000, 0.0006940600000000 ] - [ 0.0005832300000000, 0.0000979000000000, 0.0001395100000000 ] - [ -0.0000458600000000, -0.0001057200000000, 0.0003879300000000 ] - [ -0.0000534400000000, -0.0001127300000000, 0.0004536000000000 ] - [ 0.0001932800000000, 0.0000591300000000, -0.0015037500000000 ] - [ 0.0001101600000000, -0.0000797900000000, -0.0004013200000000 ] - [ 0.0005415200000000, -0.0002769800000000, 0.0005595000000000 ] - [ 0.0000632600000000, 0.0004827100000000, 0.0005317700000000 ] - [ 0.0000690600000000, 0.0000351200000000, 0.0001388000000000 ] - [ -0.0000007900000000, -0.0000657800000000, -0.0000279400000000 ] - [ -0.0001600700000000, 0.0000958200000000, 0.0004987300000000 ] - [ 0.0000501600000000, -0.0001200000000000, 0.0004756200000000 ] - [ 0.0002045000000000, 0.0001437100000000, -0.0004009800000000 ] - [ -0.0001071400000000, -0.0000766400000000, -0.0003406500000000 ] - [ -0.0000114600000000, 0.0000181500000000, 0.0000488200000000 ] - [ 0.0001316500000000, -0.0005934800000000, 0.0004335600000000 ] - [ -0.0001725500000000, 0.0007606300000000, 0.0009061100000000 ] - [ -0.0002140500000000, 0.0001450500000000, -0.0000595400000000 ] - [ 0.0001299500000000, 0.0000501600000000, 0.0003859500000000 ] - [ 0.0000288400000000, -0.0000194600000000, 0.0003116200000000 ] - [ -0.0002358900000000, -0.0001363000000000, -0.0016672700000000 ] - [ 0.0000736100000000, -0.0000634400000000, -0.0012424200000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0005246400000000, 0.0012636100000000, -0.0005380300000000 ] - [ 0.0002737500000000, -0.0005903700000000, -0.0003147600000000 ] - [ 0.0002782900000000, -0.0000231800000000, -0.0000458900000000 ] - [ 0.0001542800000000, 0.0000932400000000, 0.0000700600000000 ] - [ -0.0002045900000000, 0.0002216700000000, -0.0002832400000000 ] - [ 0.0000010800000000, -0.0000046900000000, 0.0000304000000000 ] - [ 0.0003540300000000, 0.0001213100000000, 0.0001257500000000 ] - [ 0.0000107000000000, 0.0001819600000000, -0.0000286200000000 ] - [ -0.0003253300000000, 0.0004515000000000, -0.0005300600000000 ] - [ 0.0003014500000000, -0.0003427600000000, 0.0002435500000000 ] - [ 0.0003419400000000, 0.0005142000000000, 0.0003814800000000 ] - [ -0.0000726000000000, 0.0001354700000000, 0.0000391500000000 ] - [ -0.0001279500000000, 0.0000246500000000, 0.0000667800000000 ] - [ -0.0001630600000000, -0.0001055800000000, -0.0000390600000000 ] - [ 0.0001720300000000, 0.0002429400000000, -0.0000296300000000 ] - [ 0.0012763200000000, 0.0004194400000000, -0.0007579200000000 ] - [ 0.0000424800000000, -0.0000469400000000, 0.0000627700000000 ] - [ 0.0002785600000000, -0.0005227500000000, 0.0003459900000000 ] - [ 0.0000613700000000, 0.0000354800000000, -0.0000648300000000 ] - [ -0.0000195600000000, 0.0004560900000000, -0.0002050800000000 ] - [ 0.0012580500000000, -0.0000898100000000, 0.0003253200000000 ] - [ -0.0000411100000000, 0.0005013000000000, 0.0008411300000000 ] - [ -0.0001122100000000, 0.0002974900000000, 0.0001800700000000 ] - [ -0.0000553300000000, -0.0000329900000000, -0.0000824800000000 ] - [ 0.0002906300000000, -0.0003211100000000, -0.0002626200000000 ] - [ -0.0000349000000000, -0.0000726500000000, 0.0000497500000000 ] - [ 0.0000013500000000, 0.0003049200000000, -0.0000320500000000 ] - [ -0.0000913600000000, 0.0002500100000000, -0.0002639500000000 ] - [ 0.0004408300000000, 0.0001368500000000, 0.0000069900000000 ] - [ -0.0001263200000000, -0.0002771000000000, 0.0001610000000000 ] - [ -0.0000623400000000, 0.0003282900000000, -0.0001226000000000 ] - [ 0.0000356100000000, -0.0001324000000000, -0.0001111300000000 ] - [ -0.0004165200000000, -0.0001113700000000, 0.0000611200000000 ] - [ -0.0000397500000000, 0.0000155500000000, -0.0000966500000000 ] - [ 0.0000324300000000, 0.0000416300000000, -0.0000183500000000 ] - [ -0.0006451900000000, -0.0003353300000000, 0.0002328600000000 ] - [ 0.0013181100000000, 0.0000619000000000, -0.0004362200000000 ] - [ -0.0000105800000000, 0.0003032500000000, 0.0005721000000000 ] - [ -0.0001572700000000, 0.0001855300000000, 0.0001609400000000 ] - [ -0.0001150300000000, -0.0000726600000000, -0.0001165100000000 ] - [ -0.0002020700000000, 0.0000548700000000, 0.0002944900000000 ] - [ 0.0006173900000000, -0.0001172300000000, -0.0005318300000000 ] - [ 0.0001619700000000, -0.0000850600000000, -0.0000665700000000 ] - [ 0.0001347100000000, 0.0002214600000000, -0.0000431100000000 ] - [ 0.0000502100000000, -0.0000492200000000, -0.0002090200000000 ] - [ -0.0000653100000000, -0.0000279800000000, 0.0002062800000000 ] - [ 0.0000470100000000, 0.0003427900000000, -0.0000227400000000 ] - [ 0.0000794900000000, 0.0004394500000000, -0.0006754500000000 ] - [ -0.0455397700000000, -0.0048986900000000, -0.0016275100000000 ] - [ -0.0000812300000000, -0.0002902600000000, -0.0001074400000000 ] - [ 0.0000243700000000, -0.0000579800000000, 0.0003327800000000 ] - [ 0.0000039800000000, 0.0000289500000000, -0.0000612300000000 ] - [ 0.0000578500000000, -0.0001294200000000, 0.0000771900000000 ] - [ 0.0001290600000000, 0.0000954000000000, -0.0000314600000000 ] - [ -0.0001361000000000, -0.0001641700000000, 0.0001014100000000 ] - [ 0.0012646200000000, -0.0030228700000000, -0.0008638400000000 ] - [ -0.0001092900000000, -0.0000735300000000, 0.0001466900000000 ] - [ -0.0000041800000000, 0.0000426400000000, -0.0002049100000000 ] - [ 0.0002831700000000, 0.0001406200000000, -0.0001845800000000 ] - [ 0.0000762900000000, 0.0003878000000000, 0.0000948100000000 ] - [ 0.0001024700000000, 0.0000785500000000, 0.0002016400000000 ] - [ -0.0002671200000000, -0.0001499800000000, 0.0011184700000000 ] - [ -0.0005704100000000, -0.0002350100000000, -0.0000181200000000 ] - [ -0.0000664000000000, 0.0000248200000000, 0.0000955000000000 ] - [ -0.0002938900000000, 0.0002582800000000, -0.0006132000000000 ] - [ 0.0000268800000000, 0.0000874300000000, 0.0001928800000000 ] - [ -0.0000440600000000, -0.0000940100000000, 0.0001583800000000 ] - [ 0.0013991400000000, 0.0001116200000000, 0.0002328400000000 ] - [ 0.0123686700000000, -0.0020810700000000, -0.0018512200000000 ] - [ 0.0000054300000000, 0.0003274300000000, 0.0002023100000000 ] - [ 0.0000519300000000, 0.0000260100000000, 0.0000364700000000 ] - [ 0.0000372500000000, -0.0000261100000000, -0.0001454200000000 ] - [ 0.0052450800000000, 0.0014150600000000, -0.0005200400000000 ] - [ 0.0007919400000000, 0.0002480000000000, 0.0002617600000000 ] - [ -0.0000826200000000, 0.0002978700000000, 0.0000713900000000 ] - [ -0.0001054800000000, -0.0000910200000000, 0.0000303600000000 ] - [ -0.0002772700000000, -0.0011408900000000, -0.0005659500000000 ] - [ 0.0000662900000000, -0.0000808600000000, 0.0003763000000000 ] - [ 0.0002509400000000, 0.0003525700000000, 0.0004116500000000 ] - [ 0.0000106400000000, -0.0001350700000000, -0.0001133900000000 ] - [ 0.0001342000000000, 0.0001602200000000, -0.0000231500000000 ] - [ -0.0003423700000000, -0.0000551500000000, -0.0001096500000000 ] - [ -0.0002114800000000, -0.0000110100000000, 0.0002106000000000 ] - [ 0.0000277900000000, -0.0005024200000000, 0.0002685500000000 ] - [ 0.0004248900000000, -0.0001095100000000, 0.0002216800000000 ] - [ 0.0001423200000000, 0.0001501000000000, -0.0001979100000000 ] - [ -0.0010021600000000, -0.0003019000000000, 0.0003554600000000 ] - [ -0.0002594000000000, -0.0001889000000000, 0.0002294700000000 ] - [ -0.0007900900000000, -0.0008982100000000, 0.0001189400000000 ] - [ 0.0003090300000000, -0.0001394100000000, -0.0009093800000000 ] - [ 0.0000482100000000, -0.0003515300000000, 0.0001539800000000 ] - [ -0.0000587800000000, 0.0001390700000000, -0.0000682800000000 ] - [ 0.0002408900000000, -0.0024834800000000, 0.0037853700000000 ] - [ -0.0004954800000000, 0.0000480900000000, -0.0002270800000000 ] - [ -0.0004414300000000, -0.0002811200000000, -0.0000517900000000 ] - [ 0.0000429700000000, -0.0001305500000000, -0.0000846800000000 ] - [ 0.0001131900000000, 0.0000968800000000, 0.0001452300000000 ] - [ 0.0000447300000000, 0.0001172700000000, -0.0001361400000000 ] - [ -0.0000452100000000, -0.0002485300000000, -0.0000295900000000 ] - [ 0.0000199500000000, -0.0002552400000000, 0.0005164800000000 ] - [ 0.0038255300000000, 0.0027559100000000, -0.0029729700000000 ] - [ 0.0000770500000000, 0.0001742800000000, -0.0000848300000000 ] - [ 0.0000158100000000, -0.0002279700000000, -0.0000520900000000 ] - [ 0.0001918100000000, -0.0000050300000000, 0.0000532600000000 ] - [ -0.0002966000000000, -0.0000781300000000, -0.0000871000000000 ] - [ 0.0038051700000000, 0.0020546400000000, 0.0041328100000000 ] - [ 0.0000805300000000, 0.0001718900000000, -0.0001079000000000 ] - [ 0.0000969400000000, -0.0004153500000000, 0.0001893100000000 ] - [ -0.0003889200000000, -0.0004628000000000, -0.0001589100000000 ] - [ 0.0075460500000000, 0.0037784400000000, -0.0057067800000000 ] - [ 0.0001780700000000, 0.0001267900000000, -0.0000066100000000 ] - [ 0.0000705000000000, -0.0001038600000000, -0.0000523200000000 ] - [ 0.0000036300000000, 0.0001884700000000, -0.0003007000000000 ] - [ 0.0001230600000000, 0.0001887000000000, 0.0002168800000000 ] - [ 0.0000012300000000, -0.0001048800000000, 0.0000754700000000 ] - [ -0.0010442000000000, -0.0021743000000000, -0.0004296000000000 ] - [ 0.0011525500000000, 0.0000965900000000, 0.0000814300000000 ] - [ 0.0067884100000000, 0.0039486100000000, 0.0052723100000000 ] - [ 0.0000576800000000, 0.0000212200000000, -0.0002630800000000 ] - [ 0.0000201700000000, -0.0001867800000000, -0.0000129600000000 ] - [ -0.0000127400000000, -0.0001319200000000, -0.0001185000000000 ] - [ 0.0001143300000000, 0.0002635000000000, 0.0002310400000000 ] - [ 0.0001226800000000, 0.0002373600000000, 0.0001173000000000 ] - [ -0.0002471600000000, -0.0004171100000000, 0.0002682300000000 ] - [ 0.0000367300000000, -0.0004207500000000, 0.0001102700000000 ] - [ -0.0001116800000000, 0.0003538100000000, -0.0001160000000000 ] - [ -0.0000538700000000, 0.0001383800000000, -0.0003419000000000 ] - [ -0.0001230700000000, -0.0000622100000000, 0.0001316900000000 ]- atom: 49 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0007691200000000, -0.0012609000000000, 0.0005952600000000 ] - [ -0.0005216000000000, 0.0005882000000000, 0.0002644500000000 ] - [ -0.0000346500000000, 0.0000280800000000, -0.0000070900000000 ] - [ 0.0000901200000000, -0.0000991300000000, -0.0000173700000000 ] - [ 0.0001479400000000, -0.0002853600000000, 0.0002533400000000 ] - [ -0.0000555400000000, 0.0000711100000000, -0.0000020100000000 ] - [ -0.0003047600000000, -0.0001901700000000, -0.0000980900000000 ] - [ 0.0000446500000000, -0.0001150600000000, -0.0000008100000000 ] - [ 0.0004429000000000, -0.0004759500000000, 0.0004939300000000 ] - [ -0.0001882700000000, 0.0003673600000000, -0.0002096000000000 ] - [ -0.0004550400000000, -0.0005434800000000, -0.0003467900000000 ] - [ -0.0000435300000000, -0.0001088800000000, -0.0000756500000000 ] - [ -0.0001660200000000, 0.0001229600000000, -0.0000018800000000 ] - [ -0.0001302500000000, -0.0000437200000000, -0.0000264800000000 ] - [ 0.0001201500000000, -0.0000946100000000, -0.0000373000000000 ] - [ -0.0009803200000000, -0.0005582200000000, 0.0008216400000000 ] - [ -0.0000377300000000, 0.0000349400000000, -0.0001072600000000 ] - [ -0.0002747300000000, 0.0005388800000000, -0.0003045800000000 ] - [ -0.0000681600000000, -0.0000482400000000, 0.0001087600000000 ] - [ 0.0000150700000000, -0.0004426300000000, 0.0001605900000000 ] - [ -0.0010887100000000, 0.0001735400000000, -0.0004995600000000 ] - [ 0.0002051500000000, -0.0005910300000000, -0.0006808200000000 ] - [ -0.0000571200000000, -0.0002089200000000, -0.0000143300000000 ] - [ -0.0001136300000000, -0.0000548900000000, -0.0000823400000000 ] - [ -0.0002334500000000, 0.0004354500000000, 0.0003144300000000 ] - [ 0.0000928200000000, -0.0000413100000000, -0.0001039000000000 ] - [ -0.0000595100000000, -0.0001912500000000, -0.0000210100000000 ] - [ 0.0000375400000000, -0.0003684700000000, 0.0003195000000000 ] - [ -0.0004909600000000, 0.0002746300000000, -0.0000012800000000 ] - [ 0.0000802300000000, -0.0001346800000000, -0.0001706200000000 ] - [ 0.0001079200000000, 0.0000852000000000, 0.0001163400000000 ] - [ 0.0000103500000000, -0.0002788800000000, 0.0001211100000000 ] - [ 0.0002581800000000, 0.0000945400000000, 0.0001178100000000 ] - [ -0.0001180300000000, 0.0000049000000000, -0.0000777300000000 ] - [ 0.0001246600000000, -0.0000616800000000, -0.0001570100000000 ] - [ 0.0007974100000000, 0.0003544300000000, -0.0000651500000000 ] - [ -0.0010192000000000, 0.0000644000000000, 0.0000990300000000 ] - [ 0.0002955000000000, -0.0004181500000000, -0.0002400800000000 ] - [ -0.0001265300000000, -0.0000703700000000, 0.0001704600000000 ] - [ -0.0001687300000000, -0.0000429600000000, -0.0002153900000000 ] - [ -0.0000726300000000, -0.0001429000000000, -0.0002985100000000 ] - [ -0.0008880300000000, 0.0002067700000000, 0.0005297000000000 ] - [ 0.0001126100000000, -0.0000036700000000, 0.0000713800000000 ] - [ 0.0001392600000000, -0.0001331200000000, 0.0000396400000000 ] - [ -0.0000642800000000, -0.0000290900000000, -0.0001952400000000 ] - [ 0.0000513800000000, 0.0001058000000000, 0.0001970100000000 ] - [ -0.0000324300000000, -0.0004170000000000, 0.0004236200000000 ] - [ -0.0000658600000000, -0.0003654300000000, 0.0002777000000000 ] - [ 0.0455449600000000, 0.0049482000000000, 0.0012403300000000 ] - [ -0.0000452600000000, 0.0002417500000000, 0.0004219800000000 ] - [ 0.0000999300000000, 0.0001070900000000, -0.0000189300000000 ] - [ 0.0001213700000000, -0.0000798400000000, -0.0002539100000000 ] - [ 0.0000982000000000, 0.0000115000000000, -0.0001074000000000 ] - [ 0.0000269400000000, 0.0000237400000000, 0.0000607100000000 ] - [ -0.0000203300000000, 0.0000473600000000, -0.0000730900000000 ] - [ -0.0014379500000000, 0.0031396300000000, 0.0008152600000000 ] - [ -0.0000030700000000, -0.0001406200000000, 0.0001957700000000 ] - [ -0.0001078600000000, 0.0001723400000000, -0.0001392600000000 ] - [ -0.0001712000000000, -0.0003579300000000, -0.0001590900000000 ] - [ 0.0000356000000000, -0.0001727500000000, 0.0002486600000000 ] - [ 0.0000999500000000, 0.0000399000000000, 0.0000236600000000 ] - [ 0.0004668500000000, 0.0000321500000000, -0.0013528200000000 ] - [ 0.0003692300000000, 0.0003550300000000, -0.0002141800000000 ] - [ -0.0001368200000000, -0.0001426000000000, 0.0001293100000000 ] - [ 0.0003585600000000, -0.0004192300000000, 0.0002038000000000 ] - [ 0.0000344900000000, 0.0000657900000000, 0.0002162400000000 ] - [ -0.0000181000000000, -0.0000599400000000, 0.0002504800000000 ] - [ -0.0014495000000000, 0.0000298800000000, -0.0006151700000000 ] - [ -0.0124056600000000, 0.0019672800000000, 0.0016084500000000 ] - [ -0.0000736500000000, -0.0002922400000000, 0.0000216100000000 ] - [ 0.0000155300000000, -0.0000622800000000, 0.0001869300000000 ] - [ 0.0000300000000000, 0.0000632400000000, -0.0000783900000000 ] - [ -0.0049954300000000, -0.0012871300000000, 0.0004810800000000 ] - [ -0.0004764200000000, -0.0003376300000000, -0.0002098800000000 ] - [ -0.0002404600000000, -0.0002109400000000, -0.0000191900000000 ] - [ -0.0002178500000000, 0.0000047400000000, -0.0000836000000000 ] - [ 0.0002301600000000, 0.0012701200000000, 0.0000355300000000 ] - [ -0.0001229500000000, -0.0000548400000000, 0.0001630400000000 ] - [ -0.0001946500000000, -0.0002162300000000, 0.0001271600000000 ] - [ 0.0000450300000000, 0.0000017400000000, -0.0004309900000000 ] - [ 0.0000060300000000, 0.0000208800000000, 0.0004447600000000 ] - [ 0.0004836200000000, -0.0001262800000000, -0.0003058300000000 ] - [ 0.0000730000000000, 0.0001928400000000, -0.0006345800000000 ] - [ -0.0001672600000000, 0.0003219100000000, 0.0001491000000000 ] - [ -0.0000919100000000, -0.0000464600000000, 0.0000894300000000 ] - [ 0.0001855700000000, 0.0000094300000000, -0.0001149300000000 ] - [ 0.0006661400000000, 0.0001404100000000, -0.0006662300000000 ] - [ -0.0000708800000000, 0.0003463600000000, 0.0000854300000000 ] - [ 0.0008537300000000, 0.0006321700000000, -0.0002632900000000 ] - [ -0.0002565600000000, 0.0004047600000000, 0.0010706300000000 ] - [ -0.0001052000000000, 0.0000886000000000, 0.0000040800000000 ] - [ 0.0000027200000000, 0.0001237300000000, -0.0000910500000000 ] - [ -0.0002655000000000, 0.0025239600000000, -0.0038144100000000 ] - [ 0.0004852900000000, -0.0000776300000000, 0.0002456800000000 ] - [ 0.0004561100000000, 0.0003119300000000, 0.0000695500000000 ] - [ -0.0000306900000000, 0.0001005300000000, 0.0000705800000000 ] - [ -0.0000928000000000, -0.0001854400000000, -0.0000039100000000 ] - [ -0.0000254900000000, -0.0000299700000000, -0.0000027000000000 ] - [ 0.0000274000000000, 0.0001620500000000, -0.0001108900000000 ] - [ -0.0000449000000000, 0.0003410900000000, -0.0003757100000000 ] - [ -0.0038536100000000, -0.0028038800000000, 0.0028876100000000 ] - [ -0.0001989000000000, -0.0000704000000000, 0.0000443800000000 ] - [ 0.0001059600000000, 0.0001238400000000, 0.0000128700000000 ] - [ -0.0000735400000000, 0.0001101000000000, -0.0000122800000000 ] - [ 0.0000801700000000, 0.0001996000000000, 0.0002319600000000 ] - [ -0.0041738100000000, -0.0022077800000000, -0.0044489700000000 ] - [ 0.0001390400000000, -0.0000491600000000, -0.0000338800000000 ] - [ 0.0001197600000000, 0.0002935700000000, -0.0000460500000000 ] - [ 0.0003023100000000, 0.0004178000000000, 0.0001644100000000 ] - [ -0.0078329100000000, -0.0038101600000000, 0.0059228500000000 ] - [ -0.0000893400000000, -0.0001716800000000, 0.0000023700000000 ] - [ 0.0000181900000000, 0.0001496900000000, 0.0000577800000000 ] - [ -0.0000397900000000, -0.0001690200000000, 0.0001728300000000 ] - [ -0.0001622300000000, -0.0002105500000000, -0.0000867800000000 ] - [ 0.0000375200000000, 0.0001250100000000, 0.0000538500000000 ] - [ 0.0010799000000000, 0.0021439000000000, 0.0002927800000000 ] - [ -0.0012548500000000, 0.0001521800000000, -0.0000416100000000 ] - [ -0.0067135400000000, -0.0040989700000000, -0.0051222900000000 ] - [ 0.0000504700000000, 0.0002256900000000, 0.0002259700000000 ] - [ 0.0000888700000000, -0.0000584700000000, 0.0000513300000000 ] - [ -0.0000787500000000, 0.0003029000000000, 0.0000602800000000 ] - [ -0.0002052800000000, -0.0004386300000000, -0.0001782900000000 ] - [ -0.0000333800000000, -0.0000664600000000, -0.0000596500000000 ] - [ 0.0003404300000000, 0.0002458200000000, -0.0003288700000000 ] - [ 0.0000027600000000, 0.0004392500000000, 0.0000721400000000 ] - [ 0.0001577500000000, -0.0003705100000000, -0.0000653800000000 ] - [ 0.0000121100000000, -0.0001206600000000, 0.0001618800000000 ] - [ 0.0000816000000000, 0.0000438000000000, 0.0000511300000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0010023300000000, 0.0004426000000000, 0.0008437600000000 ] - [ 0.0005884500000000, -0.0000485500000000, -0.0004189500000000 ] - [ 0.0002975400000000, -0.0001924100000000, -0.0001579100000000 ] - [ 0.0000549500000000, -0.0000802500000000, -0.0000800900000000 ] - [ -0.0001759100000000, 0.0001741300000000, -0.0001377300000000 ] - [ 0.0000046800000000, 0.0001125200000000, -0.0001415100000000 ] - [ 0.0002057200000000, -0.0001431000000000, 0.0003428800000000 ] - [ -0.0000158900000000, -0.0001053700000000, 0.0000328800000000 ] - [ -0.0000489600000000, -0.0005604500000000, 0.0008909200000000 ] - [ 0.0002163300000000, 0.0001310400000000, 0.0000754800000000 ] - [ -0.0003173600000000, -0.0001508200000000, -0.0000430000000000 ] - [ -0.0000227400000000, -0.0001279100000000, -0.0001452700000000 ] - [ -0.0001338600000000, 0.0001476800000000, -0.0001180500000000 ] - [ -0.0002591200000000, 0.0001378800000000, -0.0001410500000000 ] - [ 0.0001004900000000, -0.0001002300000000, -0.0000616900000000 ] - [ 0.0011747600000000, 0.0005479100000000, -0.0008628700000000 ] - [ 0.0000002200000000, 0.0000437800000000, -0.0001871400000000 ] - [ 0.0000803500000000, 0.0000885600000000, 0.0000129600000000 ] - [ 0.0000024400000000, -0.0000397100000000, 0.0000781100000000 ] - [ -0.0000374900000000, -0.0002824900000000, 0.0001183200000000 ] - [ 0.0000326300000000, 0.0003978400000000, -0.0000997500000000 ] - [ -0.0003846400000000, -0.0001073900000000, -0.0001984700000000 ] - [ -0.0001036200000000, -0.0001641500000000, 0.0000318500000000 ] - [ -0.0000540000000000, -0.0000715900000000, -0.0001854500000000 ] - [ 0.0005984100000000, 0.0001906700000000, -0.0003973800000000 ] - [ 0.0000154200000000, -0.0000441800000000, -0.0002327100000000 ] - [ -0.0000075800000000, -0.0001244900000000, 0.0000125900000000 ] - [ -0.0000581700000000, 0.0002226100000000, -0.0001335200000000 ] - [ 0.0005239100000000, 0.0003672900000000, 0.0004134500000000 ] - [ -0.0000722200000000, -0.0001656400000000, -0.0002931300000000 ] - [ 0.0000555200000000, 0.0001603500000000, 0.0003165800000000 ] - [ 0.0000581000000000, -0.0001981700000000, -0.0000387000000000 ] - [ -0.0002701200000000, -0.0000601800000000, 0.0002941900000000 ] - [ -0.0000640400000000, 0.0000136100000000, -0.0001577700000000 ] - [ 0.0001752600000000, -0.0000766500000000, -0.0000671100000000 ] - [ -0.0002516900000000, -0.0000284400000000, -0.0004201500000000 ] - [ 0.0010077400000000, 0.0004180600000000, -0.0004249000000000 ] - [ 0.0000965700000000, -0.0008855200000000, -0.0007692700000000 ] - [ -0.0001363500000000, -0.0000152300000000, 0.0002107300000000 ] - [ -0.0001796300000000, -0.0000719800000000, -0.0002952700000000 ] - [ -0.0002352400000000, -0.0000795700000000, -0.0002325400000000 ] - [ 0.0001476200000000, 0.0003941200000000, 0.0002882900000000 ] - [ 0.0001447200000000, -0.0000297300000000, -0.0000510600000000 ] - [ 0.0001360900000000, -0.0000915400000000, 0.0000383300000000 ] - [ 0.0000525600000000, 0.0001422000000000, -0.0003078900000000 ] - [ 0.0000162300000000, 0.0001502800000000, 0.0000614600000000 ] - [ -0.0000501400000000, -0.0006422000000000, 0.0005811900000000 ] - [ -0.0000604000000000, -0.0001004100000000, -0.0000199100000000 ] - [ -0.0051451600000000, -0.0402894700000000, 0.0020664200000000 ] - [ 0.0002053500000000, -0.0002006600000000, -0.0000243300000000 ] - [ 0.0001446500000000, 0.0001353800000000, 0.0000642700000000 ] - [ 0.0001177900000000, -0.0002143100000000, -0.0004375100000000 ] - [ 0.0000164000000000, 0.0000391700000000, -0.0002680200000000 ] - [ 0.0000845000000000, 0.0000485600000000, 0.0000047200000000 ] - [ -0.0000052900000000, -0.0000658500000000, -0.0000228300000000 ] - [ -0.0028723800000000, 0.0073140200000000, 0.0017901900000000 ] - [ -0.0000813900000000, -0.0000987900000000, 0.0000087700000000 ] - [ 0.0001167600000000, 0.0001753700000000, -0.0003261500000000 ] - [ 0.0001936400000000, 0.0001216800000000, 0.0001961300000000 ] - [ 0.0000014400000000, -0.0001774400000000, 0.0002981600000000 ] - [ 0.0001103700000000, 0.0000386000000000, 0.0000439200000000 ] - [ 0.0000561000000000, -0.0003067600000000, -0.0029328400000000 ] - [ -0.0004384200000000, 0.0001942200000000, -0.0004262100000000 ] - [ 0.0000539200000000, -0.0003199300000000, 0.0002307100000000 ] - [ 0.0003864900000000, -0.0010690700000000, 0.0006724600000000 ] - [ 0.0000469700000000, 0.0000793800000000, 0.0002021400000000 ] - [ 0.0000263800000000, -0.0000356500000000, 0.0003160300000000 ] - [ 0.0000310600000000, 0.0014149800000000, -0.0012294800000000 ] - [ -0.0025629200000000, 0.0167917000000000, 0.0053354000000000 ] - [ 0.0000702100000000, -0.0000167200000000, 0.0001932700000000 ] - [ 0.0000146400000000, -0.0000987500000000, 0.0001638700000000 ] - [ 0.0000173500000000, 0.0000929000000000, -0.0000145700000000 ] - [ 0.0024791500000000, 0.0031525000000000, 0.0004689100000000 ] - [ 0.0006879600000000, 0.0001208700000000, 0.0000136700000000 ] - [ -0.0001743000000000, -0.0001624800000000, 0.0000420600000000 ] - [ -0.0003164400000000, 0.0000469700000000, -0.0001842300000000 ] - [ -0.0013621100000000, 0.0026228300000000, -0.0009076700000000 ] - [ 0.0000807600000000, -0.0000880200000000, 0.0000847700000000 ] - [ -0.0000139300000000, -0.0000435100000000, 0.0004872000000000 ] - [ 0.0000062800000000, 0.0000881800000000, -0.0006866200000000 ] - [ 0.0000642800000000, 0.0000952000000000, 0.0006797200000000 ] - [ -0.0004620800000000, -0.0004390500000000, -0.0002989000000000 ] - [ -0.0002193100000000, 0.0000356500000000, -0.0003023600000000 ] - [ 0.0000571400000000, 0.0002550200000000, 0.0000734900000000 ] - [ 0.0001921300000000, -0.0001187300000000, 0.0003786000000000 ] - [ 0.0001310900000000, -0.0000851800000000, 0.0001034300000000 ] - [ -0.0004141700000000, 0.0000434700000000, -0.0002205700000000 ] - [ 0.0000293800000000, 0.0003809300000000, -0.0000455800000000 ] - [ -0.0008972000000000, -0.0006348300000000, 0.0000096800000000 ] - [ 0.0007895200000000, 0.0004873300000000, 0.0014427200000000 ] - [ -0.0001756300000000, 0.0000381000000000, 0.0000578300000000 ] - [ -0.0000001800000000, 0.0001451600000000, 0.0000692100000000 ] - [ 0.0021594300000000, 0.0065026700000000, -0.0071244200000000 ] - [ -0.0006733300000000, -0.0000426700000000, -0.0000035000000000 ] - [ -0.0000654300000000, 0.0002969600000000, -0.0001059700000000 ] - [ -0.0000038900000000, 0.0001246100000000, 0.0002674700000000 ] - [ -0.0000143000000000, -0.0002795300000000, 0.0003900900000000 ] - [ -0.0000140600000000, -0.0000018900000000, -0.0000013800000000 ] - [ -0.0001098300000000, 0.0001118000000000, -0.0001265400000000 ] - [ 0.0003815800000000, 0.0000343900000000, -0.0003208500000000 ] - [ 0.0012119700000000, -0.0005117100000000, -0.0012108200000000 ] - [ -0.0002314000000000, 0.0000465700000000, 0.0003440100000000 ] - [ 0.0000152100000000, 0.0001045700000000, -0.0000689400000000 ] - [ 0.0000581800000000, 0.0000357800000000, 0.0001406800000000 ] - [ -0.0000616600000000, 0.0001710200000000, 0.0002173300000000 ] - [ 0.0026365700000000, -0.0002910100000000, 0.0014847400000000 ] - [ 0.0001570100000000, 0.0000570700000000, 0.0000426800000000 ] - [ 0.0001457200000000, 0.0002229000000000, -0.0001899000000000 ] - [ -0.0000493500000000, 0.0002187600000000, -0.0000314200000000 ] - [ 0.0023956700000000, -0.0003502800000000, -0.0017167500000000 ] - [ -0.0001950000000000, 0.0000137500000000, 0.0003571500000000 ] - [ 0.0000666700000000, 0.0000970500000000, 0.0000868400000000 ] - [ 0.0000032400000000, -0.0001286700000000, 0.0001100700000000 ] - [ -0.0001077100000000, -0.0000999800000000, -0.0003442200000000 ] - [ 0.0000065000000000, 0.0001028600000000, 0.0001089400000000 ] - [ 0.0012543800000000, 0.0019015700000000, -0.0001710400000000 ] - [ -0.0033223200000000, 0.0007346700000000, -0.0002086300000000 ] - [ 0.0042834600000000, 0.0003344400000000, 0.0024605700000000 ] - [ 0.0003274600000000, 0.0003241200000000, 0.0002463100000000 ] - [ 0.0000575600000000, -0.0000105900000000, 0.0000856900000000 ] - [ -0.0000370800000000, 0.0003755900000000, 0.0002229500000000 ] - [ -0.0031217000000000, 0.0007169800000000, 0.0003119600000000 ] - [ 0.0000878200000000, -0.0000397200000000, 0.0002958500000000 ] - [ -0.0000259300000000, 0.0000030200000000, -0.0002032400000000 ] - [ 0.0000073300000000, 0.0004841400000000, 0.0000073300000000 ] - [ -0.0002221900000000, -0.0001024800000000, -0.0005703900000000 ] - [ 0.0001361200000000, -0.0000990200000000, 0.0000695500000000 ] - [ -0.0000527200000000, -0.0000454800000000, 0.0001541100000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007652500000000, -0.0004291400000000, -0.0007862400000000 ] - [ -0.0008232700000000, 0.0000395400000000, 0.0003593300000000 ] - [ -0.0000535200000000, 0.0001984400000000, 0.0001037000000000 ] - [ 0.0001886200000000, 0.0000739500000000, 0.0001320100000000 ] - [ 0.0001222200000000, -0.0002444100000000, 0.0001114900000000 ] - [ -0.0000590400000000, -0.0000462900000000, 0.0001689100000000 ] - [ -0.0001529800000000, 0.0000785600000000, -0.0003107600000000 ] - [ 0.0000684000000000, 0.0001712900000000, -0.0000589000000000 ] - [ 0.0001485000000000, 0.0005504600000000, -0.0009327800000000 ] - [ -0.0001013800000000, -0.0001062700000000, -0.0000416500000000 ] - [ 0.0001987700000000, 0.0001311500000000, 0.0000784600000000 ] - [ -0.0000923400000000, 0.0001528900000000, 0.0001081700000000 ] - [ -0.0001595400000000, 0.0000007000000000, 0.0001826700000000 ] - [ -0.0000353300000000, -0.0002848200000000, 0.0000730700000000 ] - [ 0.0001951700000000, 0.0002445600000000, 0.0000005900000000 ] - [ -0.0008945700000000, -0.0006886700000000, 0.0009421900000000 ] - [ 0.0000050400000000, -0.0000567100000000, 0.0001424900000000 ] - [ -0.0000738400000000, -0.0000761400000000, 0.0000333400000000 ] - [ -0.0000075700000000, 0.0000291600000000, -0.0000340600000000 ] - [ 0.0000288000000000, 0.0002923400000000, -0.0001599400000000 ] - [ 0.0001511700000000, -0.0003079300000000, -0.0000556500000000 ] - [ 0.0005534900000000, 0.0000152700000000, 0.0003606700000000 ] - [ -0.0000670100000000, 0.0002494800000000, 0.0001295500000000 ] - [ -0.0001144000000000, -0.0000157900000000, 0.0000198400000000 ] - [ -0.0005417000000000, -0.0000738300000000, 0.0004544200000000 ] - [ 0.0000418700000000, -0.0000702600000000, 0.0001775600000000 ] - [ -0.0000479200000000, 0.0002362500000000, -0.0000660000000000 ] - [ -0.0000000900000000, -0.0003286200000000, 0.0001841500000000 ] - [ -0.0005708800000000, 0.0000426600000000, -0.0004012200000000 ] - [ 0.0000254300000000, -0.0002463200000000, 0.0002837500000000 ] - [ -0.0000132000000000, 0.0002500500000000, -0.0003257200000000 ] - [ -0.0000110900000000, -0.0002115000000000, 0.0000467200000000 ] - [ 0.0001120100000000, 0.0000396000000000, -0.0001159100000000 ] - [ -0.0000931000000000, 0.0000063600000000, -0.0000166700000000 ] - [ -0.0000191700000000, 0.0000560100000000, -0.0001074900000000 ] - [ 0.0004174800000000, 0.0000367200000000, 0.0005998600000000 ] - [ -0.0007382700000000, -0.0003022100000000, 0.0000954300000000 ] - [ 0.0001868900000000, 0.0007629500000000, 0.0010962700000000 ] - [ -0.0001440600000000, 0.0001253800000000, 0.0001161400000000 ] - [ -0.0001045300000000, -0.0000427700000000, -0.0000379300000000 ] - [ -0.0000399900000000, -0.0000100100000000, 0.0002270300000000 ] - [ -0.0004172800000000, -0.0003042100000000, -0.0002803000000000 ] - [ 0.0001303800000000, -0.0000576100000000, 0.0000543400000000 ] - [ 0.0001378600000000, 0.0001762500000000, -0.0000417600000000 ] - [ -0.0000656400000000, -0.0002203900000000, -0.0000957400000000 ] - [ -0.0000293500000000, -0.0000721200000000, 0.0003404700000000 ] - [ 0.0000583900000000, 0.0005608600000000, -0.0001708400000000 ] - [ 0.0000737900000000, 0.0001786700000000, -0.0003775100000000 ] - [ 0.0046936400000000, 0.0407235000000000, -0.0017489500000000 ] - [ -0.0003266300000000, 0.0001520900000000, 0.0003395100000000 ] - [ -0.0000201700000000, -0.0000862000000000, 0.0002468200000000 ] - [ 0.0000089400000000, 0.0001605700000000, 0.0001254400000000 ] - [ 0.0001392000000000, -0.0001563600000000, 0.0002366100000000 ] - [ 0.0000721500000000, 0.0000688700000000, 0.0000243600000000 ] - [ -0.0001516100000000, -0.0000523000000000, 0.0000525300000000 ] - [ 0.0027842600000000, -0.0073140800000000, -0.0017950800000000 ] - [ -0.0000300600000000, -0.0001169200000000, 0.0003335700000000 ] - [ -0.0002281000000000, 0.0000398100000000, -0.0000169500000000 ] - [ -0.0000695200000000, -0.0003249300000000, -0.0005374100000000 ] - [ 0.0001099100000000, 0.0003889500000000, 0.0000453400000000 ] - [ 0.0000917900000000, 0.0000786000000000, 0.0001812700000000 ] - [ 0.0001498500000000, 0.0001876500000000, 0.0026825900000000 ] - [ 0.0002270800000000, -0.0000586700000000, 0.0001878900000000 ] - [ -0.0002550600000000, 0.0002002000000000, -0.0000040500000000 ] - [ -0.0003208800000000, 0.0009066000000000, -0.0010765700000000 ] - [ 0.0000147400000000, 0.0000746900000000, 0.0002065700000000 ] - [ -0.0000873500000000, -0.0001176600000000, 0.0000922600000000 ] - [ -0.0000870200000000, -0.0012840800000000, 0.0008537800000000 ] - [ 0.0027764700000000, -0.0174847100000000, -0.0062631800000000 ] - [ -0.0001374300000000, 0.0000505400000000, 0.0000301300000000 ] - [ 0.0000529800000000, 0.0000612400000000, 0.0000600100000000 ] - [ 0.0000491500000000, -0.0000542900000000, -0.0002120600000000 ] - [ -0.0022048100000000, -0.0028158900000000, -0.0004151300000000 ] - [ -0.0003642300000000, -0.0002099300000000, 0.0000374100000000 ] - [ -0.0001489000000000, 0.0002482000000000, 0.0000100800000000 ] - [ -0.0000081400000000, -0.0001337400000000, 0.0001277100000000 ] - [ 0.0012912200000000, -0.0024677200000000, 0.0003328700000000 ] - [ -0.0001349300000000, -0.0000497500000000, 0.0004521900000000 ] - [ 0.0000668200000000, 0.0001775200000000, 0.0000486000000000 ] - [ 0.0000489900000000, -0.0002228300000000, 0.0001420300000000 ] - [ 0.0000749200000000, 0.0000857400000000, -0.0002567100000000 ] - [ 0.0006001100000000, 0.0002586600000000, -0.0001264400000000 ] - [ 0.0000782600000000, 0.0001379100000000, -0.0001175900000000 ] - [ -0.0001971600000000, -0.0004281800000000, 0.0003450100000000 ] - [ 0.0001340300000000, -0.0000385700000000, -0.0000648100000000 ] - [ 0.0001973700000000, 0.0002422300000000, -0.0004145500000000 ] - [ 0.0000801300000000, -0.0002131900000000, -0.0001034500000000 ] - [ -0.0003544200000000, -0.0002186900000000, 0.0003496800000000 ] - [ 0.0009466300000000, 0.0003704700000000, -0.0001801200000000 ] - [ -0.0007301900000000, -0.0002222300000000, -0.0012779400000000 ] - [ 0.0001210300000000, -0.0002958900000000, 0.0001046300000000 ] - [ -0.0000559900000000, 0.0001164900000000, -0.0002274800000000 ] - [ -0.0021659600000000, -0.0063588300000000, 0.0070750600000000 ] - [ 0.0006515600000000, 0.0000146300000000, 0.0000215200000000 ] - [ 0.0000780900000000, -0.0002686700000000, 0.0001253300000000 ] - [ 0.0000181600000000, -0.0001525400000000, -0.0002811300000000 ] - [ 0.0000331600000000, 0.0001901900000000, -0.0002499200000000 ] - [ 0.0000339600000000, 0.0000910600000000, -0.0001378600000000 ] - [ 0.0000877600000000, -0.0001988600000000, -0.0000151800000000 ] - [ -0.0003927000000000, 0.0000501900000000, 0.0004516500000000 ] - [ -0.0013020800000000, 0.0004164700000000, 0.0012145400000000 ] - [ 0.0001095400000000, 0.0000599500000000, -0.0003808600000000 ] - [ 0.0001046700000000, -0.0002083400000000, 0.0000302700000000 ] - [ 0.0000619900000000, 0.0000674400000000, -0.0000998200000000 ] - [ -0.0001544800000000, -0.0000475200000000, -0.0000740300000000 ] - [ -0.0028494000000000, 0.0001626700000000, -0.0016396700000000 ] - [ 0.0000610400000000, 0.0000638100000000, -0.0001852600000000 ] - [ 0.0000726700000000, -0.0003428800000000, 0.0003346500000000 ] - [ -0.0000408400000000, -0.0002600600000000, 0.0000355400000000 ] - [ -0.0025113600000000, 0.0003806900000000, 0.0017207100000000 ] - [ 0.0002809500000000, -0.0000618300000000, -0.0003599000000000 ] - [ 0.0000227100000000, -0.0000493100000000, -0.0000793200000000 ] - [ -0.0000394400000000, 0.0001493300000000, -0.0002368200000000 ] - [ 0.0000717500000000, 0.0000875200000000, 0.0004712900000000 ] - [ 0.0000304600000000, -0.0000839100000000, 0.0000197300000000 ] - [ -0.0011966400000000, -0.0019065900000000, 0.0000453600000000 ] - [ 0.0031982500000000, -0.0004770700000000, 0.0002423100000000 ] - [ -0.0043437700000000, -0.0005686300000000, -0.0024490600000000 ] - [ -0.0002165100000000, -0.0000784700000000, -0.0002796700000000 ] - [ 0.0000506100000000, -0.0002350800000000, -0.0000457500000000 ] - [ -0.0000540700000000, -0.0002023100000000, -0.0002809500000000 ] - [ 0.0030160700000000, -0.0008964500000000, -0.0002483900000000 ] - [ 0.0000030100000000, 0.0002094700000000, -0.0002332400000000 ] - [ 0.0001159600000000, -0.0001692400000000, 0.0001445100000000 ] - [ 0.0000355300000000, -0.0004642800000000, 0.0001704400000000 ] - [ 0.0002568500000000, 0.0000756600000000, 0.0003793000000000 ] - [ -0.0001753800000000, 0.0001152200000000, -0.0002505400000000 ] - [ 0.0000123300000000, 0.0000292600000000, 0.0000292400000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0013924200000000, -0.0006577500000000, 0.0001683800000000 ] - [ -0.0000962300000000, 0.0005782900000000, 0.0000089700000000 ] - [ 0.0002091800000000, 0.0000111800000000, -0.0000702300000000 ] - [ -0.0001148900000000, -0.0001743000000000, 0.0001765500000000 ] - [ -0.0000904200000000, -0.0003105100000000, 0.0003695100000000 ] - [ -0.0000784400000000, 0.0001019000000000, 0.0001590500000000 ] - [ -0.0000156900000000, -0.0002069800000000, -0.0000405600000000 ] - [ -0.0000116700000000, -0.0003438400000000, -0.0001029300000000 ] - [ 0.0005742500000000, -0.0016788500000000, 0.0013061800000000 ] - [ 0.0002985900000000, 0.0002171200000000, 0.0001047600000000 ] - [ -0.0001874800000000, 0.0004209800000000, 0.0001002300000000 ] - [ 0.0001240700000000, -0.0005449400000000, 0.0002997100000000 ] - [ -0.0001003700000000, 0.0001962500000000, 0.0001967200000000 ] - [ -0.0000475900000000, -0.0005820700000000, 0.0005226100000000 ] - [ 0.0000963000000000, -0.0000803800000000, -0.0002358600000000 ] - [ 0.0003958900000000, 0.0003597700000000, -0.0005081400000000 ] - [ -0.0000196100000000, 0.0000239400000000, 0.0000755000000000 ] - [ 0.0001454700000000, -0.0001191000000000, 0.0002635800000000 ] - [ 0.0001475300000000, -0.0000658000000000, 0.0000692800000000 ] - [ -0.0001693400000000, -0.0003525000000000, -0.0000619200000000 ] - [ -0.0001066600000000, 0.0004479100000000, -0.0006866100000000 ] - [ -0.0003006300000000, 0.0002222800000000, -0.0001276100000000 ] - [ -0.0002230200000000, -0.0001884500000000, 0.0000621800000000 ] - [ -0.0000513300000000, -0.0000807300000000, 0.0000349000000000 ] - [ -0.0000726500000000, 0.0005818000000000, 0.0002524200000000 ] - [ 0.0000475700000000, -0.0000834800000000, 0.0000702200000000 ] - [ 0.0000417800000000, -0.0002591700000000, -0.0001218700000000 ] - [ -0.0002060300000000, -0.0003215800000000, 0.0001313900000000 ] - [ -0.0002813700000000, 0.0002291700000000, 0.0000659200000000 ] - [ -0.0000105600000000, 0.0000305900000000, 0.0000772300000000 ] - [ -0.0002052700000000, 0.0000561900000000, -0.0000076000000000 ] - [ 0.0000422300000000, -0.0003526600000000, 0.0001582800000000 ] - [ -0.0000479400000000, -0.0000526600000000, -0.0000202800000000 ] - [ -0.0000120700000000, -0.0000777100000000, -0.0000534200000000 ] - [ 0.0002845700000000, -0.0001564300000000, -0.0001979700000000 ] - [ 0.0001862200000000, 0.0001960100000000, 0.0015658100000000 ] - [ 0.0003789200000000, 0.0006294500000000, -0.0008647200000000 ] - [ 0.0000612900000000, -0.0005801000000000, -0.0006651700000000 ] - [ -0.0000331100000000, -0.0002960900000000, 0.0000952400000000 ] - [ -0.0001301300000000, 0.0000050500000000, -0.0000107300000000 ] - [ -0.0002347900000000, -0.0000392300000000, -0.0000365000000000 ] - [ 0.0006133700000000, 0.0004123300000000, -0.0000501900000000 ] - [ 0.0001235000000000, 0.0000089900000000, 0.0001656700000000 ] - [ 0.0000710300000000, -0.0003031200000000, 0.0000684100000000 ] - [ 0.0000933600000000, -0.0000304100000000, 0.0000642500000000 ] - [ -0.0000115200000000, 0.0000618100000000, 0.0006253300000000 ] - [ -0.0000441400000000, -0.0003179100000000, -0.0000772200000000 ] - [ 0.0000155000000000, -0.0002929700000000, -0.0001355700000000 ] - [ -0.0015653900000000, 0.0021400300000000, -0.0451034200000000 ] - [ 0.0002037200000000, -0.0002067200000000, -0.0002093000000000 ] - [ 0.0002394000000000, 0.0001165600000000, 0.0000767100000000 ] - [ -0.0000348100000000, 0.0002588100000000, -0.0000662800000000 ] - [ 0.0000500200000000, -0.0000055100000000, 0.0000877000000000 ] - [ 0.0001211700000000, -0.0000774300000000, 0.0001052900000000 ] - [ 0.0000074400000000, -0.0000858400000000, -0.0001473900000000 ] - [ 0.0002608300000000, -0.0006454500000000, -0.0027890300000000 ] - [ -0.0000829100000000, -0.0002160700000000, 0.0004119800000000 ] - [ -0.0000043100000000, 0.0002549400000000, 0.0000840100000000 ] - [ -0.0002005100000000, -0.0003837800000000, -0.0003170400000000 ] - [ 0.0000253000000000, -0.0001326100000000, 0.0001169000000000 ] - [ 0.0001604000000000, 0.0000186400000000, 0.0001476400000000 ] - [ 0.0000455100000000, 0.0001588100000000, -0.0010491100000000 ] - [ -0.0005372300000000, 0.0011020800000000, 0.0006140400000000 ] - [ 0.0000481900000000, -0.0002592100000000, 0.0001025100000000 ] - [ 0.0002425500000000, -0.0004924500000000, -0.0001973100000000 ] - [ 0.0000632000000000, 0.0000558900000000, 0.0001926700000000 ] - [ 0.0000286100000000, -0.0001442700000000, 0.0003208700000000 ] - [ 0.0004780700000000, -0.0011143300000000, -0.0023051900000000 ] - [ -0.0034453500000000, 0.0077151100000000, 0.0195734700000000 ] - [ 0.0000097600000000, 0.0000257700000000, 0.0002126400000000 ] - [ 0.0000502100000000, -0.0001326600000000, 0.0002404500000000 ] - [ 0.0001506000000000, -0.0001846300000000, -0.0001197600000000 ] - [ 0.0029465800000000, -0.0049586200000000, 0.0061394600000000 ] - [ 0.0008881900000000, 0.0004335600000000, -0.0000877400000000 ] - [ -0.0002107000000000, -0.0000873600000000, 0.0001109000000000 ] - [ -0.0001170500000000, -0.0001033700000000, 0.0002565000000000 ] - [ 0.0013656100000000, -0.0029011000000000, 0.0040773500000000 ] - [ 0.0000262100000000, 0.0000822300000000, 0.0003409500000000 ] - [ -0.0000049300000000, -0.0000537600000000, 0.0001797800000000 ] - [ -0.0001041800000000, -0.0008890700000000, 0.0010633400000000 ] - [ 0.0000791400000000, 0.0000960200000000, -0.0001210500000000 ] - [ -0.0000991600000000, -0.0002939200000000, -0.0007251700000000 ] - [ 0.0000083200000000, 0.0002905100000000, -0.0004003300000000 ] - [ 0.0000016800000000, 0.0005633800000000, 0.0002447200000000 ] - [ 0.0004731100000000, 0.0005927000000000, -0.0012051500000000 ] - [ 0.0000892700000000, -0.0000203500000000, -0.0004430800000000 ] - [ -0.0003475600000000, 0.0001049900000000, -0.0000660200000000 ] - [ -0.0001643900000000, 0.0006129200000000, 0.0005183400000000 ] - [ -0.0004797900000000, -0.0004746700000000, 0.0003203800000000 ] - [ 0.0007300200000000, 0.0001395500000000, 0.0010270400000000 ] - [ 0.0001713300000000, 0.0002728400000000, 0.0001092300000000 ] - [ -0.0000773300000000, 0.0001574200000000, -0.0002215200000000 ] - [ 0.0014946500000000, 0.0028593300000000, -0.0057743300000000 ] - [ -0.0002005800000000, -0.0003834500000000, -0.0000708500000000 ] - [ -0.0001594000000000, -0.0001502200000000, 0.0000908800000000 ] - [ 0.0004935400000000, 0.0002401200000000, -0.0009486400000000 ] - [ -0.0000749800000000, -0.0002114100000000, -0.0002429500000000 ] - [ -0.0000789000000000, 0.0001010200000000, -0.0003496900000000 ] - [ -0.0000395000000000, 0.0002898500000000, 0.0000245000000000 ] - [ 0.0003971000000000, 0.0007016800000000, 0.0001451000000000 ] - [ -0.0029089800000000, -0.0029126500000000, 0.0044359200000000 ] - [ -0.0002217600000000, -0.0000680500000000, 0.0000839300000000 ] - [ -0.0000568600000000, 0.0001384800000000, 0.0000311800000000 ] - [ 0.0005808600000000, 0.0001891400000000, -0.0003446800000000 ] - [ -0.0001111900000000, 0.0002118100000000, 0.0001882200000000 ] - [ 0.0043741400000000, 0.0001197500000000, 0.0055785100000000 ] - [ -0.0002927500000000, -0.0002324100000000, -0.0004998900000000 ] - [ 0.0002332800000000, 0.0005654400000000, -0.0001846300000000 ] - [ 0.0000986100000000, 0.0002203400000000, 0.0004025600000000 ] - [ -0.0067357300000000, -0.0035484200000000, 0.0065480700000000 ] - [ -0.0001151700000000, -0.0002850600000000, -0.0001534100000000 ] - [ 0.0000995700000000, 0.0002662800000000, -0.0002040500000000 ] - [ -0.0001520600000000, -0.0003037200000000, -0.0003341200000000 ] - [ -0.0007609600000000, 0.0000930100000000, -0.0001683500000000 ] - [ -0.0002827900000000, 0.0001647200000000, 0.0001242000000000 ] - [ 0.0011438400000000, 0.0010729700000000, 0.0005327000000000 ] - [ -0.0030202900000000, 0.0003330900000000, 0.0005771700000000 ] - [ 0.0065928400000000, 0.0018000300000000, 0.0063040600000000 ] - [ 0.0002443200000000, 0.0000830800000000, -0.0001462000000000 ] - [ -0.0001331600000000, -0.0000803700000000, -0.0001194100000000 ] - [ 0.0000175000000000, 0.0004120700000000, 0.0001401800000000 ] - [ -0.0016317000000000, -0.0003968500000000, 0.0006805900000000 ] - [ 0.0002288300000000, -0.0001229600000000, -0.0002806000000000 ] - [ 0.0001985600000000, 0.0004323600000000, -0.0002640900000000 ] - [ 0.0000348300000000, 0.0007598100000000, 0.0003843100000000 ] - [ -0.0006124700000000, -0.0000557200000000, 0.0000717800000000 ] - [ 0.0001200100000000, -0.0001545200000000, -0.0003831600000000 ] - [ 0.0000926700000000, 0.0002805700000000, -0.0001589800000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0011346900000000, 0.0006465700000000, -0.0001118700000000 ] - [ -0.0001470100000000, -0.0005838100000000, -0.0000655700000000 ] - [ 0.0000355600000000, -0.0000066200000000, 0.0000169500000000 ] - [ 0.0003566600000000, 0.0001674100000000, -0.0001226700000000 ] - [ 0.0000318900000000, 0.0002429500000000, -0.0003935700000000 ] - [ 0.0000234200000000, -0.0000348300000000, -0.0001298300000000 ] - [ 0.0000714200000000, 0.0001404600000000, 0.0000699500000000 ] - [ 0.0000643800000000, 0.0004080300000000, 0.0000740900000000 ] - [ -0.0004524500000000, 0.0016292300000000, -0.0013265500000000 ] - [ -0.0001842800000000, -0.0001910000000000, -0.0000718800000000 ] - [ 0.0000701400000000, -0.0004454200000000, -0.0000631000000000 ] - [ -0.0002373300000000, 0.0005644500000000, -0.0003341400000000 ] - [ -0.0001926500000000, -0.0000475500000000, -0.0001308500000000 ] - [ -0.0002454100000000, 0.0004290900000000, -0.0005812000000000 ] - [ 0.0001986300000000, 0.0002228300000000, 0.0001708400000000 ] - [ -0.0000877200000000, -0.0005020700000000, 0.0005633900000000 ] - [ 0.0000248700000000, -0.0000358200000000, -0.0001183400000000 ] - [ -0.0001386900000000, 0.0001342300000000, -0.0002185500000000 ] - [ -0.0001513900000000, 0.0000535600000000, -0.0000257200000000 ] - [ 0.0001620800000000, 0.0003605800000000, 0.0000179000000000 ] - [ 0.0002896200000000, -0.0003558300000000, 0.0005277700000000 ] - [ 0.0004711300000000, -0.0003106300000000, 0.0002891100000000 ] - [ 0.0000526800000000, 0.0002738700000000, 0.0001029300000000 ] - [ -0.0001167300000000, -0.0000075500000000, -0.0001991100000000 ] - [ 0.0001311400000000, -0.0004636100000000, -0.0001963300000000 ] - [ 0.0000096100000000, -0.0000304500000000, -0.0001240100000000 ] - [ -0.0000977900000000, 0.0003689500000000, 0.0000659000000000 ] - [ 0.0001483100000000, 0.0002082100000000, -0.0000789200000000 ] - [ 0.0002424500000000, 0.0001849900000000, -0.0000512200000000 ] - [ -0.0000354400000000, -0.0004430400000000, -0.0000877400000000 ] - [ 0.0002515300000000, 0.0003564800000000, 0.0000021900000000 ] - [ 0.0000044700000000, -0.0000584400000000, -0.0001498900000000 ] - [ -0.0001109100000000, 0.0000336200000000, 0.0001906500000000 ] - [ -0.0001446400000000, 0.0000970800000000, -0.0001204100000000 ] - [ -0.0001248500000000, 0.0001349200000000, 0.0000212500000000 ] - [ -0.0000267900000000, -0.0001814900000000, -0.0013709100000000 ] - [ -0.0001047900000000, -0.0005181800000000, 0.0005374300000000 ] - [ 0.0002205500000000, 0.0004659300000000, 0.0009950100000000 ] - [ -0.0002497900000000, 0.0004089300000000, 0.0002364300000000 ] - [ -0.0001539200000000, -0.0001204200000000, -0.0003209300000000 ] - [ -0.0000400800000000, -0.0000496500000000, 0.0000325400000000 ] - [ -0.0008949000000000, -0.0003224600000000, 0.0000618600000000 ] - [ 0.0001517000000000, -0.0000972800000000, -0.0001613900000000 ] - [ 0.0002026800000000, 0.0003880000000000, -0.0000721700000000 ] - [ -0.0001057500000000, -0.0000468000000000, -0.0004660500000000 ] - [ -0.0000012900000000, 0.0000193200000000, -0.0002216700000000 ] - [ 0.0000520700000000, 0.0002297600000000, 0.0004843400000000 ] - [ -0.0000017100000000, 0.0003705300000000, -0.0002688500000000 ] - [ 0.0013025400000000, -0.0016801300000000, 0.0449469500000000 ] - [ -0.0003257000000000, 0.0001570600000000, 0.0005201700000000 ] - [ -0.0001123500000000, -0.0000660000000000, 0.0002358900000000 ] - [ 0.0001578800000000, -0.0003040500000000, -0.0002495200000000 ] - [ 0.0001057500000000, -0.0001125200000000, -0.0001175900000000 ] - [ 0.0000353200000000, 0.0001947700000000, -0.0000749200000000 ] - [ -0.0001646600000000, -0.0000334600000000, 0.0001757600000000 ] - [ -0.0004024400000000, 0.0007362000000000, 0.0028681700000000 ] - [ -0.0000296300000000, 0.0000008200000000, -0.0000657400000000 ] - [ -0.0001063700000000, -0.0000389400000000, -0.0004268000000000 ] - [ 0.0003107700000000, 0.0001675300000000, -0.0000287700000000 ] - [ 0.0000855600000000, 0.0003415200000000, 0.0002243700000000 ] - [ 0.0000425200000000, 0.0000988700000000, 0.0000786400000000 ] - [ 0.0001559600000000, -0.0002746800000000, 0.0008007300000000 ] - [ 0.0003293000000000, -0.0009698200000000, -0.0008030900000000 ] - [ -0.0002504700000000, 0.0001397400000000, 0.0001208900000000 ] - [ -0.0001751800000000, 0.0003261000000000, -0.0002007800000000 ] - [ -0.0000014500000000, 0.0000974200000000, 0.0002156700000000 ] - [ -0.0000898400000000, -0.0000107400000000, 0.0000895000000000 ] - [ -0.0005275200000000, 0.0012442000000000, 0.0019027400000000 ] - [ 0.0035685800000000, -0.0082180200000000, -0.0202740800000000 ] - [ -0.0000765400000000, 0.0000105300000000, 0.0000114300000000 ] - [ 0.0000171800000000, 0.0000947300000000, -0.0000152600000000 ] - [ -0.0000811400000000, 0.0002171600000000, -0.0001022500000000 ] - [ -0.0026614800000000, 0.0051038400000000, -0.0060010900000000 ] - [ -0.0005617400000000, -0.0005180100000000, 0.0001382300000000 ] - [ -0.0001126100000000, 0.0001721500000000, -0.0000569000000000 ] - [ -0.0002057500000000, 0.0000177500000000, -0.0003069900000000 ] - [ -0.0014236600000000, 0.0030429000000000, -0.0046003500000000 ] - [ -0.0000812100000000, -0.0002178300000000, 0.0001976300000000 ] - [ 0.0000600200000000, 0.0001890100000000, 0.0003617400000000 ] - [ 0.0001590700000000, 0.0007520900000000, -0.0015994700000000 ] - [ 0.0000606900000000, 0.0000832600000000, 0.0005406200000000 ] - [ 0.0002343500000000, 0.0001106800000000, 0.0003014200000000 ] - [ -0.0001491200000000, -0.0001098600000000, -0.0000191800000000 ] - [ -0.0001398600000000, -0.0007363900000000, 0.0001818900000000 ] - [ -0.0001376400000000, -0.0007448100000000, 0.0015013400000000 ] - [ 0.0002400400000000, 0.0001761400000000, 0.0001304000000000 ] - [ 0.0000083000000000, -0.0002629300000000, -0.0002395900000000 ] - [ -0.0001594000000000, -0.0004498500000000, -0.0002099000000000 ] - [ 0.0005327100000000, 0.0002115600000000, -0.0004939900000000 ] - [ -0.0006746600000000, 0.0001203500000000, -0.0008701700000000 ] - [ -0.0002279800000000, -0.0005329600000000, 0.0000490600000000 ] - [ 0.0000207200000000, 0.0001057300000000, 0.0000616300000000 ] - [ -0.0014941900000000, -0.0027837600000000, 0.0057309400000000 ] - [ 0.0001852700000000, 0.0003528500000000, 0.0000894100000000 ] - [ 0.0001725700000000, 0.0001829000000000, -0.0000751300000000 ] - [ -0.0004769800000000, -0.0002674200000000, 0.0009283800000000 ] - [ 0.0000929800000000, 0.0001212900000000, 0.0003827800000000 ] - [ 0.0000978300000000, -0.0000135400000000, 0.0002075400000000 ] - [ 0.0000171100000000, -0.0003764000000000, -0.0001626000000000 ] - [ -0.0004044700000000, -0.0006148200000000, -0.0000067500000000 ] - [ 0.0029265400000000, 0.0028482100000000, -0.0045483600000000 ] - [ 0.0001006400000000, 0.0001729000000000, -0.0001236000000000 ] - [ 0.0001770300000000, -0.0002419600000000, -0.0000709900000000 ] - [ -0.0004562000000000, -0.0000840100000000, 0.0003839000000000 ] - [ -0.0001059000000000, -0.0000884300000000, -0.0000439000000000 ] - [ -0.0047437000000000, -0.0003164700000000, -0.0058857300000000 ] - [ 0.0005069200000000, 0.0003517800000000, 0.0003553300000000 ] - [ -0.0000144800000000, -0.0006801600000000, 0.0003237100000000 ] - [ -0.0001862400000000, -0.0002618300000000, -0.0003905500000000 ] - [ 0.0064522800000000, 0.0035504500000000, -0.0064086300000000 ] - [ 0.0002028400000000, 0.0002375500000000, 0.0001478400000000 ] - [ -0.0000100300000000, -0.0002185800000000, 0.0002070000000000 ] - [ 0.0001131200000000, 0.0003210000000000, 0.0002036400000000 ] - [ 0.0007120700000000, -0.0001106400000000, 0.0002929500000000 ] - [ 0.0003176100000000, -0.0001451700000000, 0.0000050300000000 ] - [ -0.0010934500000000, -0.0010764100000000, -0.0006618300000000 ] - [ 0.0029001400000000, -0.0000849900000000, -0.0005261700000000 ] - [ -0.0065351800000000, -0.0019419700000000, -0.0062004700000000 ] - [ -0.0001339500000000, 0.0001627900000000, 0.0001076300000000 ] - [ 0.0002399300000000, -0.0001642900000000, 0.0001563200000000 ] - [ -0.0001081500000000, -0.0002397200000000, -0.0001985000000000 ] - [ 0.0015198500000000, 0.0002275000000000, -0.0006214800000000 ] - [ -0.0001346500000000, 0.0002926200000000, 0.0003375500000000 ] - [ -0.0001035500000000, -0.0005988200000000, 0.0002014600000000 ] - [ 0.0000086400000000, -0.0007357500000000, -0.0001971800000000 ] - [ 0.0006460300000000, 0.0000310000000000, -0.0002547200000000 ] - [ -0.0001593800000000, 0.0001712200000000, 0.0002012300000000 ] - [ -0.0001331700000000, -0.0002970500000000, 0.0003384100000000 ]- atom: 53 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001204500000000, 0.0000013600000000, 0.0000762100000000 ] - [ 0.0003911700000000, -0.0004161100000000, 0.0002278100000000 ] - [ 0.0001844000000000, -0.0000086100000000, -0.0000212200000000 ] - [ -0.0000002800000000, 0.0001578700000000, -0.0000659100000000 ] - [ -0.0001416600000000, 0.0005290500000000, 0.0003834800000000 ] - [ 0.0010219900000000, -0.0000453000000000, -0.0004648700000000 ] - [ 0.0000835600000000, -0.0000285200000000, 0.0000538000000000 ] - [ -0.0000798000000000, 0.0001096900000000, 0.0001074700000000 ] - [ 0.0000073400000000, 0.0000081300000000, 0.0000493800000000 ] - [ 0.0005079600000000, -0.0001047500000000, -0.0003226600000000 ] - [ -0.0000194300000000, 0.0003648000000000, -0.0002002900000000 ] - [ -0.0000942400000000, 0.0000133600000000, -0.0000528200000000 ] - [ 0.0018957100000000, 0.0002733600000000, 0.0008133100000000 ] - [ -0.0001614200000000, -0.0001103100000000, -0.0001043500000000 ] - [ 0.0001703900000000, 0.0000434700000000, -0.0000727800000000 ] - [ 0.0001447500000000, -0.0000769000000000, 0.0000737800000000 ] - [ 0.0000088000000000, 0.0008448300000000, -0.0001379200000000 ] - [ 0.0003075800000000, -0.0005422300000000, -0.0003976800000000 ] - [ 0.0001486900000000, -0.0000533200000000, -0.0000179600000000 ] - [ -0.0000307100000000, 0.0000272100000000, 0.0000319500000000 ] - [ 0.0001045900000000, 0.0000469800000000, -0.0000534500000000 ] - [ -0.0002136200000000, 0.0001753300000000, 0.0000331000000000 ] - [ -0.0001072000000000, 0.0001048300000000, 0.0000847000000000 ] - [ 0.0003224400000000, -0.0000188900000000, -0.0000055500000000 ] - [ 0.0003142300000000, -0.0001913600000000, 0.0002434800000000 ] - [ -0.0000102200000000, -0.0000350400000000, -0.0001365600000000 ] - [ -0.0000043400000000, 0.0000413800000000, 0.0000189000000000 ] - [ 0.0001222400000000, 0.0004545100000000, 0.0006101900000000 ] - [ 0.0000651500000000, 0.0001962200000000, -0.0000089500000000 ] - [ -0.0004815400000000, -0.0009045100000000, 0.0006659600000000 ] - [ 0.0000188200000000, 0.0001032200000000, 0.0001052100000000 ] - [ 0.0001942100000000, -0.0000267100000000, 0.0002707000000000 ] - [ -0.0005363300000000, -0.0001034200000000, 0.0001279800000000 ] - [ -0.0000065500000000, -0.0000477000000000, -0.0001542600000000 ] - [ 0.0000891200000000, -0.0000117800000000, -0.0000524900000000 ] - [ -0.0003834600000000, -0.0001614700000000, -0.0001786900000000 ] - [ 0.0001827800000000, 0.0000667100000000, -0.0001708900000000 ] - [ 0.0002067800000000, -0.0003083200000000, 0.0003982800000000 ] - [ -0.0001123700000000, 0.0000745100000000, 0.0002081300000000 ] - [ 0.0009795300000000, 0.0007860500000000, 0.0001676800000000 ] - [ -0.0003169900000000, -0.0001660400000000, -0.0001901700000000 ] - [ -0.0000492200000000, 0.0000662600000000, 0.0000176300000000 ] - [ 0.0007702600000000, 0.0003385400000000, -0.0000032600000000 ] - [ 0.0001218200000000, 0.0000734000000000, 0.0000602700000000 ] - [ 0.0004825500000000, -0.0001157100000000, -0.0004589700000000 ] - [ 0.0013588100000000, -0.0006617700000000, -0.0000911500000000 ] - [ -0.0000221200000000, -0.0001054700000000, 0.0001752800000000 ] - [ 0.0000832200000000, 0.0001023600000000, -0.0000819900000000 ] - [ -0.0000827200000000, -0.0000362300000000, -0.0001834100000000 ] - [ -0.0000115900000000, -0.0000307000000000, 0.0001138200000000 ] - [ 0.0000038400000000, -0.0000488300000000, 0.0002433300000000 ] - [ 0.0014084700000000, -0.0028513900000000, -0.0004965500000000 ] - [ -0.0423276900000000, 0.0082743500000000, 0.0099678900000000 ] - [ 0.0001511500000000, 0.0000184000000000, -0.0000384600000000 ] - [ 0.0000008900000000, -0.0000191900000000, 0.0000668100000000 ] - [ -0.0000629100000000, 0.0000185500000000, 0.0000277900000000 ] - [ -0.0000506300000000, 0.0001737200000000, 0.0001528600000000 ] - [ 0.0006698500000000, 0.0001044800000000, 0.0000421000000000 ] - [ 0.0001358900000000, -0.0001235200000000, -0.0000674600000000 ] - [ 0.0000235100000000, 0.0001179600000000, 0.0002120500000000 ] - [ 0.0001101700000000, 0.0000373000000000, 0.0001187600000000 ] - [ -0.0004079900000000, -0.0003279400000000, 0.0002645200000000 ] - [ -0.0005243300000000, 0.0000376500000000, 0.0000044700000000 ] - [ -0.0000499300000000, -0.0000517300000000, 0.0001135400000000 ] - [ 0.0010275500000000, -0.0001115900000000, -0.0005067500000000 ] - [ 0.0000501600000000, 0.0000909100000000, 0.0002033000000000 ] - [ -0.0000270900000000, -0.0000841300000000, 0.0001991900000000 ] - [ -0.0000960200000000, -0.0001605000000000, -0.0001994300000000 ] - [ -0.0000504800000000, 0.0000178600000000, -0.0001389700000000 ] - [ -0.0000236400000000, 0.0000165600000000, 0.0001626600000000 ] - [ 0.0000909300000000, 0.0000691300000000, 0.0000985200000000 ] - [ 0.0134677800000000, -0.0128491400000000, -0.0124967600000000 ] - [ 0.0001115400000000, 0.0000803100000000, 0.0000368100000000 ] - [ 0.0002549900000000, 0.0000132000000000, 0.0000858600000000 ] - [ -0.0001562200000000, 0.0001146500000000, -0.0000220500000000 ] - [ -0.0001142000000000, -0.0002560700000000, 0.0004486000000000 ] - [ -0.0000222200000000, 0.0000755600000000, -0.0001277600000000 ] - [ 0.0004151400000000, 0.0000738400000000, 0.0004220300000000 ] - [ 0.0000493400000000, 0.0001358000000000, 0.0002260000000000 ] - [ -0.0001015700000000, -0.0002905400000000, -0.0004545000000000 ] - [ 0.0004975700000000, 0.0000942900000000, 0.0008706900000000 ] - [ -0.0004202800000000, -0.0001223300000000, -0.0000926500000000 ] - [ -0.0005219600000000, -0.0000658800000000, -0.0005294400000000 ] - [ -0.0000070100000000, -0.0000421300000000, 0.0001004100000000 ] - [ 0.0004411700000000, -0.0006864700000000, -0.0004839600000000 ] - [ -0.0010316600000000, -0.0007818000000000, -0.0005167500000000 ] - [ -0.0001941400000000, -0.0000549000000000, -0.0002582000000000 ] - [ -0.0000130900000000, 0.0001447700000000, 0.0001768200000000 ] - [ -0.0000246700000000, -0.0001419600000000, -0.0000949500000000 ] - [ 0.0005195400000000, 0.0002457700000000, -0.0001813100000000 ] - [ 0.0000218000000000, -0.0001194200000000, 0.0000406300000000 ] - [ -0.0010411200000000, 0.0000850200000000, -0.0006357500000000 ] - [ -0.0000192000000000, -0.0000181700000000, -0.0001059900000000 ] - [ -0.0006678600000000, -0.0002695000000000, 0.0001479700000000 ] - [ -0.0002195800000000, -0.0001188900000000, 0.0000107800000000 ] - [ 0.0002437700000000, 0.0002312300000000, 0.0000020300000000 ] - [ 0.0079125900000000, 0.0028257400000000, 0.0060513200000000 ] - [ 0.0000879600000000, 0.0002860000000000, 0.0000464000000000 ] - [ -0.0000814900000000, -0.0000583000000000, -0.0000975600000000 ] - [ 0.0001829900000000, 0.0000129100000000, -0.0000683900000000 ] - [ -0.0000590100000000, 0.0000161100000000, -0.0001327300000000 ] - [ -0.0001290600000000, 0.0002260400000000, 0.0000012900000000 ] - [ -0.0000022700000000, -0.0000815600000000, -0.0000424200000000 ] - [ -0.0000136300000000, -0.0013520700000000, -0.0002910500000000 ] - [ -0.0002020200000000, -0.0000503000000000, 0.0002083800000000 ] - [ -0.0000161500000000, -0.0000395200000000, 0.0000213400000000 ] - [ -0.0013486100000000, 0.0006543300000000, 0.0005474600000000 ] - [ 0.0001305600000000, -0.0000984800000000, 0.0000286900000000 ] - [ -0.0000889100000000, 0.0000081800000000, -0.0000114500000000 ] - [ 0.0000438800000000, 0.0001298400000000, -0.0002285500000000 ] - [ -0.0003153200000000, 0.0001794100000000, -0.0002017600000000 ] - [ 0.0001370500000000, -0.0000781500000000, 0.0000533300000000 ] - [ 0.0040740000000000, 0.0017255500000000, -0.0036788500000000 ] - [ 0.0000467800000000, 0.0000772000000000, 0.0001054900000000 ] - [ -0.0001395000000000, -0.0000548300000000, 0.0000734900000000 ] - [ 0.0001717000000000, -0.0000474300000000, -0.0000843700000000 ] - [ -0.0000469600000000, 0.0001587400000000, -0.0000960200000000 ] - [ -0.0000136000000000, -0.0001539100000000, 0.0000963400000000 ] - [ 0.0004632500000000, -0.0000417000000000, 0.0002028400000000 ] - [ -0.0000532800000000, -0.0001731400000000, 0.0000877600000000 ] - [ -0.0000144000000000, 0.0000185000000000, 0.0000326400000000 ] - [ -0.0001320800000000, -0.0000629700000000, -0.0000714800000000 ] - [ 0.0047015800000000, 0.0020454500000000, 0.0040114900000000 ] - [ -0.0000666500000000, -0.0001179700000000, -0.0001467700000000 ] - [ 0.0000839600000000, 0.0000181500000000, -0.0000020000000000 ] - [ -0.0000677700000000, 0.0000360100000000, 0.0000237500000000 ] - [ 0.0062252600000000, 0.0027321000000000, -0.0049969200000000 ] - [ -0.0002930400000000, -0.0001075400000000, 0.0000692700000000 ]- atom: 53 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001235000000000, 0.0000040400000000, -0.0000229900000000 ] - [ -0.0006381300000000, 0.0004130900000000, -0.0002826400000000 ] - [ 0.0000583900000000, 0.0000145300000000, -0.0000320300000000 ] - [ 0.0002461400000000, -0.0001601200000000, 0.0001185200000000 ] - [ 0.0000885900000000, -0.0005937700000000, -0.0004101700000000 ] - [ -0.0010666100000000, 0.0001161600000000, 0.0004929600000000 ] - [ -0.0000293600000000, -0.0000376000000000, -0.0000250200000000 ] - [ 0.0001349000000000, -0.0000416400000000, -0.0001347200000000 ] - [ 0.0001084600000000, -0.0000334800000000, -0.0000837700000000 ] - [ -0.0003924600000000, 0.0001267400000000, 0.0003566600000000 ] - [ -0.0000940800000000, -0.0003915300000000, 0.0002361300000000 ] - [ -0.0000220200000000, 0.0000145000000000, 0.0000182300000000 ] - [ -0.0021568400000000, -0.0001097400000000, -0.0007337100000000 ] - [ -0.0001383700000000, -0.0000205000000000, 0.0000538300000000 ] - [ 0.0001224900000000, 0.0001061900000000, 0.0000079500000000 ] - [ 0.0001489600000000, -0.0000715200000000, -0.0000074800000000 ] - [ -0.0000031900000000, -0.0008677000000000, 0.0000928100000000 ] - [ -0.0003044500000000, 0.0005576100000000, 0.0004438900000000 ] - [ -0.0001555300000000, 0.0000406400000000, 0.0000613100000000 ] - [ 0.0000263900000000, -0.0000133900000000, -0.0000752800000000 ] - [ 0.0000638700000000, 0.0000405800000000, -0.0001107900000000 ] - [ 0.0003819000000000, -0.0002596000000000, 0.0001299000000000 ] - [ -0.0000606900000000, -0.0000151700000000, 0.0000794400000000 ] - [ -0.0004960400000000, -0.0000705900000000, -0.0001591100000000 ] - [ -0.0002594100000000, 0.0003072900000000, -0.0001917600000000 ] - [ 0.0000669300000000, -0.0000758900000000, 0.0000797400000000 ] - [ -0.0000534600000000, 0.0000743800000000, -0.0000723900000000 ] - [ -0.0001751100000000, -0.0005731400000000, -0.0005586600000000 ] - [ -0.0001123800000000, 0.0002140900000000, 0.0000183000000000 ] - [ 0.0004360300000000, 0.0004873800000000, -0.0006697300000000 ] - [ 0.0000289200000000, 0.0003117000000000, -0.0001162700000000 ] - [ -0.0001463200000000, -0.0003856900000000, -0.0002647500000000 ] - [ 0.0003798700000000, 0.0000833800000000, 0.0000411300000000 ] - [ -0.0001520100000000, 0.0000683700000000, -0.0000206500000000 ] - [ 0.0000680500000000, -0.0000075100000000, -0.0001220400000000 ] - [ 0.0005392600000000, 0.0001811500000000, 0.0003578500000000 ] - [ 0.0001004500000000, 0.0000477900000000, -0.0001605500000000 ] - [ 0.0000772900000000, 0.0001925400000000, -0.0000666800000000 ] - [ -0.0001722800000000, 0.0000425100000000, 0.0001227500000000 ] - [ -0.0012710800000000, -0.0009056900000000, -0.0005045700000000 ] - [ 0.0000428900000000, 0.0000774600000000, 0.0001855400000000 ] - [ -0.0002270000000000, 0.0000221500000000, -0.0000121500000000 ] - [ -0.0004955200000000, -0.0004298700000000, 0.0000073300000000 ] - [ 0.0001535400000000, 0.0000171100000000, -0.0000638400000000 ] - [ -0.0005060900000000, 0.0000333100000000, 0.0000558800000000 ] - [ -0.0013473300000000, 0.0007835800000000, 0.0005344000000000 ] - [ 0.0000363700000000, 0.0000294600000000, 0.0002291100000000 ] - [ -0.0000700300000000, -0.0000233300000000, -0.0003214800000000 ] - [ -0.0000428400000000, 0.0000865400000000, -0.0001277100000000 ] - [ -0.0001141600000000, -0.0000183300000000, 0.0001996500000000 ] - [ 0.0001191000000000, 0.0000974900000000, 0.0000712100000000 ] - [ -0.0012946900000000, 0.0028049500000000, 0.0001671400000000 ] - [ 0.0426492600000000, -0.0083624800000000, -0.0100212200000000 ] - [ 0.0000044900000000, 0.0001020500000000, 0.0000686700000000 ] - [ -0.0001585900000000, -0.0000991700000000, -0.0000379900000000 ] - [ -0.0000947100000000, 0.0001000400000000, -0.0000569200000000 ] - [ -0.0000558600000000, -0.0003842700000000, 0.0001853000000000 ] - [ -0.0007837500000000, 0.0001110100000000, -0.0003777900000000 ] - [ -0.0000236300000000, -0.0000915900000000, -0.0002758600000000 ] - [ 0.0000886200000000, 0.0000978900000000, 0.0001316500000000 ] - [ 0.0000916300000000, 0.0000814800000000, 0.0001067300000000 ] - [ 0.0006050400000000, 0.0002087900000000, -0.0004990200000000 ] - [ 0.0003230600000000, 0.0000785700000000, -0.0002314400000000 ] - [ -0.0001528300000000, -0.0000653300000000, 0.0001126400000000 ] - [ -0.0009561300000000, -0.0000468300000000, 0.0001203800000000 ] - [ 0.0000110600000000, 0.0000626500000000, 0.0002057000000000 ] - [ -0.0000350400000000, -0.0000699400000000, 0.0002094300000000 ] - [ 0.0000329300000000, 0.0003172500000000, -0.0002123400000000 ] - [ -0.0000163400000000, -0.0000548700000000, -0.0000841200000000 ] - [ -0.0000439400000000, 0.0000201200000000, 0.0000616300000000 ] - [ -0.0000262000000000, -0.0001044700000000, 0.0001246600000000 ] - [ -0.0134937100000000, 0.0127718100000000, 0.0122095800000000 ] - [ 0.0002116200000000, 0.0000051900000000, -0.0000902700000000 ] - [ 0.0000668900000000, -0.0000995100000000, -0.0000336700000000 ] - [ -0.0001655100000000, -0.0000259200000000, 0.0000746200000000 ] - [ -0.0002123200000000, 0.0001835200000000, -0.0005040900000000 ] - [ -0.0000333500000000, 0.0000588200000000, -0.0004115300000000 ] - [ -0.0004697100000000, -0.0002108300000000, 0.0001173900000000 ] - [ 0.0000056400000000, 0.0000008800000000, 0.0003136300000000 ] - [ 0.0001542300000000, 0.0001601400000000, -0.0000797300000000 ] - [ -0.0003688600000000, 0.0000811000000000, -0.0004367500000000 ] - [ 0.0005663100000000, -0.0000596700000000, -0.0003305700000000 ] - [ 0.0003826700000000, 0.0002474300000000, 0.0001126700000000 ] - [ -0.0001350200000000, -0.0001416800000000, 0.0003199600000000 ] - [ -0.0001446900000000, 0.0005270000000000, 0.0007836400000000 ] - [ 0.0013623600000000, 0.0009231200000000, 0.0001941600000000 ] - [ -0.0001359200000000, -0.0001024800000000, -0.0000536300000000 ] - [ -0.0003170900000000, 0.0000098500000000, 0.0001331300000000 ] - [ 0.0000824800000000, -0.0001204200000000, -0.0000645500000000 ] - [ -0.0004598600000000, 0.0000156900000000, 0.0003384300000000 ] - [ -0.0000796900000000, -0.0001463000000000, 0.0001184100000000 ] - [ 0.0009845600000000, 0.0001749300000000, 0.0004812600000000 ] - [ 0.0000066200000000, 0.0000487500000000, 0.0000875600000000 ] - [ 0.0006556400000000, 0.0002405300000000, -0.0001295600000000 ] - [ 0.0002340300000000, 0.0001481800000000, 0.0000064900000000 ] - [ -0.0002317800000000, -0.0002695700000000, -0.0000234900000000 ] - [ -0.0077715500000000, -0.0028383100000000, -0.0057439300000000 ] - [ -0.0000573600000000, -0.0001954900000000, -0.0001840000000000 ] - [ 0.0000626300000000, -0.0000298200000000, -0.0000420900000000 ] - [ -0.0002047700000000, 0.0000752900000000, 0.0002076700000000 ] - [ -0.0000614500000000, -0.0001180900000000, 0.0001725600000000 ] - [ 0.0000085800000000, -0.0001226300000000, -0.0000402400000000 ] - [ 0.0001248800000000, -0.0000242300000000, 0.0000025200000000 ] - [ 0.0001292700000000, 0.0014476300000000, 0.0003254200000000 ] - [ -0.0000145200000000, 0.0001707500000000, -0.0000663800000000 ] - [ -0.0002031800000000, -0.0000810500000000, -0.0001656000000000 ] - [ 0.0015749000000000, -0.0005345700000000, -0.0006988200000000 ] - [ 0.0000854600000000, -0.0000274900000000, 0.0001112800000000 ] - [ -0.0000003300000000, -0.0000556000000000, 0.0000170300000000 ] - [ -0.0001340500000000, -0.0000831400000000, 0.0002248300000000 ] - [ 0.0004127400000000, -0.0002211900000000, 0.0001971800000000 ] - [ -0.0000478600000000, 0.0001192700000000, -0.0000452300000000 ] - [ -0.0040011800000000, -0.0016398300000000, 0.0034033200000000 ] - [ -0.0000820900000000, -0.0000943700000000, 0.0000210100000000 ] - [ 0.0001790300000000, 0.0000744200000000, 0.0000564200000000 ] - [ -0.0001369100000000, 0.0000276800000000, -0.0000440800000000 ] - [ -0.0000616600000000, 0.0000864100000000, 0.0001347300000000 ] - [ -0.0000932600000000, -0.0000902000000000, -0.0001325200000000 ] - [ -0.0003631700000000, 0.0002834100000000, -0.0002379700000000 ] - [ 0.0001655700000000, -0.0000726500000000, -0.0000498700000000 ] - [ -0.0000778300000000, 0.0001509800000000, -0.0000902700000000 ] - [ 0.0000433600000000, -0.0001069200000000, 0.0001315900000000 ] - [ -0.0047628600000000, -0.0019263000000000, -0.0041261200000000 ] - [ 0.0001577900000000, -0.0000541800000000, 0.0000873000000000 ] - [ -0.0000436900000000, -0.0000006900000000, 0.0001838400000000 ] - [ 0.0001107400000000, -0.0000523000000000, -0.0002054400000000 ] - [ -0.0064206800000000, -0.0027686400000000, 0.0050069700000000 ] - [ 0.0002510400000000, 0.0000894500000000, 0.0001149900000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001630300000000, 0.0000230400000000, -0.0000702000000000 ] - [ -0.0000128900000000, -0.0000951800000000, -0.0000799800000000 ] - [ 0.0001211300000000, -0.0000218200000000, -0.0000268400000000 ] - [ 0.0001852100000000, 0.0001691200000000, 0.0000688500000000 ] - [ -0.0004304400000000, 0.0001469800000000, -0.0000052800000000 ] - [ -0.0002280200000000, -0.0000958800000000, 0.0002968400000000 ] - [ 0.0000165100000000, -0.0000320500000000, -0.0000119600000000 ] - [ 0.0000796200000000, 0.0001513400000000, -0.0000037200000000 ] - [ 0.0000805700000000, -0.0000263600000000, -0.0002120200000000 ] - [ 0.0003503100000000, -0.0002171300000000, -0.0002935500000000 ] - [ 0.0000342600000000, -0.0001032700000000, 0.0000438200000000 ] - [ -0.0000672600000000, 0.0001901800000000, 0.0000075600000000 ] - [ 0.0000632500000000, 0.0003357600000000, 0.0001151700000000 ] - [ -0.0002504300000000, -0.0006452400000000, -0.0004181000000000 ] - [ 0.0001045200000000, 0.0002518400000000, 0.0000076100000000 ] - [ 0.0001687200000000, -0.0001056800000000, 0.0000036300000000 ] - [ 0.0003771800000000, 0.0008970500000000, 0.0003975900000000 ] - [ 0.0002444800000000, -0.0000925100000000, -0.0000333700000000 ] - [ -0.0000203300000000, -0.0000805100000000, -0.0000404300000000 ] - [ 0.0000156200000000, 0.0000539900000000, -0.0000992400000000 ] - [ 0.0000968500000000, 0.0000417000000000, -0.0001369800000000 ] - [ 0.0002561800000000, 0.0002332100000000, -0.0002118700000000 ] - [ -0.0001113100000000, 0.0000440700000000, 0.0000741800000000 ] - [ -0.0001580800000000, -0.0001579100000000, 0.0000070600000000 ] - [ 0.0000699900000000, -0.0002042000000000, 0.0002623900000000 ] - [ -0.0000926600000000, -0.0001019400000000, 0.0002957100000000 ] - [ -0.0000520600000000, 0.0001249800000000, -0.0001081000000000 ] - [ 0.0000188800000000, -0.0000671300000000, 0.0000583500000000 ] - [ -0.0000012200000000, 0.0002182700000000, -0.0000162900000000 ] - [ 0.0004136000000000, 0.0019770100000000, -0.0019214000000000 ] - [ 0.0000287800000000, 0.0004752400000000, -0.0002056300000000 ] - [ 0.0001084900000000, -0.0001043500000000, 0.0001778400000000 ] - [ -0.0000654800000000, -0.0002551700000000, 0.0001156500000000 ] - [ -0.0000477100000000, -0.0000351300000000, -0.0000394500000000 ] - [ 0.0000822400000000, 0.0000208600000000, -0.0001325600000000 ] - [ -0.0000710500000000, -0.0001879600000000, 0.0000918200000000 ] - [ 0.0001591500000000, 0.0000358300000000, -0.0002193400000000 ] - [ -0.0004207100000000, 0.0008067800000000, -0.0006298700000000 ] - [ -0.0001767500000000, 0.0001022700000000, 0.0001646800000000 ] - [ 0.0003398700000000, -0.0000237000000000, -0.0003577500000000 ] - [ -0.0000124200000000, 0.0002360600000000, 0.0002925500000000 ] - [ -0.0001052100000000, 0.0000749500000000, 0.0000421000000000 ] - [ 0.0002259900000000, -0.0001467900000000, -0.0000413800000000 ] - [ 0.0001388500000000, 0.0000714200000000, -0.0000474000000000 ] - [ 0.0003542700000000, 0.0001218700000000, 0.0001260700000000 ] - [ -0.0015957600000000, -0.0015759400000000, -0.0018642800000000 ] - [ -0.0000182000000000, 0.0001287100000000, 0.0002306300000000 ] - [ 0.0000014700000000, 0.0000504900000000, -0.0002220600000000 ] - [ -0.0001327000000000, 0.0001223100000000, -0.0001047500000000 ] - [ -0.0000980900000000, -0.0000348100000000, 0.0000210100000000 ] - [ 0.0001695100000000, 0.0000184700000000, 0.0001820800000000 ] - [ -0.0030063300000000, 0.0072695300000000, 0.0005086900000000 ] - [ 0.0079981900000000, -0.0547702600000000, -0.0242822600000000 ] - [ 0.0001204000000000, -0.0000836000000000, -0.0000472200000000 ] - [ -0.0001192700000000, 0.0000380500000000, 0.0000434000000000 ] - [ -0.0001193800000000, 0.0001036300000000, -0.0001238400000000 ] - [ -0.0001692000000000, -0.0001212600000000, 0.0004824800000000 ] - [ 0.0000015100000000, 0.0000605500000000, 0.0002132900000000 ] - [ 0.0000732400000000, -0.0001566800000000, -0.0001627500000000 ] - [ 0.0000777900000000, 0.0002076500000000, 0.0001030100000000 ] - [ 0.0001166200000000, 0.0000746900000000, 0.0001669000000000 ] - [ -0.0001828200000000, -0.0001004900000000, -0.0009889100000000 ] - [ -0.0001845600000000, -0.0001527100000000, -0.0002177400000000 ] - [ -0.0001138900000000, -0.0000392200000000, 0.0000397400000000 ] - [ -0.0000012600000000, 0.0010235500000000, 0.0002631400000000 ] - [ 0.0000127700000000, 0.0000864600000000, 0.0002015700000000 ] - [ -0.0000370600000000, -0.0000973800000000, 0.0002270000000000 ] - [ -0.0001621700000000, 0.0001931400000000, -0.0000599400000000 ] - [ -0.0000078700000000, -0.0000846100000000, -0.0000805700000000 ] - [ -0.0000457200000000, 0.0000723300000000, 0.0001104600000000 ] - [ 0.0001225800000000, -0.0000162400000000, 0.0001479500000000 ] - [ -0.0124414500000000, 0.0376570000000000, 0.0279245400000000 ] - [ 0.0002272800000000, -0.0000689200000000, -0.0001842200000000 ] - [ 0.0002774400000000, 0.0000140600000000, -0.0000274000000000 ] - [ -0.0001179900000000, 0.0000511600000000, 0.0000040400000000 ] - [ -0.0001219200000000, -0.0001978800000000, -0.0007394200000000 ] - [ -0.0001503000000000, -0.0000052200000000, -0.0005721500000000 ] - [ 0.0002308000000000, 0.0000932500000000, 0.0003137100000000 ] - [ 0.0000393500000000, 0.0000563000000000, 0.0002449800000000 ] - [ -0.0001762600000000, 0.0002956800000000, 0.0001619100000000 ] - [ 0.0007693200000000, 0.0008352500000000, -0.0017297900000000 ] - [ -0.0001312200000000, -0.0001349900000000, -0.0006055300000000 ] - [ -0.0001643800000000, 0.0001744700000000, -0.0002257600000000 ] - [ -0.0001828900000000, -0.0002823300000000, 0.0004222800000000 ] - [ 0.0024440000000000, 0.0019458900000000, 0.0018990100000000 ] - [ -0.0000187600000000, -0.0000579600000000, -0.0006580300000000 ] - [ -0.0001517900000000, -0.0000600400000000, -0.0001037700000000 ] - [ -0.0002262700000000, -0.0001462300000000, 0.0000667100000000 ] - [ 0.0000339300000000, -0.0001610000000000, -0.0000386300000000 ] - [ -0.0007811400000000, -0.0001712400000000, 0.0003687600000000 ] - [ -0.0000132700000000, -0.0002363800000000, 0.0000915700000000 ] - [ -0.0003635000000000, 0.0004155400000000, -0.0000823100000000 ] - [ 0.0001241400000000, 0.0000590700000000, 0.0002167600000000 ] - [ -0.0002391100000000, -0.0000523700000000, 0.0001276800000000 ] - [ 0.0000303700000000, 0.0000331800000000, 0.0000546600000000 ] - [ 0.0000186100000000, -0.0006984500000000, 0.0000463900000000 ] - [ 0.0028305200000000, 0.0010845300000000, 0.0024120600000000 ] - [ -0.0008541100000000, -0.0001088500000000, -0.0003850200000000 ] - [ 0.0000439800000000, -0.0000487300000000, -0.0000235200000000 ] - [ -0.0000444400000000, 0.0000347300000000, 0.0000412200000000 ] - [ 0.0000311200000000, -0.0001268400000000, 0.0000292300000000 ] - [ 0.0000775700000000, 0.0000589800000000, -0.0000803300000000 ] - [ 0.0001250000000000, -0.0000361100000000, 0.0000105800000000 ] - [ -0.0000965800000000, 0.0002051000000000, -0.0003528000000000 ] - [ -0.0003643300000000, -0.0001709200000000, 0.0000636400000000 ] - [ -0.0001426900000000, -0.0000825900000000, -0.0000180600000000 ] - [ -0.0005971300000000, 0.0009025100000000, -0.0002602000000000 ] - [ 0.0001074300000000, 0.0000889000000000, 0.0002463100000000 ] - [ -0.0000866100000000, -0.0002084500000000, 0.0001861600000000 ] - [ -0.0000467400000000, 0.0000944800000000, 0.0000211600000000 ] - [ 0.0003827000000000, 0.0002590400000000, -0.0001103600000000 ] - [ -0.0000289100000000, 0.0000850300000000, -0.0001745700000000 ] - [ 0.0012381600000000, 0.0008338900000000, -0.0013638500000000 ] - [ -0.0001651200000000, -0.0000965400000000, 0.0001934200000000 ] - [ 0.0001053600000000, -0.0000574000000000, 0.0000634800000000 ] - [ -0.0001192500000000, -0.0000207300000000, 0.0000364200000000 ] - [ -0.0000314500000000, 0.0002255500000000, 0.0002446300000000 ] - [ 0.0000208900000000, -0.0000119100000000, 0.0002459900000000 ] - [ -0.0002038100000000, -0.0000798300000000, 0.0000869200000000 ] - [ 0.0001296400000000, -0.0001655900000000, -0.0000584700000000 ] - [ 0.0000073900000000, -0.0001811900000000, -0.0001890800000000 ] - [ 0.0000798700000000, 0.0000554000000000, 0.0000752500000000 ] - [ 0.0018462100000000, 0.0009085100000000, 0.0016198400000000 ] - [ 0.0000371800000000, -0.0001063400000000, 0.0000395400000000 ] - [ -0.0000715000000000, -0.0001889800000000, 0.0003077200000000 ] - [ 0.0001164300000000, 0.0001387500000000, -0.0000139400000000 ] - [ 0.0024659900000000, 0.0013336900000000, -0.0018058200000000 ] - [ -0.0000550000000000, -0.0001962100000000, -0.0001373800000000 ]- atom: 53 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000789400000000, -0.0000196600000000, 0.0001201000000000 ] - [ -0.0002279800000000, 0.0000924000000000, 0.0000300600000000 ] - [ 0.0001216200000000, 0.0000257600000000, -0.0000244800000000 ] - [ 0.0000546200000000, -0.0001770500000000, -0.0000153600000000 ] - [ 0.0003739800000000, -0.0002187500000000, -0.0000264500000000 ] - [ 0.0001805500000000, 0.0001630900000000, -0.0002663000000000 ] - [ 0.0000363000000000, -0.0000370100000000, 0.0000393000000000 ] - [ -0.0000262600000000, -0.0000845500000000, -0.0000268900000000 ] - [ 0.0000320800000000, 0.0000006600000000, 0.0001730800000000 ] - [ -0.0002358000000000, 0.0002461700000000, 0.0003303600000000 ] - [ -0.0001475600000000, 0.0000822400000000, -0.0000084300000000 ] - [ -0.0000446200000000, -0.0001676800000000, -0.0000431700000000 ] - [ -0.0003675200000000, -0.0001888900000000, -0.0000521100000000 ] - [ -0.0000505600000000, 0.0004854400000000, 0.0003452200000000 ] - [ 0.0001919100000000, -0.0001029400000000, -0.0000725400000000 ] - [ 0.0001273700000000, -0.0000426100000000, 0.0000609100000000 ] - [ -0.0003595600000000, -0.0009073000000000, -0.0004341700000000 ] - [ -0.0002285600000000, 0.0001093100000000, 0.0000741300000000 ] - [ 0.0000090900000000, 0.0000638900000000, 0.0000820500000000 ] - [ -0.0000280700000000, -0.0000376600000000, 0.0000539400000000 ] - [ 0.0000751700000000, 0.0000494400000000, -0.0000297700000000 ] - [ -0.0000798300000000, -0.0003245300000000, 0.0003771100000000 ] - [ -0.0000615100000000, 0.0000443700000000, 0.0000921000000000 ] - [ -0.0000149400000000, 0.0000670700000000, -0.0001717700000000 ] - [ -0.0000200300000000, 0.0003156700000000, -0.0002087000000000 ] - [ 0.0001383900000000, -0.0000106700000000, -0.0003476300000000 ] - [ 0.0000031500000000, -0.0000138900000000, 0.0000525900000000 ] - [ -0.0000728800000000, -0.0000412700000000, -0.0000047500000000 ] - [ -0.0000439000000000, 0.0001930400000000, 0.0000204600000000 ] - [ -0.0004588600000000, -0.0023704700000000, 0.0019020800000000 ] - [ 0.0000166500000000, -0.0000653500000000, 0.0001999200000000 ] - [ -0.0000652500000000, -0.0003104700000000, -0.0001768100000000 ] - [ -0.0000967800000000, 0.0002464400000000, 0.0000579600000000 ] - [ -0.0001097100000000, 0.0000505400000000, -0.0001345700000000 ] - [ 0.0000760600000000, -0.0000381800000000, -0.0000449400000000 ] - [ 0.0002335000000000, 0.0001992200000000, 0.0000474000000000 ] - [ 0.0001220900000000, 0.0000803600000000, -0.0001145500000000 ] - [ 0.0006931900000000, -0.0009130400000000, 0.0009541300000000 ] - [ -0.0001031600000000, 0.0000099800000000, 0.0001682600000000 ] - [ -0.0006335000000000, -0.0000870200000000, 0.0000280600000000 ] - [ -0.0002616800000000, -0.0003298800000000, -0.0002869000000000 ] - [ -0.0001697000000000, 0.0000186000000000, -0.0000440100000000 ] - [ 0.0000533300000000, 0.0000594400000000, 0.0000413700000000 ] - [ 0.0001362400000000, 0.0000188400000000, 0.0000464100000000 ] - [ -0.0003650900000000, -0.0001988400000000, -0.0005254900000000 ] - [ 0.0015620000000000, 0.0016349400000000, 0.0022235500000000 ] - [ 0.0000312400000000, -0.0002081400000000, 0.0001686200000000 ] - [ 0.0000118600000000, 0.0000274600000000, -0.0001798200000000 ] - [ 0.0000054500000000, -0.0000693300000000, -0.0002098500000000 ] - [ -0.0000291700000000, -0.0000181000000000, 0.0002912000000000 ] - [ -0.0000392700000000, 0.0000358700000000, 0.0001279700000000 ] - [ 0.0031591700000000, -0.0073619100000000, -0.0008725200000000 ] - [ -0.0086477100000000, 0.0559176400000000, 0.0257241100000000 ] - [ 0.0000363400000000, 0.0001974200000000, 0.0000732600000000 ] - [ -0.0000387100000000, -0.0001547600000000, -0.0000161400000000 ] - [ -0.0000374300000000, 0.0000124000000000, 0.0000945300000000 ] - [ 0.0000586000000000, -0.0000949000000000, -0.0001398600000000 ] - [ -0.0001042300000000, 0.0001579900000000, -0.0005522200000000 ] - [ 0.0000395600000000, -0.0000588600000000, -0.0001792200000000 ] - [ 0.0000357000000000, 0.0000088400000000, 0.0002363600000000 ] - [ 0.0000864300000000, 0.0000447100000000, 0.0000569600000000 ] - [ 0.0003959200000000, -0.0000281300000000, 0.0007809200000000 ] - [ -0.0000180700000000, 0.0002712500000000, -0.0000006100000000 ] - [ -0.0000891700000000, -0.0000799300000000, 0.0001826100000000 ] - [ 0.0000592000000000, -0.0011889200000000, -0.0006695000000000 ] - [ 0.0000490000000000, 0.0000668800000000, 0.0002043400000000 ] - [ -0.0000240600000000, -0.0000553600000000, 0.0001784800000000 ] - [ 0.0001049700000000, -0.0000490400000000, -0.0003381500000000 ] - [ -0.0000590000000000, 0.0000472900000000, -0.0001437900000000 ] - [ -0.0000208400000000, -0.0000339400000000, 0.0001143800000000 ] - [ -0.0000537300000000, -0.0000236600000000, 0.0000786800000000 ] - [ 0.0132138400000000, -0.0389422500000000, -0.0295002800000000 ] - [ 0.0000956400000000, 0.0001539500000000, 0.0001331100000000 ] - [ 0.0000466000000000, -0.0000977000000000, 0.0000767600000000 ] - [ -0.0002048900000000, 0.0000315400000000, 0.0000470100000000 ] - [ -0.0001918500000000, 0.0000933000000000, 0.0007146600000000 ] - [ 0.0000938700000000, 0.0001411100000000, 0.0000296900000000 ] - [ -0.0002875200000000, -0.0002269900000000, 0.0002300200000000 ] - [ 0.0000165600000000, 0.0000778400000000, 0.0002944500000000 ] - [ 0.0002302300000000, -0.0004255700000000, -0.0007025400000000 ] - [ -0.0006291300000000, -0.0006168400000000, 0.0021224300000000 ] - [ 0.0002632900000000, -0.0000410800000000, 0.0001887400000000 ] - [ 0.0000286400000000, 0.0000003600000000, -0.0001911900000000 ] - [ 0.0000463400000000, 0.0001083900000000, -0.0000014200000000 ] - [ -0.0020718600000000, -0.0020543600000000, -0.0015504700000000 ] - [ 0.0003411600000000, 0.0002219600000000, 0.0003419500000000 ] - [ -0.0001758200000000, -0.0000996400000000, -0.0002108100000000 ] - [ -0.0001029300000000, 0.0003077300000000, 0.0002505500000000 ] - [ 0.0000201100000000, -0.0001019500000000, -0.0001141200000000 ] - [ 0.0008326000000000, 0.0004444200000000, -0.0002250300000000 ] - [ -0.0000408300000000, -0.0000233800000000, 0.0000617300000000 ] - [ 0.0003113600000000, -0.0001613400000000, -0.0000701600000000 ] - [ -0.0001398100000000, -0.0000243600000000, -0.0002352000000000 ] - [ 0.0002189700000000, 0.0000175100000000, -0.0001108200000000 ] - [ -0.0000166300000000, -0.0000011000000000, -0.0000331900000000 ] - [ -0.0000021000000000, 0.0006748900000000, -0.0000600200000000 ] - [ -0.0027831800000000, -0.0011778400000000, -0.0022425700000000 ] - [ 0.0008544200000000, 0.0001990500000000, 0.0002401200000000 ] - [ -0.0000631500000000, -0.0000369800000000, -0.0001160300000000 ] - [ 0.0000271600000000, 0.0000540800000000, 0.0001028700000000 ] - [ -0.0001545600000000, 0.0000201000000000, 0.0000088100000000 ] - [ -0.0002026100000000, 0.0000506900000000, 0.0000415700000000 ] - [ -0.0000025600000000, -0.0000685900000000, -0.0000455400000000 ] - [ 0.0002329400000000, -0.0000792900000000, 0.0003927100000000 ] - [ 0.0001502700000000, 0.0002936300000000, 0.0000793400000000 ] - [ -0.0000701000000000, -0.0000384100000000, -0.0001242800000000 ] - [ 0.0007894200000000, -0.0007808400000000, 0.0001205400000000 ] - [ 0.0001072800000000, -0.0002042600000000, -0.0000980500000000 ] - [ 0.0000030900000000, 0.0001592200000000, -0.0001808000000000 ] - [ -0.0000361100000000, -0.0000471100000000, -0.0000240300000000 ] - [ -0.0003029800000000, -0.0003155100000000, 0.0001014700000000 ] - [ 0.0001125600000000, -0.0000304300000000, 0.0001749300000000 ] - [ -0.0012567900000000, -0.0008242900000000, 0.0012128500000000 ] - [ 0.0001249900000000, 0.0000761900000000, -0.0000593800000000 ] - [ -0.0000664600000000, 0.0000802500000000, 0.0000664400000000 ] - [ 0.0001587700000000, 0.0000011500000000, -0.0001659500000000 ] - [ -0.0000778800000000, 0.0000209900000000, -0.0002076800000000 ] - [ -0.0001303500000000, -0.0002330400000000, -0.0002789200000000 ] - [ 0.0003186500000000, 0.0003249300000000, -0.0001257300000000 ] - [ -0.0000251600000000, -0.0000760400000000, 0.0000916300000000 ] - [ -0.0001025300000000, 0.0003596900000000, 0.0001309400000000 ] - [ -0.0001767800000000, -0.0002328500000000, -0.0000188100000000 ] - [ -0.0017366900000000, -0.0007405900000000, -0.0015616500000000 ] - [ 0.0000584300000000, -0.0000674200000000, -0.0000939700000000 ] - [ 0.0001074600000000, 0.0002126500000000, -0.0001247600000000 ] - [ -0.0000824400000000, -0.0001626900000000, -0.0001637700000000 ] - [ -0.0024879000000000, -0.0013016200000000, 0.0015934200000000 ] - [ 0.0000198000000000, 0.0001767500000000, 0.0003169300000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001043500000000, 0.0000357600000000, 0.0001815500000000 ] - [ 0.0001145500000000, -0.0002483900000000, 0.0001040200000000 ] - [ 0.0001791200000000, -0.0001411600000000, -0.0000352000000000 ] - [ 0.0001253900000000, -0.0000988400000000, -0.0001465000000000 ] - [ -0.0003731100000000, 0.0006766700000000, 0.0000712600000000 ] - [ -0.0002457600000000, 0.0001138600000000, -0.0003532700000000 ] - [ 0.0000845100000000, -0.0000312300000000, 0.0001857600000000 ] - [ 0.0000017500000000, 0.0000777400000000, 0.0000290800000000 ] - [ 0.0000418100000000, 0.0000315200000000, 0.0000931200000000 ] - [ -0.0001943500000000, 0.0001725200000000, 0.0001407600000000 ] - [ -0.0002540400000000, -0.0005940800000000, 0.0002448600000000 ] - [ -0.0001668900000000, 0.0000198300000000, -0.0000074100000000 ] - [ -0.0003115000000000, 0.0004899700000000, -0.0004496300000000 ] - [ -0.0002016500000000, -0.0003152800000000, -0.0003802800000000 ] - [ 0.0001424500000000, 0.0000372000000000, 0.0000709800000000 ] - [ 0.0001149500000000, -0.0000973100000000, 0.0002461300000000 ] - [ 0.0000006800000000, 0.0002408700000000, -0.0004553700000000 ] - [ -0.0002031500000000, 0.0005469900000000, 0.0004318000000000 ] - [ -0.0000661000000000, 0.0000231600000000, 0.0000491600000000 ] - [ -0.0001027100000000, -0.0000591800000000, 0.0001578600000000 ] - [ 0.0001151000000000, 0.0001026100000000, 0.0000976400000000 ] - [ 0.0001240300000000, -0.0001862100000000, 0.0002340000000000 ] - [ -0.0001542700000000, -0.0001921700000000, -0.0000277300000000 ] - [ -0.0001686300000000, -0.0001162200000000, -0.0003488900000000 ] - [ 0.0003869400000000, -0.0001016700000000, 0.0003490600000000 ] - [ 0.0000956400000000, -0.0003342700000000, 0.0001420300000000 ] - [ 0.0000048600000000, -0.0001301000000000, 0.0002201700000000 ] - [ 0.0000220800000000, 0.0003670000000000, 0.0001767500000000 ] - [ -0.0000572700000000, 0.0003898500000000, 0.0002433700000000 ] - [ -0.0002633000000000, -0.0025520700000000, 0.0022151500000000 ] - [ -0.0001325700000000, -0.0006163400000000, 0.0007158900000000 ] - [ -0.0000259100000000, -0.0001596200000000, -0.0002072900000000 ] - [ -0.0001356100000000, 0.0002838200000000, 0.0009021600000000 ] - [ -0.0000422700000000, 0.0000479900000000, -0.0001053100000000 ] - [ 0.0000994600000000, 0.0000036300000000, -0.0000469000000000 ] - [ -0.0001323900000000, 0.0004986500000000, 0.0020157000000000 ] - [ 0.0000692400000000, 0.0000480000000000, 0.0000810400000000 ] - [ 0.0004906600000000, -0.0005616700000000, 0.0007233400000000 ] - [ -0.0001250800000000, 0.0000452800000000, -0.0000030500000000 ] - [ -0.0004844200000000, -0.0000521900000000, -0.0009524100000000 ] - [ -0.0003987800000000, -0.0003983800000000, -0.0001066000000000 ] - [ -0.0000489300000000, 0.0000543600000000, 0.0002572900000000 ] - [ 0.0007218200000000, 0.0003371700000000, -0.0003240000000000 ] - [ 0.0000834500000000, -0.0000499900000000, 0.0000229100000000 ] - [ 0.0005342500000000, 0.0003071900000000, -0.0003318900000000 ] - [ -0.0010573600000000, -0.0027960200000000, -0.0017936200000000 ] - [ -0.0000241000000000, 0.0000676900000000, 0.0005669400000000 ] - [ 0.0000380100000000, 0.0001276700000000, -0.0000478500000000 ] - [ 0.0000278900000000, -0.0002252500000000, -0.0000526300000000 ] - [ -0.0000189600000000, -0.0000384700000000, 0.0002458100000000 ] - [ 0.0001525900000000, 0.0000659400000000, -0.0000070700000000 ] - [ 0.0008983500000000, -0.0018086800000000, -0.0029654100000000 ] - [ 0.0098764100000000, -0.0245764800000000, -0.0520310200000000 ] - [ 0.0001322300000000, -0.0000045400000000, -0.0001332700000000 ] - [ -0.0000246700000000, -0.0000859200000000, 0.0000595600000000 ] - [ -0.0001204200000000, 0.0001651500000000, 0.0003873900000000 ] - [ -0.0002681100000000, -0.0005170400000000, -0.0000513900000000 ] - [ -0.0008270600000000, 0.0000833900000000, -0.0003267200000000 ] - [ 0.0000777700000000, -0.0000960800000000, 0.0000119900000000 ] - [ 0.0000375100000000, 0.0000591900000000, 0.0003256300000000 ] - [ 0.0001431900000000, 0.0000188100000000, 0.0000755200000000 ] - [ 0.0003612900000000, -0.0004394700000000, 0.0013948700000000 ] - [ 0.0000064400000000, -0.0001350400000000, -0.0001856500000000 ] - [ -0.0000916200000000, -0.0001293200000000, 0.0001422400000000 ] - [ 0.0003273900000000, -0.0002882200000000, -0.0024989300000000 ] - [ 0.0000252600000000, 0.0000571300000000, 0.0002083400000000 ] - [ -0.0000036300000000, -0.0000589300000000, 0.0002310000000000 ] - [ -0.0003045400000000, 0.0007099800000000, -0.0010674200000000 ] - [ -0.0000312900000000, -0.0000446500000000, -0.0002703300000000 ] - [ -0.0000221000000000, -0.0000252800000000, 0.0001259800000000 ] - [ 0.0000453400000000, -0.0000397700000000, 0.0001819600000000 ] - [ -0.0122727400000000, 0.0288095900000000, 0.0296173700000000 ] - [ 0.0000721000000000, 0.0001771500000000, 0.0002262400000000 ] - [ 0.0001957300000000, -0.0001596300000000, 0.0001109900000000 ] - [ -0.0001673100000000, -0.0001504900000000, -0.0000442200000000 ] - [ -0.0009112000000000, 0.0013363300000000, -0.0004205100000000 ] - [ -0.0000366800000000, 0.0001875000000000, -0.0000563300000000 ] - [ -0.0004655800000000, -0.0002643600000000, -0.0001125900000000 ] - [ -0.0000209600000000, -0.0001232800000000, 0.0004121300000000 ] - [ -0.0000002300000000, -0.0000053500000000, -0.0003492700000000 ] - [ 0.0006982600000000, 0.0001827800000000, -0.0003584600000000 ] - [ 0.0000172700000000, -0.0003259200000000, -0.0006191000000000 ] - [ -0.0002618300000000, -0.0001681000000000, -0.0002837500000000 ] - [ 0.0001843300000000, 0.0002320200000000, -0.0006213700000000 ] - [ 0.0018795600000000, 0.0006363700000000, 0.0024162500000000 ] - [ 0.0003027800000000, -0.0002241100000000, 0.0001451700000000 ] - [ -0.0001540200000000, -0.0001376600000000, -0.0004610100000000 ] - [ -0.0000954500000000, 0.0000707800000000, -0.0000063400000000 ] - [ 0.0000574200000000, -0.0001999200000000, -0.0003663400000000 ] - [ 0.0007011700000000, 0.0000698700000000, -0.0005897300000000 ] - [ -0.0000451200000000, 0.0001677700000000, 0.0004639400000000 ] - [ 0.0003344400000000, 0.0000094200000000, 0.0006070500000000 ] - [ -0.0000040000000000, -0.0000320100000000, -0.0002651700000000 ] - [ -0.0000310100000000, 0.0002617700000000, 0.0000526100000000 ] - [ 0.0001743600000000, 0.0004907200000000, 0.0000158400000000 ] - [ -0.0000087100000000, 0.0000476800000000, -0.0001212400000000 ] - [ 0.0063157400000000, 0.0022531300000000, 0.0063400400000000 ] - [ -0.0008144400000000, -0.0003560500000000, 0.0000448200000000 ] - [ -0.0000389300000000, -0.0000931700000000, -0.0001891100000000 ] - [ -0.0001261000000000, -0.0001153400000000, -0.0002526300000000 ] - [ -0.0000965000000000, -0.0002583400000000, -0.0003693300000000 ] - [ -0.0003401300000000, -0.0000607900000000, 0.0001395600000000 ] - [ -0.0000207800000000, 0.0000267200000000, -0.0000324900000000 ] - [ 0.0001330300000000, -0.0000394400000000, 0.0005001200000000 ] - [ 0.0000106600000000, 0.0001034100000000, 0.0001165500000000 ] - [ -0.0000375200000000, -0.0000660200000000, -0.0005133800000000 ] - [ 0.0000290400000000, -0.0001252100000000, 0.0004350300000000 ] - [ 0.0001620800000000, 0.0000762800000000, 0.0001538600000000 ] - [ -0.0000002300000000, 0.0001048300000000, -0.0001907700000000 ] - [ -0.0001034300000000, 0.0001224900000000, -0.0003903900000000 ] - [ -0.0001581200000000, 0.0004901500000000, 0.0004974800000000 ] - [ -0.0000879100000000, 0.0002979900000000, 0.0001354600000000 ] - [ -0.0029151100000000, -0.0016385300000000, 0.0053168300000000 ] - [ -0.0001069700000000, -0.0002192100000000, 0.0000216300000000 ] - [ 0.0000623700000000, 0.0000592900000000, 0.0000957400000000 ] - [ 0.0003573700000000, 0.0001641400000000, -0.0005029800000000 ] - [ -0.0000684800000000, 0.0000782700000000, -0.0002663900000000 ] - [ -0.0000397100000000, -0.0000749800000000, -0.0004421600000000 ] - [ 0.0000702800000000, 0.0006438100000000, 0.0005189500000000 ] - [ 0.0002661400000000, 0.0000021000000000, 0.0001499400000000 ] - [ -0.0001361000000000, 0.0002864300000000, -0.0000198000000000 ] - [ -0.0002957200000000, -0.0001085600000000, -0.0004513500000000 ] - [ 0.0041454200000000, 0.0017531600000000, 0.0059826100000000 ] - [ -0.0000070000000000, -0.0001408600000000, -0.0000397400000000 ] - [ 0.0000381000000000, 0.0001114000000000, -0.0001250800000000 ] - [ 0.0002200100000000, -0.0000155900000000, -0.0004223400000000 ] - [ -0.0051661600000000, -0.0018513500000000, 0.0054499900000000 ] - [ 0.0000909600000000, -0.0002601200000000, 0.0002701700000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0001367100000000, -0.0000319000000000, -0.0001288100000000 ] - [ -0.0003565100000000, 0.0002477800000000, -0.0001552000000000 ] - [ 0.0000639500000000, 0.0001439800000000, -0.0000162400000000 ] - [ 0.0001135800000000, 0.0000895700000000, 0.0001978500000000 ] - [ 0.0003210300000000, -0.0007418400000000, -0.0001019900000000 ] - [ 0.0001991000000000, -0.0000407000000000, 0.0003770200000000 ] - [ -0.0000312900000000, -0.0000384500000000, -0.0001569500000000 ] - [ 0.0000501700000000, -0.0000106800000000, -0.0000570500000000 ] - [ 0.0000705200000000, -0.0000562700000000, -0.0001288800000000 ] - [ 0.0003081000000000, -0.0001438400000000, -0.0001028200000000 ] - [ 0.0001398400000000, 0.0005658900000000, -0.0002074000000000 ] - [ 0.0000555700000000, 0.0000000800000000, -0.0000317800000000 ] - [ 0.0000054000000000, -0.0003432800000000, 0.0005105000000000 ] - [ -0.0000999500000000, 0.0001730200000000, 0.0003171000000000 ] - [ 0.0001540000000000, 0.0001094500000000, -0.0001349500000000 ] - [ 0.0001810000000000, -0.0000519600000000, -0.0001797400000000 ] - [ -0.0000021000000000, -0.0002664600000000, 0.0004107500000000 ] - [ 0.0002144700000000, -0.0005284200000000, -0.0003894800000000 ] - [ 0.0000548300000000, -0.0000410800000000, -0.0000065600000000 ] - [ 0.0000895100000000, 0.0000747500000000, -0.0002005200000000 ] - [ 0.0000568700000000, -0.0000111100000000, -0.0002620200000000 ] - [ 0.0000385100000000, 0.0000939700000000, -0.0000629000000000 ] - [ -0.0000188200000000, 0.0002792700000000, 0.0001924100000000 ] - [ -0.0000020600000000, 0.0000243000000000, 0.0001852300000000 ] - [ -0.0003347300000000, 0.0002136700000000, -0.0002954500000000 ] - [ -0.0000404300000000, 0.0002095200000000, -0.0001858100000000 ] - [ -0.0000537400000000, 0.0002395800000000, -0.0002727900000000 ] - [ -0.0000732100000000, -0.0004781300000000, -0.0001202600000000 ] - [ 0.0000115900000000, 0.0000222500000000, -0.0002369600000000 ] - [ 0.0001935900000000, 0.0021497100000000, -0.0022185400000000 ] - [ 0.0001770500000000, 0.0010220800000000, -0.0007159300000000 ] - [ 0.0000727800000000, -0.0002527700000000, 0.0002158800000000 ] - [ -0.0000282100000000, -0.0002874400000000, -0.0007065700000000 ] - [ -0.0001155800000000, -0.0000335000000000, -0.0000717400000000 ] - [ 0.0000592900000000, -0.0000208900000000, -0.0001287000000000 ] - [ 0.0002893600000000, -0.0004790000000000, -0.0018648800000000 ] - [ 0.0002114300000000, 0.0000676300000000, -0.0004128200000000 ] - [ -0.0002039700000000, 0.0004343700000000, -0.0003789100000000 ] - [ -0.0001554200000000, 0.0000665700000000, 0.0003349400000000 ] - [ 0.0002140100000000, -0.0000595700000000, 0.0006223800000000 ] - [ 0.0001215900000000, 0.0003051700000000, 0.0001058800000000 ] - [ -0.0002262000000000, 0.0000379900000000, -0.0002571800000000 ] - [ -0.0004519400000000, -0.0004327400000000, 0.0003265500000000 ] - [ 0.0001918500000000, 0.0001406200000000, -0.0000226200000000 ] - [ -0.0005426900000000, -0.0003820400000000, -0.0000732900000000 ] - [ 0.0010481400000000, 0.0028223400000000, 0.0022109100000000 ] - [ 0.0000359200000000, -0.0001461000000000, -0.0001637300000000 ] - [ -0.0000243100000000, -0.0000510800000000, -0.0003525500000000 ] - [ -0.0001540600000000, 0.0002758200000000, -0.0002597700000000 ] - [ -0.0001084500000000, -0.0000152300000000, 0.0000673400000000 ] - [ -0.0000245500000000, -0.0000127600000000, 0.0003177500000000 ] - [ -0.0007833500000000, 0.0017804100000000, 0.0026898300000000 ] - [ -0.0101156800000000, 0.0254167500000000, 0.0523779100000000 ] - [ 0.0000254100000000, 0.0001200600000000, 0.0001589300000000 ] - [ -0.0001298200000000, -0.0000304100000000, -0.0000313800000000 ] - [ -0.0000361500000000, -0.0000489800000000, -0.0004131700000000 ] - [ 0.0001533300000000, 0.0002966400000000, 0.0003844000000000 ] - [ 0.0007109700000000, 0.0001333400000000, -0.0000185200000000 ] - [ 0.0000349500000000, -0.0001202300000000, -0.0003525600000000 ] - [ 0.0000751200000000, 0.0001557600000000, 0.0000165700000000 ] - [ 0.0000618700000000, 0.0000994100000000, 0.0001464300000000 ] - [ -0.0001523500000000, 0.0003077500000000, -0.0016004000000000 ] - [ -0.0002097800000000, 0.0002530500000000, -0.0000382200000000 ] - [ -0.0001109500000000, 0.0000094600000000, 0.0000817800000000 ] - [ -0.0002583000000000, 0.0001222200000000, 0.0020733300000000 ] - [ 0.0000365400000000, 0.0000958900000000, 0.0001996400000000 ] - [ -0.0000575200000000, -0.0000943000000000, 0.0001741000000000 ] - [ 0.0002484900000000, -0.0005679700000000, 0.0006689400000000 ] - [ -0.0000353400000000, 0.0000063500000000, 0.0000431600000000 ] - [ -0.0000442700000000, 0.0000622700000000, 0.0001014700000000 ] - [ 0.0000211800000000, 0.0000015700000000, 0.0000444600000000 ] - [ 0.0127471400000000, -0.0297620500000000, -0.0303367100000000 ] - [ 0.0002500800000000, -0.0000902500000000, -0.0002740700000000 ] - [ 0.0001256800000000, 0.0000779100000000, -0.0000603100000000 ] - [ -0.0001557500000000, 0.0002325900000000, 0.0000935600000000 ] - [ 0.0005986900000000, -0.0014436500000000, 0.0003811300000000 ] - [ -0.0000176900000000, -0.0000538800000000, -0.0004843600000000 ] - [ 0.0004172800000000, 0.0001342600000000, 0.0006563600000000 ] - [ 0.0000762700000000, 0.0002561000000000, 0.0001290600000000 ] - [ 0.0000556400000000, -0.0001295700000000, -0.0001920400000000 ] - [ -0.0005446800000000, 0.0000192300000000, 0.0007667600000000 ] - [ 0.0001182500000000, 0.0001472100000000, 0.0002027400000000 ] - [ 0.0001246800000000, 0.0003477500000000, -0.0001348300000000 ] - [ -0.0003189900000000, -0.0004043900000000, 0.0010343000000000 ] - [ -0.0015462000000000, -0.0007879500000000, -0.0020665200000000 ] - [ 0.0000212700000000, 0.0003841400000000, -0.0004523400000000 ] - [ -0.0001736200000000, -0.0000216000000000, 0.0001436900000000 ] - [ -0.0002310900000000, 0.0000914100000000, 0.0003224600000000 ] - [ -0.0000030100000000, -0.0000635000000000, 0.0002118800000000 ] - [ -0.0006260200000000, 0.0002181200000000, 0.0007328400000000 ] - [ -0.0000093400000000, -0.0004270400000000, -0.0003089800000000 ] - [ -0.0003965600000000, 0.0002568500000000, -0.0007661700000000 ] - [ -0.0000125600000000, 0.0000630500000000, 0.0002449200000000 ] - [ 0.0000111900000000, -0.0002973400000000, -0.0000317400000000 ] - [ -0.0001587100000000, -0.0004555200000000, 0.0000055700000000 ] - [ 0.0000282400000000, -0.0000697200000000, 0.0001102800000000 ] - [ -0.0061097600000000, -0.0022355600000000, -0.0060443100000000 ] - [ 0.0008206200000000, 0.0004435800000000, -0.0001791000000000 ] - [ 0.0000191300000000, 0.0000072200000000, 0.0000476300000000 ] - [ 0.0001070400000000, 0.0002034200000000, 0.0003928000000000 ] - [ -0.0000276300000000, 0.0001508600000000, 0.0004037000000000 ] - [ 0.0002087500000000, 0.0001632500000000, -0.0001772100000000 ] - [ 0.0001432000000000, -0.0001318500000000, -0.0000030900000000 ] - [ 0.0000016100000000, 0.0001633500000000, -0.0004617100000000 ] - [ -0.0002190800000000, 0.0000197600000000, 0.0000277900000000 ] - [ -0.0001740000000000, -0.0000551900000000, 0.0003666800000000 ] - [ 0.0001663300000000, 0.0002489400000000, -0.0005787800000000 ] - [ 0.0000512800000000, -0.0001955600000000, -0.0000087500000000 ] - [ -0.0000821200000000, -0.0001515400000000, 0.0001913400000000 ] - [ 0.0000212000000000, -0.0000739400000000, 0.0003870500000000 ] - [ 0.0002342800000000, -0.0005458600000000, -0.0005008800000000 ] - [ 0.0001702200000000, -0.0002422700000000, -0.0001267600000000 ] - [ 0.0030162100000000, 0.0017042100000000, -0.0055930500000000 ] - [ 0.0000688700000000, 0.0001993700000000, 0.0001084000000000 ] - [ -0.0000255300000000, -0.0000370300000000, 0.0000340200000000 ] - [ -0.0003162400000000, -0.0001823100000000, 0.0003711200000000 ] - [ -0.0000421700000000, 0.0001637100000000, 0.0002978900000000 ] - [ -0.0000714700000000, -0.0001733100000000, 0.0004064900000000 ] - [ 0.0000476000000000, -0.0003975100000000, -0.0005532400000000 ] - [ -0.0001609600000000, -0.0002444500000000, -0.0001135300000000 ] - [ 0.0000410000000000, -0.0001034400000000, -0.0000375600000000 ] - [ 0.0001977800000000, -0.0000685400000000, 0.0005059800000000 ] - [ -0.0041991300000000, -0.0016509700000000, -0.0060778500000000 ] - [ 0.0001023100000000, -0.0000344600000000, -0.0000168200000000 ] - [ -0.0000005500000000, -0.0000842000000000, 0.0003013300000000 ] - [ -0.0001840300000000, -0.0000073300000000, 0.0002420000000000 ] - [ 0.0049472900000000, 0.0018353500000000, -0.0054920700000000 ] - [ -0.0001247300000000, 0.0002390000000000, -0.0000843800000000 ]- atom: 57 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002074900000000, 0.0000213600000000, 0.0001474100000000 ] - [ -0.0000146100000000, 0.0001106300000000, 0.0000068900000000 ] - [ 0.0002809500000000, -0.0000646600000000, -0.0000996100000000 ] - [ -0.0003150100000000, 0.0004137400000000, -0.0001994700000000 ] - [ 0.0006269900000000, -0.0030309700000000, 0.0030245300000000 ] - [ 0.0001354500000000, 0.0001339300000000, -0.0000318900000000 ] - [ 0.0000377100000000, -0.0000369600000000, 0.0000149500000000 ] - [ -0.0000264700000000, 0.0000359900000000, -0.0000081200000000 ] - [ -0.0000219900000000, 0.0000106000000000, -0.0001830700000000 ] - [ 0.0001213700000000, -0.0000062100000000, -0.0000182500000000 ] - [ -0.0000975100000000, -0.0000617400000000, -0.0000703700000000 ] - [ -0.0000317400000000, 0.0004486000000000, -0.0002252500000000 ] - [ -0.0000240900000000, -0.0000500900000000, 0.0000205200000000 ] - [ 0.0024778300000000, 0.0015328800000000, -0.0043546100000000 ] - [ 0.0001497200000000, 0.0001142200000000, -0.0000433000000000 ] - [ 0.0001457400000000, -0.0000863000000000, 0.0000184600000000 ] - [ 0.0009147000000000, -0.0035120500000000, -0.0027425000000000 ] - [ 0.0001532600000000, 0.0000781900000000, -0.0000092200000000 ] - [ -0.0000054900000000, -0.0000219300000000, 0.0000348700000000 ] - [ -0.0000716200000000, 0.0000110500000000, -0.0000036200000000 ] - [ 0.0001416800000000, 0.0000953600000000, -0.0000873000000000 ] - [ 0.0000540700000000, -0.0001410800000000, -0.0000356100000000 ] - [ -0.0004902700000000, 0.0002518200000000, 0.0002131300000000 ] - [ -0.0000588100000000, -0.0000761200000000, -0.0000822000000000 ] - [ 0.0000876600000000, -0.0001032100000000, 0.0000372700000000 ] - [ 0.0042069500000000, 0.0014474900000000, 0.0044819600000000 ] - [ -0.0000044300000000, 0.0001042500000000, 0.0000305300000000 ] - [ -0.0000341900000000, -0.0000550800000000, 0.0000322600000000 ] - [ 0.0002200500000000, 0.0000876100000000, 0.0001504500000000 ] - [ -0.0001733700000000, 0.0001523400000000, 0.0004381100000000 ] - [ -0.0000155000000000, 0.0002794100000000, 0.0000551600000000 ] - [ 0.0000249600000000, -0.0002307500000000, 0.0000004300000000 ] - [ -0.0001827400000000, -0.0000270000000000, -0.0000447700000000 ] - [ 0.0009830000000000, -0.0000513400000000, -0.0008146000000000 ] - [ 0.0001051900000000, -0.0000158900000000, -0.0000667100000000 ] - [ 0.0000720600000000, 0.0000177500000000, 0.0001850300000000 ] - [ 0.0001819400000000, 0.0000039800000000, -0.0001043200000000 ] - [ -0.0000339700000000, -0.0001088700000000, 0.0002231500000000 ] - [ -0.0000449800000000, 0.0006397600000000, 0.0006494800000000 ] - [ -0.0001524200000000, -0.0000255000000000, -0.0001283300000000 ] - [ -0.0006443500000000, -0.0003168900000000, -0.0005732000000000 ] - [ -0.0000710100000000, 0.0000252100000000, -0.0000124200000000 ] - [ 0.0001472300000000, -0.0000494200000000, 0.0000081600000000 ] - [ 0.0000813600000000, 0.0001342600000000, 0.0001231700000000 ] - [ 0.0002896400000000, -0.0003346000000000, -0.0001784600000000 ] - [ 0.0000442000000000, 0.0027321800000000, 0.0004270600000000 ] - [ -0.0000085900000000, -0.0000272000000000, 0.0002237100000000 ] - [ 0.0000131700000000, 0.0000346800000000, -0.0001982400000000 ] - [ -0.0001152600000000, -0.0000011400000000, -0.0001836200000000 ] - [ -0.0000102600000000, -0.0001969300000000, 0.0001063300000000 ] - [ 0.0002929700000000, -0.0001079900000000, -0.0001007300000000 ] - [ 0.0000837500000000, -0.0000796300000000, -0.0001258200000000 ] - [ 0.0000808100000000, -0.0001727500000000, -0.0002249500000000 ] - [ 0.0008083900000000, 0.0000076500000000, 0.0007877400000000 ] - [ 0.0000012200000000, -0.0000765700000000, 0.0000356600000000 ] - [ -0.0001111700000000, 0.0000811000000000, 0.0000053100000000 ] - [ -0.0598022200000000, -0.0054149400000000, 0.0052436500000000 ] - [ 0.0000585400000000, 0.0000449300000000, -0.0001817800000000 ] - [ 0.0000541400000000, -0.0001159400000000, -0.0001686300000000 ] - [ 0.0000627200000000, 0.0001307100000000, 0.0001825400000000 ] - [ 0.0006532900000000, -0.0000297400000000, 0.0004833800000000 ] - [ 0.0000615700000000, -0.0000459000000000, -0.0001024700000000 ] - [ -0.0001729900000000, -0.0000407300000000, -0.0002641900000000 ] - [ -0.0000344600000000, -0.0000910900000000, 0.0000517100000000 ] - [ 0.0000101500000000, -0.0001135300000000, -0.0002106800000000 ] - [ -0.0001107800000000, 0.0000386200000000, 0.0002085500000000 ] - [ 0.0000095700000000, -0.0000702200000000, 0.0002042000000000 ] - [ -0.0000660200000000, 0.0001568400000000, -0.0001749100000000 ] - [ -0.0000437600000000, -0.0000436500000000, -0.0000665500000000 ] - [ 0.0000530000000000, 0.0000516500000000, 0.0002451900000000 ] - [ 0.0006978500000000, -0.0003500200000000, -0.0000421300000000 ] - [ -0.0000444900000000, 0.0000404000000000, 0.0000221800000000 ] - [ 0.0001315400000000, 0.0000768400000000, -0.0000409000000000 ] - [ 0.0002291700000000, 0.0000467600000000, 0.0000353400000000 ] - [ 0.0000885800000000, -0.0004453100000000, -0.0005706600000000 ] - [ -0.0001603300000000, 0.0000382400000000, -0.0000620900000000 ] - [ -0.0001442000000000, 0.0001525100000000, -0.0004858600000000 ] - [ 0.0000540200000000, -0.0001239400000000, 0.0001874000000000 ] - [ 0.0000254600000000, 0.0000257700000000, 0.0001999500000000 ] - [ 0.0000242900000000, -0.0000068700000000, -0.0003184400000000 ] - [ 0.0066537100000000, 0.0056776500000000, 0.0051268900000000 ] - [ -0.0002128000000000, 0.0000663800000000, -0.0003506700000000 ] - [ -0.0000805900000000, 0.0001032600000000, -0.0002277100000000 ] - [ -0.0000929100000000, -0.0001758000000000, 0.0000741300000000 ] - [ 0.0113136900000000, 0.0121916300000000, -0.0098761600000000 ] - [ -0.0001111100000000, 0.0001680800000000, 0.0000323400000000 ] - [ -0.0001823500000000, -0.0000550300000000, -0.0001348200000000 ] - [ -0.0001583100000000, 0.0000359300000000, 0.0001741900000000 ] - [ -0.0000549300000000, -0.0000368900000000, -0.0001761200000000 ] - [ 0.0004755300000000, 0.0005480800000000, 0.0000859100000000 ] - [ 0.0001855900000000, -0.0006189400000000, -0.0004754400000000 ] - [ -0.0000432700000000, 0.0001620800000000, -0.0000977200000000 ] - [ 0.0002373700000000, 0.0000184400000000, 0.0000948400000000 ] - [ -0.0000595600000000, 0.0000045400000000, 0.0001326500000000 ] - [ -0.0000125200000000, 0.0001620700000000, 0.0004117300000000 ] - [ -0.0001110300000000, -0.0003173900000000, 0.0001499300000000 ] - [ 0.0004308300000000, 0.0004489400000000, 0.0001352100000000 ] - [ -0.0007722500000000, -0.0003884700000000, 0.0000912600000000 ] - [ -0.0000339200000000, -0.0000430000000000, -0.0000843700000000 ] - [ -0.0000203500000000, 0.0000424300000000, 0.0000594000000000 ] - [ 0.0001399000000000, 0.0003758200000000, -0.0003502100000000 ] - [ -0.0002060900000000, -0.0005056200000000, -0.0005346700000000 ] - [ -0.0001059500000000, -0.0000329000000000, 0.0000021500000000 ] - [ 0.0000330200000000, -0.0000485400000000, 0.0000436500000000 ] - [ -0.0004144500000000, -0.0002184000000000, 0.0003886100000000 ] - [ -0.0001303500000000, -0.0000782500000000, -0.0000330200000000 ] - [ 0.0001367200000000, 0.0000984600000000, -0.0000673100000000 ] - [ 0.0002790100000000, 0.0005178600000000, 0.0004519100000000 ] - [ -0.0001162700000000, -0.0000423700000000, -0.0000078000000000 ] - [ -0.0000273900000000, 0.0000424400000000, -0.0000058000000000 ] - [ 0.0000437900000000, 0.0000544600000000, -0.0000158400000000 ] - [ 0.0155128100000000, -0.0060150700000000, -0.0008191400000000 ] - [ 0.0002436400000000, 0.0003504600000000, 0.0002350300000000 ] - [ -0.0004417200000000, -0.0005001100000000, 0.0003681200000000 ] - [ -0.0000809100000000, 0.0000807100000000, 0.0000006900000000 ] - [ 0.0000529100000000, -0.0000627200000000, -0.0000691500000000 ] - [ -0.0000780100000000, 0.0000881800000000, 0.0000181900000000 ] - [ -0.0000398600000000, -0.0000783100000000, -0.0000161600000000 ] - [ 0.0001464400000000, 0.0000585900000000, -0.0000559200000000 ] - [ -0.0002307700000000, -0.0002410000000000, 0.0000857700000000 ] - [ 0.0003193700000000, 0.0007013100000000, -0.0005214100000000 ] - [ -0.0000667800000000, -0.0000251700000000, 0.0000324900000000 ] - [ 0.0000456500000000, 0.0000517600000000, 0.0000034300000000 ] - [ -0.0003204300000000, -0.0004296900000000, -0.0004941600000000 ] - [ 0.0000307300000000, 0.0000529700000000, 0.0000938500000000 ] - [ 0.0000311900000000, 0.0000206700000000, -0.0001051800000000 ] - [ -0.0002219600000000, -0.0003393000000000, -0.0000038300000000 ] - [ 0.0164836600000000, -0.0057187500000000, 0.0013242400000000 ]- atom: 57 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000344300000000, -0.0000186900000000, -0.0000961100000000 ] - [ -0.0002269400000000, -0.0001148700000000, -0.0000582100000000 ] - [ -0.0000406700000000, 0.0000693200000000, 0.0000487000000000 ] - [ 0.0005544000000000, -0.0004195000000000, 0.0002500800000000 ] - [ -0.0006739200000000, 0.0029512000000000, -0.0030500300000000 ] - [ -0.0001849100000000, -0.0000635200000000, 0.0000595500000000 ] - [ 0.0000153100000000, -0.0000313900000000, 0.0000138400000000 ] - [ 0.0000792400000000, 0.0000331300000000, -0.0000197000000000 ] - [ 0.0001354600000000, -0.0000374900000000, 0.0001466500000000 ] - [ -0.0000083200000000, 0.0000322000000000, 0.0000553100000000 ] - [ -0.0000144900000000, 0.0000381900000000, 0.0001074800000000 ] - [ -0.0000799300000000, -0.0004260300000000, 0.0001901800000000 ] - [ -0.0002723400000000, 0.0001991500000000, 0.0000442100000000 ] - [ -0.0027994000000000, -0.0016710200000000, 0.0043262000000000 ] - [ 0.0001469500000000, 0.0000339900000000, -0.0000212300000000 ] - [ 0.0001506200000000, -0.0000622500000000, 0.0000475200000000 ] - [ -0.0009074700000000, 0.0034869400000000, 0.0026962800000000 ] - [ -0.0001384100000000, -0.0000605800000000, 0.0000517900000000 ] - [ -0.0000065000000000, 0.0000055100000000, 0.0000088700000000 ] - [ 0.0000595200000000, 0.0000060800000000, -0.0000389400000000 ] - [ 0.0000307800000000, -0.0000049600000000, -0.0000779500000000 ] - [ 0.0001183200000000, 0.0000490600000000, 0.0002015700000000 ] - [ 0.0003165200000000, -0.0001591100000000, -0.0000455600000000 ] - [ -0.0001130500000000, -0.0000141100000000, -0.0000833100000000 ] - [ -0.0000386100000000, 0.0002154600000000, 0.0000167000000000 ] - [ -0.0041998600000000, -0.0015569800000000, -0.0045756400000000 ] - [ -0.0000445800000000, 0.0000075500000000, -0.0000837800000000 ] - [ -0.0000150200000000, -0.0000562700000000, 0.0000224400000000 ] - [ -0.0002653600000000, 0.0003235900000000, -0.0001452700000000 ] - [ 0.0001296800000000, -0.0005570000000000, -0.0004336300000000 ] - [ 0.0000621700000000, 0.0001328500000000, -0.0000595300000000 ] - [ 0.0000209700000000, -0.0001800800000000, 0.0000050300000000 ] - [ 0.0000241200000000, 0.0000111200000000, 0.0002191900000000 ] - [ -0.0011362000000000, 0.0000663600000000, 0.0006315200000000 ] - [ 0.0000535500000000, -0.0000013200000000, -0.0001085500000000 ] - [ 0.0000863000000000, 0.0000000900000000, -0.0000081900000000 ] - [ 0.0000987000000000, 0.0001107400000000, -0.0002277600000000 ] - [ 0.0003141300000000, -0.0000074400000000, 0.0001094600000000 ] - [ -0.0002282300000000, -0.0005195000000000, -0.0003102600000000 ] - [ -0.0001277300000000, -0.0000884400000000, -0.0002040700000000 ] - [ 0.0003672200000000, 0.0002221100000000, 0.0005726800000000 ] - [ -0.0002040000000000, 0.0000670800000000, 0.0000118000000000 ] - [ 0.0001286700000000, -0.0000417000000000, -0.0000078400000000 ] - [ 0.0001943900000000, -0.0000419100000000, -0.0001207800000000 ] - [ -0.0003008600000000, 0.0002541900000000, -0.0002231500000000 ] - [ -0.0000430000000000, -0.0026451700000000, -0.0000281900000000 ] - [ 0.0000224300000000, -0.0000507000000000, 0.0001776100000000 ] - [ 0.0000003100000000, 0.0000440700000000, -0.0002022100000000 ] - [ -0.0000121800000000, 0.0000539600000000, -0.0001283400000000 ] - [ -0.0001171700000000, 0.0001441500000000, 0.0002063300000000 ] - [ -0.0001589600000000, 0.0001590100000000, 0.0004083700000000 ] - [ 0.0000455000000000, 0.0000250300000000, -0.0001840800000000 ] - [ 0.0000751700000000, 0.0000587900000000, 0.0001971600000000 ] - [ -0.0006455400000000, 0.0001095100000000, -0.0007509900000000 ] - [ -0.0001578000000000, -0.0000392000000000, -0.0000079400000000 ] - [ -0.0000455400000000, 0.0000352900000000, -0.0000315600000000 ] - [ 0.0593001000000000, 0.0051838000000000, -0.0049836800000000 ] - [ -0.0001703500000000, 0.0001714300000000, -0.0001591300000000 ] - [ 0.0000591000000000, -0.0001003800000000, -0.0001713200000000 ] - [ 0.0000507400000000, 0.0000860700000000, 0.0001586400000000 ] - [ -0.0004466400000000, 0.0001456500000000, -0.0002618400000000 ] - [ 0.0001413300000000, -0.0000727900000000, -0.0001210700000000 ] - [ -0.0000293600000000, 0.0001590400000000, 0.0000395900000000 ] - [ -0.0001683600000000, -0.0000283900000000, 0.0001718500000000 ] - [ 0.0000516400000000, -0.0000397800000000, -0.0001950200000000 ] - [ 0.0001723600000000, 0.0001164400000000, 0.0001964400000000 ] - [ -0.0000703500000000, -0.0000825500000000, 0.0002003600000000 ] - [ 0.0000046300000000, -0.0000032800000000, -0.0002297100000000 ] - [ -0.0000226000000000, 0.0000055900000000, -0.0001587500000000 ] - [ -0.0001197400000000, -0.0000139800000000, -0.0000184800000000 ] - [ -0.0006298900000000, 0.0003072500000000, 0.0002701300000000 ] - [ 0.0001114100000000, -0.0000022800000000, -0.0002494500000000 ] - [ 0.0001915800000000, 0.0000069300000000, -0.0000092400000000 ] - [ 0.0000942100000000, -0.0001309500000000, 0.0000142100000000 ] - [ -0.0004141000000000, 0.0005355800000000, 0.0006271600000000 ] - [ -0.0001620900000000, -0.0001192500000000, 0.0000107000000000 ] - [ 0.0000896900000000, -0.0000164000000000, -0.0000611700000000 ] - [ -0.0001114400000000, -0.0000093100000000, 0.0003576100000000 ] - [ 0.0000301900000000, 0.0001087800000000, 0.0003412500000000 ] - [ 0.0000318700000000, -0.0001272500000000, -0.0002223400000000 ] - [ -0.0064436900000000, -0.0055368100000000, -0.0047812100000000 ] - [ 0.0003476100000000, -0.0002417700000000, -0.0000694100000000 ] - [ -0.0000557200000000, 0.0000718100000000, -0.0001913000000000 ] - [ -0.0000444800000000, -0.0000013200000000, 0.0003414100000000 ] - [ -0.0108567100000000, -0.0123946500000000, 0.0102578800000000 ] - [ 0.0004358800000000, -0.0000079800000000, -0.0003450900000000 ] - [ -0.0001448500000000, -0.0001058700000000, -0.0001828500000000 ] - [ -0.0001687900000000, 0.0001239600000000, 0.0001419300000000 ] - [ 0.0001093500000000, -0.0002253200000000, 0.0000209900000000 ] - [ -0.0004199300000000, -0.0002798000000000, 0.0000673400000000 ] - [ -0.0002414400000000, 0.0003475700000000, 0.0006151600000000 ] - [ -0.0000107600000000, 0.0000995200000000, -0.0000577000000000 ] - [ -0.0002523900000000, 0.0000180700000000, -0.0001144300000000 ] - [ 0.0000420000000000, -0.0000383700000000, -0.0001137200000000 ] - [ 0.0000288100000000, -0.0001311800000000, -0.0003947000000000 ] - [ 0.0001204500000000, 0.0002782200000000, -0.0001644900000000 ] - [ -0.0004070000000000, -0.0005410100000000, 0.0000074500000000 ] - [ 0.0007805300000000, 0.0004745200000000, -0.0002306600000000 ] - [ 0.0000147800000000, -0.0000440300000000, -0.0000569500000000 ] - [ 0.0000007100000000, 0.0000444500000000, 0.0000807800000000 ] - [ -0.0002621700000000, -0.0004825600000000, 0.0003871600000000 ] - [ 0.0000793000000000, 0.0006123500000000, 0.0004957200000000 ] - [ 0.0002283100000000, -0.0000740400000000, -0.0000390200000000 ] - [ 0.0000897800000000, 0.0001532900000000, -0.0000075500000000 ] - [ 0.0002040700000000, 0.0003404900000000, -0.0002462400000000 ] - [ -0.0000830400000000, -0.0000431000000000, -0.0001117000000000 ] - [ 0.0000775200000000, 0.0000208000000000, -0.0000777000000000 ] - [ -0.0000656900000000, -0.0006368500000000, -0.0003070900000000 ] - [ 0.0000333800000000, -0.0000064200000000, 0.0000112600000000 ] - [ -0.0000559000000000, 0.0000063300000000, 0.0000011600000000 ] - [ 0.0000400400000000, -0.0001050000000000, 0.0000117500000000 ] - [ -0.0158898800000000, 0.0063626500000000, 0.0008600500000000 ] - [ -0.0002820400000000, -0.0003338900000000, -0.0003672700000000 ] - [ 0.0004003900000000, 0.0004818300000000, -0.0002358600000000 ] - [ 0.0001201100000000, -0.0000598100000000, 0.0001274300000000 ] - [ -0.0000149100000000, 0.0000411400000000, -0.0000612800000000 ] - [ -0.0000315400000000, 0.0001570900000000, 0.0000167200000000 ] - [ -0.0000689000000000, -0.0001661800000000, -0.0000190000000000 ] - [ -0.0000379100000000, 0.0001830500000000, 0.0000221800000000 ] - [ 0.0003410600000000, -0.0000040300000000, -0.0000478800000000 ] - [ -0.0004158600000000, -0.0005230000000000, 0.0004625700000000 ] - [ -0.0000281700000000, -0.0001521600000000, 0.0000241100000000 ] - [ 0.0000499600000000, 0.0001229200000000, 0.0000527600000000 ] - [ 0.0004172200000000, 0.0002564100000000, 0.0004362500000000 ] - [ 0.0000059600000000, -0.0000290700000000, 0.0000861700000000 ] - [ 0.0000056300000000, -0.0000441400000000, -0.0000758400000000 ] - [ 0.0001834200000000, 0.0003552500000000, -0.0001752900000000 ] - [ -0.0158474200000000, 0.0055002100000000, -0.0010944100000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001464500000000, -0.0001401000000000, -0.0001219300000000 ] - [ -0.0003408500000000, 0.0000641500000000, 0.0001821500000000 ] - [ 0.0000267500000000, 0.0002089800000000, 0.0000343300000000 ] - [ 0.0001971500000000, 0.0009562000000000, -0.0006573100000000 ] - [ -0.0009144900000000, 0.0008330200000000, -0.0029731800000000 ] - [ 0.0002024300000000, 0.0001241300000000, -0.0000501900000000 ] - [ 0.0000220300000000, 0.0000582400000000, 0.0000628400000000 ] - [ 0.0000073500000000, 0.0000862800000000, -0.0000648500000000 ] - [ 0.0000812000000000, -0.0002042800000000, -0.0000301600000000 ] - [ 0.0000348600000000, 0.0000807000000000, 0.0001154500000000 ] - [ -0.0000294900000000, 0.0003212800000000, 0.0000098600000000 ] - [ 0.0008604800000000, 0.0007336700000000, -0.0008259500000000 ] - [ -0.0002235200000000, 0.0002510400000000, 0.0000096200000000 ] - [ -0.0009763500000000, -0.0012549100000000, -0.0001430600000000 ] - [ 0.0001898000000000, 0.0000528500000000, -0.0000810400000000 ] - [ 0.0001293600000000, 0.0000264900000000, 0.0000781400000000 ] - [ -0.0021755700000000, 0.0028774700000000, 0.0033606200000000 ] - [ 0.0001333000000000, -0.0000083900000000, -0.0000770000000000 ] - [ -0.0000100500000000, 0.0001105500000000, 0.0000032700000000 ] - [ -0.0000547700000000, 0.0000838300000000, 0.0001198600000000 ] - [ 0.0000603700000000, 0.0000352500000000, -0.0001265600000000 ] - [ 0.0001636500000000, -0.0004862800000000, 0.0000445800000000 ] - [ -0.0000992800000000, 0.0009593800000000, 0.0009180800000000 ] - [ -0.0000792600000000, 0.0001146300000000, -0.0001208300000000 ] - [ -0.0000479800000000, 0.0001932700000000, -0.0000361600000000 ] - [ 0.0003932500000000, -0.0010485300000000, 0.0007962800000000 ] - [ 0.0000488700000000, 0.0000127600000000, 0.0000914200000000 ] - [ -0.0000346800000000, 0.0000529400000000, 0.0000279100000000 ] - [ -0.0001084400000000, 0.0003099800000000, -0.0002195900000000 ] - [ 0.0002566700000000, 0.0003255000000000, 0.0010776700000000 ] - [ 0.0001587700000000, 0.0004016800000000, 0.0002071600000000 ] - [ 0.0000211000000000, -0.0000778500000000, -0.0000424400000000 ] - [ -0.0001110800000000, 0.0001828100000000, -0.0000412900000000 ] - [ 0.0000866100000000, -0.0000560300000000, -0.0002161200000000 ] - [ 0.0000863400000000, -0.0000396600000000, -0.0000213300000000 ] - [ 0.0001111600000000, 0.0000682500000000, 0.0002647600000000 ] - [ 0.0001246900000000, 0.0001264000000000, -0.0002193500000000 ] - [ -0.0001038100000000, -0.0003325900000000, 0.0000509300000000 ] - [ 0.0007216800000000, 0.0005283000000000, 0.0009693900000000 ] - [ -0.0001334500000000, 0.0001612500000000, -0.0001361500000000 ] - [ -0.0004645100000000, -0.0012195300000000, -0.0012853600000000 ] - [ -0.0001436800000000, 0.0001528900000000, -0.0000814600000000 ] - [ 0.0001422400000000, 0.0000720600000000, 0.0000038300000000 ] - [ 0.0002154000000000, 0.0001501000000000, 0.0004107300000000 ] - [ 0.0000315300000000, -0.0001792000000000, -0.0003496900000000 ] - [ 0.0027803100000000, 0.0056017600000000, 0.0005927400000000 ] - [ 0.0000437500000000, 0.0000414300000000, 0.0002341300000000 ] - [ 0.0000156300000000, 0.0000912100000000, -0.0001895000000000 ] - [ -0.0000313400000000, 0.0000371600000000, -0.0002638100000000 ] - [ -0.0000001600000000, 0.0000392500000000, 0.0003023200000000 ] - [ -0.0001850700000000, 0.0002522900000000, 0.0004315100000000 ] - [ 0.0003459000000000, -0.0003120800000000, 0.0000827700000000 ] - [ 0.0003539700000000, -0.0000680000000000, -0.0004162100000000 ] - [ 0.0000794000000000, 0.0000075600000000, -0.0000152500000000 ] - [ -0.0000618000000000, -0.0001065900000000, 0.0000002800000000 ] - [ -0.0000680200000000, 0.0001572200000000, 0.0000369800000000 ] - [ -0.0049768600000000, -0.0704730800000000, 0.0118304200000000 ] - [ 0.0000049700000000, 0.0001518300000000, -0.0002149500000000 ] - [ 0.0000655200000000, -0.0000280400000000, -0.0001654800000000 ] - [ 0.0000800600000000, 0.0001326600000000, 0.0002161100000000 ] - [ -0.0002758400000000, -0.0000516700000000, -0.0002809800000000 ] - [ 0.0000797500000000, 0.0001380500000000, -0.0001386300000000 ] - [ 0.0000007900000000, 0.0000352500000000, -0.0001137300000000 ] - [ -0.0001096800000000, -0.0000864000000000, 0.0001876700000000 ] - [ 0.0001490100000000, -0.0001733000000000, -0.0002562100000000 ] - [ -0.0000124200000000, 0.0001500700000000, 0.0002051800000000 ] - [ -0.0000035200000000, -0.0000714000000000, 0.0001528500000000 ] - [ -0.0000422700000000, 0.0001111300000000, -0.0002302800000000 ] - [ -0.0000058500000000, 0.0000264800000000, -0.0000478100000000 ] - [ -0.0000518900000000, -0.0000476200000000, 0.0000812300000000 ] - [ 0.0000856500000000, -0.0001303900000000, 0.0001155700000000 ] - [ -0.0001495300000000, 0.0003163500000000, -0.0000224100000000 ] - [ 0.0001460300000000, 0.0000711000000000, -0.0000724000000000 ] - [ 0.0002246200000000, -0.0001987500000000, 0.0000562500000000 ] - [ -0.0003794900000000, 0.0003029100000000, 0.0004340200000000 ] - [ -0.0001927000000000, 0.0004288900000000, -0.0001684800000000 ] - [ 0.0001226100000000, 0.0000938200000000, -0.0008726900000000 ] - [ -0.0000835000000000, 0.0000855700000000, 0.0008567000000000 ] - [ 0.0000207400000000, 0.0001643000000000, 0.0004050400000000 ] - [ 0.0000820200000000, 0.0001880100000000, -0.0004521300000000 ] - [ 0.0056161900000000, 0.0191519300000000, 0.0129302400000000 ] - [ 0.0000397500000000, -0.0001789200000000, -0.0001791600000000 ] - [ -0.0000902600000000, -0.0000862900000000, -0.0001989500000000 ] - [ -0.0001853200000000, -0.0003129300000000, -0.0002099800000000 ] - [ 0.0120795000000000, 0.0366976900000000, -0.0245076400000000 ] - [ 0.0001093800000000, 0.0000326500000000, 0.0001611300000000 ] - [ -0.0001794100000000, -0.0001987300000000, -0.0002412500000000 ] - [ -0.0002200500000000, -0.0000050400000000, 0.0002538600000000 ] - [ 0.0000059400000000, -0.0002683000000000, 0.0000478300000000 ] - [ 0.0004590200000000, 0.0015553700000000, 0.0000891700000000 ] - [ -0.0005428000000000, -0.0010391900000000, -0.0015445700000000 ] - [ -0.0001060700000000, -0.0000183700000000, -0.0000597500000000 ] - [ -0.0000168900000000, 0.0003717900000000, 0.0002623400000000 ] - [ -0.0002241500000000, -0.0001680100000000, -0.0005199200000000 ] - [ -0.0000344200000000, -0.0003199100000000, -0.0003028700000000 ] - [ -0.0004138500000000, -0.0010205100000000, 0.0003766600000000 ] - [ 0.0004854500000000, -0.0006575900000000, 0.0004079700000000 ] - [ -0.0005825800000000, 0.0006484300000000, 0.0001661500000000 ] - [ -0.0000389700000000, -0.0000662700000000, -0.0000915000000000 ] - [ -0.0000511600000000, -0.0000778700000000, 0.0000324700000000 ] - [ -0.0001373300000000, -0.0004284400000000, 0.0003019400000000 ] - [ -0.0000067800000000, 0.0002129200000000, -0.0001227200000000 ] - [ -0.0000705100000000, -0.0002068700000000, -0.0002666400000000 ] - [ 0.0000460900000000, -0.0002656300000000, 0.0001740900000000 ] - [ -0.0001610400000000, 0.0009053500000000, -0.0001729200000000 ] - [ -0.0001143600000000, -0.0002363100000000, -0.0000406700000000 ] - [ 0.0002082100000000, -0.0001785700000000, -0.0001228700000000 ] - [ 0.0003578800000000, 0.0001434600000000, -0.0002803600000000 ] - [ -0.0000558600000000, 0.0001200400000000, 0.0000151700000000 ] - [ -0.0000469000000000, -0.0000932000000000, -0.0000614700000000 ] - [ 0.0000478600000000, -0.0003033400000000, 0.0000436200000000 ] - [ -0.0049076600000000, 0.0025772100000000, 0.0004144800000000 ] - [ -0.0003688500000000, -0.0004089600000000, -0.0005230200000000 ] - [ -0.0000633700000000, 0.0002459100000000, -0.0000329000000000 ] - [ -0.0000703200000000, -0.0001283400000000, 0.0002858900000000 ] - [ 0.0000053900000000, -0.0003506500000000, -0.0002565200000000 ] - [ -0.0000701200000000, 0.0002910300000000, 0.0000101000000000 ] - [ -0.0000468300000000, -0.0000841100000000, 0.0000012800000000 ] - [ -0.0000212200000000, -0.0004753200000000, 0.0000988500000000 ] - [ -0.0000988000000000, -0.0003858300000000, 0.0001329000000000 ] - [ 0.0003295700000000, 0.0002680800000000, 0.0001037400000000 ] - [ -0.0000554400000000, -0.0003172600000000, 0.0000361300000000 ] - [ 0.0000072600000000, -0.0001112100000000, -0.0000349000000000 ] - [ 0.0001708400000000, 0.0006653500000000, 0.0000265900000000 ] - [ 0.0000762500000000, 0.0000500400000000, 0.0000919000000000 ] - [ 0.0000725300000000, -0.0001293500000000, -0.0001217600000000 ] - [ -0.0004784300000000, -0.0010830500000000, 0.0002289800000000 ] - [ -0.0070174800000000, 0.0031211400000000, -0.0000197800000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000955300000000, 0.0001429800000000, 0.0001732500000000 ] - [ 0.0001006800000000, -0.0000669600000000, -0.0002338600000000 ] - [ 0.0002145200000000, -0.0002042900000000, -0.0000859700000000 ] - [ 0.0000396100000000, -0.0009490600000000, 0.0007017800000000 ] - [ 0.0008812800000000, -0.0008992300000000, 0.0029695400000000 ] - [ -0.0002568000000000, -0.0000538700000000, 0.0000787100000000 ] - [ 0.0000309500000000, -0.0001265500000000, -0.0000338600000000 ] - [ 0.0000450900000000, -0.0000182200000000, 0.0000375400000000 ] - [ 0.0000313100000000, 0.0001778100000000, -0.0000067900000000 ] - [ 0.0000774400000000, -0.0000537400000000, -0.0000784900000000 ] - [ -0.0000836800000000, -0.0003463200000000, 0.0000276800000000 ] - [ -0.0009575700000000, -0.0007017200000000, 0.0007763900000000 ] - [ -0.0000740300000000, -0.0001002700000000, 0.0000557200000000 ] - [ 0.0006796800000000, 0.0011082200000000, 0.0000734900000000 ] - [ 0.0001057900000000, 0.0000949700000000, 0.0000158700000000 ] - [ 0.0001665200000000, -0.0001749600000000, -0.0000117500000000 ] - [ 0.0022279600000000, -0.0029048000000000, -0.0034403100000000 ] - [ -0.0001223700000000, 0.0000266600000000, 0.0001206500000000 ] - [ -0.0000020600000000, -0.0001264200000000, 0.0000396300000000 ] - [ 0.0000423900000000, -0.0000669600000000, -0.0001621200000000 ] - [ 0.0001115600000000, 0.0000560400000000, -0.0000387400000000 ] - [ 0.0000081500000000, 0.0003954100000000, 0.0001220300000000 ] - [ -0.0000776800000000, -0.0008561900000000, -0.0007435900000000 ] - [ -0.0000925300000000, -0.0002043200000000, -0.0000445000000000 ] - [ 0.0000968300000000, -0.0000789400000000, 0.0000904200000000 ] - [ -0.0003335800000000, 0.0009440700000000, -0.0008397700000000 ] - [ -0.0000982100000000, 0.0000989200000000, -0.0001440900000000 ] - [ -0.0000151000000000, -0.0001643400000000, 0.0000264800000000 ] - [ 0.0000617400000000, 0.0001025000000000, 0.0002252200000000 ] - [ -0.0002991600000000, -0.0007298200000000, -0.0010740100000000 ] - [ -0.0001120200000000, 0.0000109500000000, -0.0002107600000000 ] - [ 0.0000252400000000, -0.0003336800000000, 0.0000481200000000 ] - [ -0.0000464800000000, -0.0001987100000000, 0.0002171100000000 ] - [ -0.0002468700000000, 0.0000728200000000, 0.0000438400000000 ] - [ 0.0000721700000000, 0.0000223900000000, -0.0001549700000000 ] - [ 0.0000473300000000, -0.0000505000000000, -0.0000901400000000 ] - [ 0.0001557000000000, -0.0000105500000000, -0.0001132600000000 ] - [ 0.0003848600000000, 0.0002172700000000, 0.0002835900000000 ] - [ -0.0009896500000000, -0.0004097500000000, -0.0006273300000000 ] - [ -0.0001476300000000, -0.0002759800000000, -0.0001972600000000 ] - [ 0.0001902300000000, 0.0011279000000000, 0.0013035900000000 ] - [ -0.0001321500000000, -0.0000607700000000, 0.0000819300000000 ] - [ 0.0001334500000000, -0.0001629700000000, -0.0000039200000000 ] - [ 0.0000603800000000, -0.0000581400000000, -0.0004079900000000 ] - [ -0.0000458400000000, 0.0001037600000000, -0.0000505900000000 ] - [ -0.0028436400000000, -0.0056361700000000, -0.0001945300000000 ] - [ -0.0000303900000000, -0.0001195000000000, 0.0001674500000000 ] - [ -0.0000022500000000, -0.0000130700000000, -0.0002108500000000 ] - [ -0.0000956600000000, 0.0000156200000000, -0.0000488200000000 ] - [ -0.0001270500000000, -0.0000924400000000, 0.0000102100000000 ] - [ 0.0003107600000000, -0.0001978500000000, -0.0001178600000000 ] - [ -0.0002173900000000, 0.0002582200000000, -0.0003931500000000 ] - [ -0.0002036500000000, -0.0000424900000000, 0.0003943400000000 ] - [ 0.0000733800000000, 0.0001060300000000, 0.0000379800000000 ] - [ -0.0000941700000000, -0.0000096200000000, 0.0000275800000000 ] - [ -0.0000886500000000, -0.0000405400000000, -0.0000629700000000 ] - [ 0.0056358200000000, 0.0713996000000000, -0.0119199700000000 ] - [ -0.0001187100000000, 0.0000662400000000, -0.0001256400000000 ] - [ 0.0000475100000000, -0.0001877500000000, -0.0001748200000000 ] - [ 0.0000328200000000, 0.0000836300000000, 0.0001254200000000 ] - [ 0.0004777100000000, 0.0001706700000000, 0.0005026400000000 ] - [ 0.0001238000000000, -0.0002568700000000, -0.0000846200000000 ] - [ -0.0002032700000000, 0.0000847600000000, -0.0001101100000000 ] - [ -0.0000932800000000, -0.0000329600000000, 0.0000356200000000 ] - [ -0.0000875400000000, 0.0000209600000000, -0.0001489700000000 ] - [ 0.0000748700000000, 0.0000052600000000, 0.0002006200000000 ] - [ -0.0000575000000000, -0.0000813200000000, 0.0002522800000000 ] - [ -0.0000188600000000, 0.0000416100000000, -0.0001741500000000 ] - [ -0.0000609500000000, -0.0000636300000000, -0.0001777100000000 ] - [ -0.0000145100000000, 0.0000858800000000, 0.0001447300000000 ] - [ -0.0000166500000000, 0.0000932600000000, 0.0001094800000000 ] - [ 0.0002192100000000, -0.0002789700000000, -0.0002078200000000 ] - [ 0.0001765100000000, 0.0000135000000000, 0.0000230600000000 ] - [ 0.0000981300000000, 0.0001154300000000, -0.0000066300000000 ] - [ 0.0000564400000000, -0.0002223500000000, -0.0003841000000000 ] - [ -0.0001307600000000, -0.0005109200000000, 0.0001184900000000 ] - [ -0.0001767000000000, 0.0000413600000000, 0.0003304500000000 ] - [ 0.0000266100000000, -0.0002191700000000, -0.0003159600000000 ] - [ 0.0000342800000000, -0.0000298800000000, 0.0001365000000000 ] - [ -0.0000269300000000, -0.0003211300000000, -0.0000895200000000 ] - [ -0.0057069200000000, -0.0193353100000000, -0.0130682800000000 ] - [ 0.0000983100000000, 0.0000008700000000, -0.0002390200000000 ] - [ -0.0000469400000000, 0.0002626900000000, -0.0002197600000000 ] - [ 0.0000482500000000, 0.0001364300000000, 0.0006251900000000 ] - [ -0.0122159200000000, -0.0376513500000000, 0.0257978200000000 ] - [ 0.0002184900000000, 0.0001253400000000, -0.0004793100000000 ] - [ -0.0001485000000000, 0.0000386900000000, -0.0000764400000000 ] - [ -0.0001063300000000, 0.0001663300000000, 0.0000615600000000 ] - [ 0.0000489000000000, 0.0000049600000000, -0.0002053300000000 ] - [ -0.0004043900000000, -0.0012938100000000, 0.0000602000000000 ] - [ 0.0004824500000000, 0.0007665700000000, 0.0016827500000000 ] - [ 0.0000522900000000, 0.0002810100000000, -0.0000967600000000 ] - [ 0.0000012300000000, -0.0003376200000000, -0.0002801900000000 ] - [ 0.0002061400000000, 0.0001354500000000, 0.0005390300000000 ] - [ 0.0000518300000000, 0.0003518300000000, 0.0003228300000000 ] - [ 0.0004325500000000, 0.0009806100000000, -0.0003908300000000 ] - [ -0.0004705800000000, 0.0005623000000000, -0.0002679300000000 ] - [ 0.0006037300000000, -0.0005663200000000, -0.0003063300000000 ] - [ 0.0000191400000000, -0.0000200600000000, -0.0000496100000000 ] - [ 0.0000315600000000, 0.0001653200000000, 0.0001077300000000 ] - [ 0.0000142700000000, 0.0003201200000000, -0.0002620900000000 ] - [ -0.0001181500000000, -0.0001095600000000, 0.0000846900000000 ] - [ 0.0001924500000000, 0.0001003100000000, 0.0002291300000000 ] - [ 0.0000772800000000, 0.0003724600000000, -0.0001366100000000 ] - [ -0.0000482100000000, -0.0007831700000000, 0.0003171700000000 ] - [ -0.0000994700000000, 0.0001147000000000, -0.0001044700000000 ] - [ 0.0000047500000000, 0.0002982000000000, -0.0000215400000000 ] - [ -0.0001420800000000, -0.0002590900000000, 0.0004238700000000 ] - [ -0.0000274800000000, -0.0001680800000000, -0.0000119000000000 ] - [ -0.0000366400000000, 0.0001420900000000, 0.0000570100000000 ] - [ 0.0000349600000000, 0.0002526200000000, -0.0000483600000000 ] - [ 0.0048998700000000, -0.0025051100000000, -0.0004027500000000 ] - [ 0.0003319400000000, 0.0004252700000000, 0.0003917700000000 ] - [ 0.0000241400000000, -0.0002670900000000, 0.0001640100000000 ] - [ 0.0001075700000000, 0.0001481200000000, -0.0001545500000000 ] - [ 0.0000324500000000, 0.0003287100000000, 0.0001249900000000 ] - [ -0.0000399200000000, -0.0000464000000000, 0.0000244500000000 ] - [ -0.0000627200000000, -0.0001608100000000, -0.0000365900000000 ] - [ 0.0001310200000000, 0.0007175500000000, -0.0001322500000000 ] - [ 0.0002060300000000, 0.0001399100000000, -0.0000970100000000 ] - [ -0.0004270100000000, -0.0000855100000000, -0.0001607300000000 ] - [ -0.0000399800000000, 0.0001399200000000, 0.0000206400000000 ] - [ 0.0000880700000000, 0.0002850800000000, 0.0000929900000000 ] - [ -0.0000747200000000, -0.0008377500000000, -0.0000820200000000 ] - [ -0.0000396700000000, -0.0000250800000000, 0.0000875100000000 ] - [ -0.0000361300000000, 0.0001059800000000, -0.0000588400000000 ] - [ 0.0004455400000000, 0.0011110900000000, -0.0004123700000000 ] - [ 0.0069652700000000, -0.0030884500000000, 0.0001994000000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000905500000000, -0.0000069600000000, 0.0004694800000000 ] - [ -0.0004014000000000, 0.0002725100000000, 0.0003246700000000 ] - [ 0.0001110500000000, 0.0000441100000000, -0.0000910900000000 ] - [ 0.0003470300000000, -0.0008050200000000, 0.0001308600000000 ] - [ 0.0017440300000000, -0.0049795200000000, 0.0028327600000000 ] - [ 0.0000051000000000, 0.0000608500000000, -0.0002872600000000 ] - [ 0.0000634700000000, 0.0000053500000000, 0.0001586000000000 ] - [ -0.0000606900000000, -0.0001025100000000, 0.0002484500000000 ] - [ 0.0000768200000000, -0.0000150200000000, 0.0003898100000000 ] - [ 0.0000504900000000, 0.0001869000000000, 0.0001804500000000 ] - [ -0.0000601400000000, 0.0000180500000000, -0.0000260500000000 ] - [ -0.0007567800000000, -0.0006363800000000, 0.0002050800000000 ] - [ -0.0003042800000000, 0.0003113000000000, -0.0002282500000000 ] - [ -0.0045706800000000, -0.0028295700000000, 0.0025207000000000 ] - [ 0.0001337400000000, -0.0001010900000000, 0.0002283400000000 ] - [ 0.0001148900000000, -0.0000738400000000, 0.0001830700000000 ] - [ -0.0018300300000000, 0.0045593600000000, 0.0016397300000000 ] - [ 0.0000119000000000, -0.0001081400000000, -0.0001630000000000 ] - [ -0.0000071200000000, -0.0000373700000000, 0.0001010000000000 ] - [ -0.0000532500000000, 0.0001387700000000, 0.0002987300000000 ] - [ 0.0001614800000000, -0.0001153200000000, 0.0002184100000000 ] - [ -0.0000437100000000, 0.0003139400000000, 0.0005982100000000 ] - [ -0.0002892000000000, 0.0009840700000000, 0.0004040100000000 ] - [ -0.0000860000000000, -0.0000482000000000, -0.0001988500000000 ] - [ 0.0001451300000000, -0.0002247500000000, -0.0001662900000000 ] - [ 0.0038351200000000, 0.0017162400000000, 0.0023825600000000 ] - [ 0.0000187000000000, 0.0001760100000000, 0.0003232600000000 ] - [ 0.0000063500000000, -0.0000229400000000, 0.0001234900000000 ] - [ 0.0001631100000000, -0.0001981200000000, 0.0002404700000000 ] - [ 0.0006408700000000, 0.0014254000000000, 0.0017932800000000 ] - [ 0.0001247300000000, 0.0003960900000000, 0.0001452700000000 ] - [ 0.0000603100000000, -0.0002798000000000, 0.0000092600000000 ] - [ -0.0001631500000000, 0.0001127200000000, 0.0000581300000000 ] - [ 0.0006379700000000, -0.0001477000000000, -0.0006737100000000 ] - [ 0.0000555600000000, -0.0000323100000000, 0.0001441800000000 ] - [ 0.0000489900000000, 0.0000462600000000, 0.0000984200000000 ] - [ 0.0001214100000000, -0.0000495700000000, 0.0000655300000000 ] - [ 0.0005485600000000, -0.0000078500000000, 0.0007840800000000 ] - [ 0.0006553200000000, 0.0007984900000000, 0.0005822000000000 ] - [ -0.0001624900000000, -0.0000555200000000, -0.0002995900000000 ] - [ 0.0004919500000000, 0.0011186900000000, 0.0026815900000000 ] - [ -0.0001155300000000, -0.0000239300000000, 0.0000100300000000 ] - [ 0.0001569000000000, -0.0000113100000000, -0.0000142100000000 ] - [ 0.0002470700000000, 0.0004689000000000, 0.0005142800000000 ] - [ -0.0000198300000000, -0.0001279300000000, -0.0006817800000000 ] - [ 0.0001260900000000, -0.0000592600000000, -0.0015531500000000 ] - [ 0.0000129900000000, -0.0000407600000000, 0.0004769900000000 ] - [ 0.0000104300000000, 0.0000209000000000, -0.0000296700000000 ] - [ -0.0000897200000000, -0.0001341200000000, 0.0000840900000000 ] - [ -0.0000321900000000, -0.0001830300000000, 0.0004106600000000 ] - [ 0.0000524400000000, -0.0003391500000000, 0.0000104300000000 ] - [ 0.0001419300000000, -0.0001546800000000, -0.0002087700000000 ] - [ 0.0000608300000000, 0.0002536700000000, -0.0002296400000000 ] - [ -0.0001333600000000, 0.0004408300000000, -0.0001435700000000 ] - [ 0.0000262500000000, -0.0000663800000000, 0.0001939600000000 ] - [ -0.0001185000000000, 0.0001248700000000, 0.0001436600000000 ] - [ 0.0053428400000000, 0.0125001500000000, -0.0527061600000000 ] - [ -0.0000469200000000, 0.0000630500000000, -0.0004167700000000 ] - [ 0.0000599000000000, -0.0001122500000000, -0.0000303900000000 ] - [ 0.0000466800000000, 0.0000626200000000, 0.0005156700000000 ] - [ 0.0000127200000000, 0.0000320400000000, -0.0003215800000000 ] - [ 0.0001150200000000, -0.0000151100000000, -0.0001517000000000 ] - [ 0.0001612400000000, -0.0001438400000000, -0.0001572200000000 ] - [ -0.0000873600000000, -0.0000739700000000, 0.0003743100000000 ] - [ 0.0000056200000000, -0.0001159600000000, -0.0002578600000000 ] - [ 0.0000620200000000, 0.0002741900000000, 0.0005160400000000 ] - [ -0.0000155200000000, -0.0000146100000000, 0.0000830400000000 ] - [ -0.0000729500000000, 0.0001667200000000, -0.0001297300000000 ] - [ -0.0000641900000000, -0.0000090500000000, -0.0000124000000000 ] - [ 0.0000658000000000, -0.0000107400000000, 0.0002166200000000 ] - [ -0.0005559000000000, 0.0001006400000000, 0.0000250300000000 ] - [ 0.0000582100000000, 0.0000171600000000, -0.0002756400000000 ] - [ 0.0001242200000000, -0.0000284000000000, 0.0003047900000000 ] - [ 0.0001625500000000, -0.0000529800000000, 0.0002676200000000 ] - [ -0.0001205000000000, 0.0002137700000000, -0.0001319700000000 ] - [ -0.0002532600000000, -0.0000621200000000, -0.0001957400000000 ] - [ -0.0002019000000000, -0.0002804600000000, 0.0006637700000000 ] - [ -0.0001267800000000, 0.0003204300000000, 0.0008570100000000 ] - [ -0.0000249900000000, 0.0001405100000000, 0.0003271200000000 ] - [ 0.0000154500000000, -0.0001810500000000, -0.0002741800000000 ] - [ 0.0026677800000000, 0.0070964000000000, 0.0128519400000000 ] - [ -0.0000792500000000, -0.0000004900000000, 0.0001816800000000 ] - [ -0.0000843700000000, 0.0000976200000000, -0.0004078200000000 ] - [ -0.0001595400000000, -0.0004382900000000, -0.0006773200000000 ] - [ -0.0078386500000000, -0.0200684500000000, 0.0245388900000000 ] - [ 0.0003026400000000, 0.0001192300000000, 0.0004130800000000 ] - [ -0.0001816700000000, -0.0001004700000000, -0.0004193500000000 ] - [ -0.0001211300000000, 0.0002202000000000, -0.0003118500000000 ] - [ 0.0001092500000000, 0.0002197900000000, -0.0003718300000000 ] - [ -0.0003804700000000, -0.0008925200000000, -0.0008424400000000 ] - [ -0.0003997500000000, -0.0012512300000000, -0.0010098000000000 ] - [ -0.0000200400000000, 0.0001474700000000, 0.0000694700000000 ] - [ -0.0000936400000000, -0.0001495800000000, -0.0006841100000000 ] - [ -0.0002824200000000, -0.0002898300000000, -0.0005930900000000 ] - [ 0.0000323200000000, -0.0000466800000000, -0.0000235000000000 ] - [ 0.0001741700000000, 0.0005633000000000, 0.0000300600000000 ] - [ 0.0000247000000000, 0.0000006600000000, 0.0018353100000000 ] - [ -0.0000353100000000, 0.0000602800000000, 0.0016205200000000 ] - [ -0.0000441400000000, -0.0000657900000000, -0.0003290800000000 ] - [ -0.0000070800000000, -0.0000084700000000, -0.0001388400000000 ] - [ 0.0001389400000000, 0.0008254400000000, -0.0007682700000000 ] - [ -0.0002921700000000, -0.0004447300000000, -0.0004642700000000 ] - [ -0.0001027300000000, -0.0003104700000000, -0.0002256600000000 ] - [ 0.0000766200000000, 0.0001602500000000, -0.0000514000000000 ] - [ 0.0006717800000000, 0.0004648300000000, -0.0004369900000000 ] - [ -0.0000972400000000, 0.0001430400000000, -0.0000803900000000 ] - [ 0.0000611900000000, -0.0000169800000000, -0.0000195700000000 ] - [ 0.0003125600000000, -0.0007928100000000, -0.0006614200000000 ] - [ -0.0000398100000000, 0.0001393500000000, -0.0004830100000000 ] - [ -0.0000234000000000, 0.0000389400000000, -0.0003412300000000 ] - [ 0.0000540600000000, 0.0000213800000000, 0.0002330600000000 ] - [ -0.0003380300000000, 0.0002726900000000, 0.0019428600000000 ] - [ -0.0003407200000000, -0.0008722500000000, -0.0004759200000000 ] - [ 0.0004353400000000, 0.0005864500000000, -0.0006401200000000 ] - [ 0.0000378800000000, 0.0001444700000000, 0.0000444100000000 ] - [ 0.0000358900000000, -0.0002339200000000, -0.0002297000000000 ] - [ 0.0000154700000000, 0.0000733100000000, -0.0005389900000000 ] - [ -0.0001877200000000, -0.0002007100000000, -0.0004942700000000 ] - [ -0.0000011900000000, 0.0000245500000000, 0.0004336800000000 ] - [ 0.0000643400000000, -0.0001583700000000, 0.0005405800000000 ] - [ -0.0004798900000000, 0.0010635800000000, -0.0005084000000000 ] - [ -0.0000328000000000, -0.0000658400000000, -0.0000322700000000 ] - [ -0.0000026400000000, -0.0002615400000000, 0.0002031200000000 ] - [ -0.0004884800000000, -0.0005080100000000, -0.0009096500000000 ] - [ 0.0000309500000000, 0.0000942300000000, -0.0003522300000000 ] - [ 0.0000414000000000, -0.0000723500000000, -0.0003021300000000 ] - [ -0.0000812400000000, -0.0000638700000000, 0.0000705400000000 ] - [ 0.0004658100000000, -0.0000307800000000, 0.0023126600000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0001513000000000, 0.0000100700000000, -0.0004176400000000 ] - [ 0.0001606300000000, -0.0002760300000000, -0.0003760800000000 ] - [ 0.0001309600000000, -0.0000403500000000, 0.0000389000000000 ] - [ -0.0001094100000000, 0.0008147800000000, -0.0000822500000000 ] - [ -0.0017632400000000, 0.0048584600000000, -0.0028455900000000 ] - [ -0.0000556200000000, 0.0000084000000000, 0.0003138500000000 ] - [ -0.0000106600000000, -0.0000741500000000, -0.0001300800000000 ] - [ 0.0001131600000000, 0.0001720900000000, -0.0002764400000000 ] - [ 0.0000362000000000, -0.0000111600000000, -0.0004260800000000 ] - [ 0.0000618900000000, -0.0001607500000000, -0.0001433900000000 ] - [ -0.0000527500000000, -0.0000432200000000, 0.0000624700000000 ] - [ 0.0006583700000000, 0.0006722700000000, -0.0002471200000000 ] - [ 0.0000082000000000, -0.0001628000000000, 0.0002924500000000 ] - [ 0.0042141900000000, 0.0026636500000000, -0.0025737300000000 ] - [ 0.0001630700000000, 0.0002496400000000, -0.0002934400000000 ] - [ 0.0001813200000000, -0.0000749000000000, -0.0001171900000000 ] - [ 0.0018684000000000, -0.0045990700000000, -0.0016790200000000 ] - [ 0.0000012300000000, 0.0001245700000000, 0.0002060100000000 ] - [ -0.0000050900000000, 0.0000211600000000, -0.0000576800000000 ] - [ 0.0000407700000000, -0.0001209100000000, -0.0003414300000000 ] - [ 0.0000111400000000, 0.0002056100000000, -0.0003827100000000 ] - [ 0.0002167700000000, -0.0004079300000000, -0.0004316400000000 ] - [ 0.0001143100000000, -0.0008838100000000, -0.0002392400000000 ] - [ -0.0000855800000000, -0.0000418400000000, 0.0000335700000000 ] - [ -0.0000950600000000, 0.0003354000000000, 0.0002203100000000 ] - [ -0.0038174500000000, -0.0018307400000000, -0.0024371300000000 ] - [ -0.0000673100000000, -0.0000636400000000, -0.0003766300000000 ] - [ -0.0000558600000000, -0.0000884400000000, -0.0000691100000000 ] - [ -0.0002090800000000, 0.0006084100000000, -0.0002342700000000 ] - [ -0.0006833100000000, -0.0018300300000000, -0.0017858000000000 ] - [ -0.0000781600000000, 0.0000163600000000, -0.0001514100000000 ] - [ -0.0000144200000000, -0.0001311500000000, -0.0000034300000000 ] - [ 0.0000040600000000, -0.0001291400000000, 0.0001168000000000 ] - [ -0.0007940900000000, 0.0001655700000000, 0.0004994300000000 ] - [ 0.0001029000000000, 0.0000147900000000, -0.0003200700000000 ] - [ 0.0001093800000000, -0.0000286800000000, 0.0000780100000000 ] - [ 0.0001589700000000, 0.0001642700000000, -0.0003974400000000 ] - [ -0.0002700800000000, -0.0001101300000000, -0.0004506100000000 ] - [ -0.0009252500000000, -0.0006764300000000, -0.0002498700000000 ] - [ -0.0001178900000000, -0.0000587400000000, -0.0000328000000000 ] - [ -0.0007677700000000, -0.0012079800000000, -0.0027344700000000 ] - [ -0.0001600300000000, 0.0001157900000000, -0.0000099600000000 ] - [ 0.0001189300000000, -0.0000800400000000, 0.0000145400000000 ] - [ 0.0000295300000000, -0.0003739000000000, -0.0005115700000000 ] - [ 0.0000060600000000, 0.0000496200000000, 0.0002801200000000 ] - [ -0.0001329500000000, 0.0001473800000000, 0.0019481800000000 ] - [ 0.0000007200000000, -0.0000369200000000, -0.0000756600000000 ] - [ 0.0000028500000000, 0.0000575600000000, -0.0003706800000000 ] - [ -0.0000379700000000, 0.0001870500000000, -0.0003954600000000 ] - [ -0.0000950900000000, 0.0001298700000000, -0.0000984500000000 ] - [ 0.0000750800000000, 0.0003907900000000, 0.0003002500000000 ] - [ -0.0000147700000000, 0.0001020500000000, -0.0001032400000000 ] - [ 0.0000936600000000, -0.0003684000000000, 0.0002015100000000 ] - [ 0.0002868000000000, -0.0003249700000000, 0.0001690200000000 ] - [ -0.0001827800000000, -0.0000497000000000, -0.0001660800000000 ] - [ -0.0000385200000000, -0.0000088000000000, -0.0001700400000000 ] - [ -0.0048788800000000, -0.0112460900000000, 0.0531771100000000 ] - [ -0.0000657100000000, 0.0001535900000000, 0.0000755400000000 ] - [ 0.0000532400000000, -0.0001041100000000, -0.0003097600000000 ] - [ 0.0000666500000000, 0.0001544500000000, -0.0001746600000000 ] - [ 0.0001903800000000, 0.0000881800000000, 0.0005460100000000 ] - [ 0.0000876500000000, -0.0001037200000000, -0.0000715600000000 ] - [ -0.0003644600000000, 0.0002646800000000, -0.0000651000000000 ] - [ -0.0001154900000000, -0.0000457000000000, -0.0001508400000000 ] - [ 0.0000556600000000, -0.0000373800000000, -0.0001476800000000 ] - [ -0.0000012700000000, -0.0001208100000000, -0.0001092600000000 ] - [ -0.0000455900000000, -0.0001380800000000, 0.0003220400000000 ] - [ 0.0000118700000000, -0.0000146500000000, -0.0002763300000000 ] - [ -0.0000024100000000, -0.0000291100000000, -0.0002133300000000 ] - [ -0.0001325800000000, 0.0000484500000000, 0.0000094900000000 ] - [ 0.0006238100000000, -0.0001378800000000, 0.0001994900000000 ] - [ 0.0000099600000000, 0.0000204500000000, 0.0000494500000000 ] - [ 0.0001986200000000, 0.0001118500000000, -0.0003538100000000 ] - [ 0.0001604100000000, -0.0000307400000000, -0.0002178600000000 ] - [ -0.0002015600000000, -0.0001314200000000, 0.0001795400000000 ] - [ -0.0000694100000000, -0.0000212000000000, 0.0001464300000000 ] - [ 0.0001472700000000, 0.0004153400000000, -0.0012062800000000 ] - [ 0.0000688900000000, -0.0004536700000000, -0.0003138100000000 ] - [ 0.0000802400000000, -0.0000059100000000, 0.0002129000000000 ] - [ 0.0000401200000000, 0.0000473100000000, -0.0002660700000000 ] - [ -0.0027793300000000, -0.0075522900000000, -0.0130047200000000 ] - [ 0.0002150000000000, -0.0001757900000000, -0.0006000900000000 ] - [ -0.0000526300000000, 0.0000786900000000, -0.0000113400000000 ] - [ 0.0000212600000000, 0.0002582000000000, 0.0010924400000000 ] - [ 0.0078471800000000, 0.0191163500000000, -0.0237203300000000 ] - [ 0.0000233200000000, 0.0000411600000000, -0.0007276500000000 ] - [ -0.0001459200000000, -0.0000595200000000, 0.0001021700000000 ] - [ -0.0002064000000000, -0.0000614500000000, 0.0006284700000000 ] - [ -0.0000541000000000, -0.0004811900000000, 0.0002155500000000 ] - [ 0.0004389700000000, 0.0011687400000000, 0.0009892600000000 ] - [ 0.0003407000000000, 0.0009777900000000, 0.0011635000000000 ] - [ -0.0000344000000000, 0.0001142800000000, -0.0002256300000000 ] - [ 0.0000779100000000, 0.0001842200000000, 0.0006634300000000 ] - [ 0.0002636900000000, 0.0002565800000000, 0.0006120600000000 ] - [ -0.0000159200000000, 0.0000794000000000, 0.0000459400000000 ] - [ -0.0001573200000000, -0.0005961400000000, -0.0000545800000000 ] - [ -0.0000011600000000, -0.0000868600000000, -0.0016906100000000 ] - [ 0.0000527500000000, 0.0000308700000000, -0.0017564600000000 ] - [ 0.0000246000000000, -0.0000214000000000, 0.0001880000000000 ] - [ -0.0000125900000000, 0.0000955300000000, 0.0002790100000000 ] - [ -0.0002598200000000, -0.0009299000000000, 0.0008012000000000 ] - [ 0.0001667300000000, 0.0005521800000000, 0.0004283200000000 ] - [ 0.0002257500000000, 0.0002036500000000, 0.0001895300000000 ] - [ 0.0000464000000000, -0.0000548900000000, 0.0000873900000000 ] - [ -0.0008849300000000, -0.0003424500000000, 0.0005810400000000 ] - [ -0.0001163100000000, -0.0002637200000000, -0.0000645400000000 ] - [ 0.0001526500000000, 0.0001363500000000, -0.0001254000000000 ] - [ -0.0000982600000000, 0.0006705400000000, 0.0008041600000000 ] - [ -0.0000433500000000, -0.0001875200000000, 0.0004861400000000 ] - [ -0.0000597700000000, 0.0000099400000000, 0.0003363300000000 ] - [ 0.0000293000000000, -0.0000702800000000, -0.0002372000000000 ] - [ 0.0004777800000000, -0.0002556200000000, -0.0019489100000000 ] - [ 0.0003041900000000, 0.0008903900000000, 0.0003471600000000 ] - [ -0.0004736600000000, -0.0006037500000000, 0.0007667600000000 ] - [ 0.0000000600000000, -0.0001240100000000, 0.0000854500000000 ] - [ 0.0000021100000000, 0.0002129600000000, 0.0000997300000000 ] - [ -0.0001250300000000, 0.0001718100000000, 0.0005730600000000 ] - [ 0.0000782000000000, -0.0000439500000000, 0.0004587000000000 ] - [ 0.0001104000000000, 0.0002196100000000, -0.0004683800000000 ] - [ 0.0000457600000000, -0.0000866300000000, -0.0005051500000000 ] - [ 0.0003859800000000, -0.0008866100000000, 0.0004516800000000 ] - [ -0.0000624900000000, -0.0001099700000000, 0.0000886500000000 ] - [ 0.0000976200000000, 0.0004349500000000, -0.0001462900000000 ] - [ 0.0005822200000000, 0.0003307600000000, 0.0008506800000000 ] - [ 0.0000059100000000, -0.0000700300000000, 0.0005318100000000 ] - [ -0.0000049400000000, 0.0000489500000000, 0.0001213200000000 ] - [ 0.0000433900000000, 0.0000831500000000, -0.0002503000000000 ] - [ -0.0005670100000000, 0.0000222700000000, -0.0021435200000000 ]- atom: 61 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000860700000000, 0.0000091800000000, 0.0000276000000000 ] - [ -0.0001747500000000, -0.0000491700000000, 0.0000021000000000 ] - [ -0.0003770900000000, -0.0002452100000000, -0.0002243000000000 ] - [ 0.0009660200000000, 0.0001437100000000, -0.0002626100000000 ] - [ 0.0001926200000000, -0.0000032700000000, -0.0000231300000000 ] - [ -0.0001205600000000, -0.0001087200000000, -0.0000371500000000 ] - [ 0.0000392700000000, 0.0000044600000000, 0.0000887100000000 ] - [ 0.0004147000000000, 0.0004853300000000, -0.0004289000000000 ] - [ 0.0000709900000000, -0.0000122100000000, 0.0000039000000000 ] - [ 0.0000944300000000, 0.0000446600000000, 0.0000807500000000 ] - [ -0.0000177100000000, 0.0003204400000000, 0.0001455600000000 ] - [ 0.0016748300000000, 0.0002059000000000, 0.0002348300000000 ] - [ -0.0001420200000000, 0.0000544600000000, 0.0000268900000000 ] - [ -0.0000522300000000, -0.0006606200000000, 0.0004354100000000 ] - [ 0.0003453100000000, 0.0002080100000000, 0.0000962100000000 ] - [ 0.0000725800000000, -0.0000568500000000, 0.0001171500000000 ] - [ 0.0003084600000000, -0.0000842200000000, 0.0000957700000000 ] - [ -0.0001029600000000, -0.0000688500000000, 0.0001333700000000 ] - [ -0.0000544600000000, -0.0006178600000000, 0.0005084000000000 ] - [ 0.0000324400000000, 0.0000029300000000, -0.0000315600000000 ] - [ 0.0000819600000000, 0.0000132300000000, -0.0000601500000000 ] - [ 0.0001902200000000, -0.0000597600000000, 0.0000327100000000 ] - [ 0.0002691300000000, 0.0004382100000000, 0.0004461200000000 ] - [ -0.0002495500000000, -0.0005200000000000, -0.0000599200000000 ] - [ 0.0000933800000000, 0.0001126700000000, -0.0000443700000000 ] - [ 0.0014861500000000, -0.0011296100000000, -0.0003187600000000 ] - [ -0.0000022400000000, 0.0000593200000000, -0.0000389300000000 ] - [ -0.0000243600000000, -0.0000614200000000, 0.0000346400000000 ] - [ -0.0000558500000000, 0.0003321800000000, -0.0000916000000000 ] - [ 0.0000400200000000, -0.0005500600000000, -0.0004079200000000 ] - [ 0.0001273000000000, 0.0001621100000000, 0.0000028800000000 ] - [ 0.0008936000000000, -0.0002209600000000, 0.0001302900000000 ] - [ 0.0000004900000000, -0.0000275000000000, 0.0001036600000000 ] - [ 0.0015315200000000, 0.0038247300000000, 0.0005826400000000 ] - [ 0.0000481300000000, 0.0000133500000000, -0.0000945300000000 ] - [ 0.0001129100000000, 0.0000507600000000, 0.0000384900000000 ] - [ 0.0001486700000000, 0.0000497300000000, -0.0001632900000000 ] - [ 0.0001107000000000, -0.0004613900000000, -0.0000695700000000 ] - [ 0.0003259500000000, 0.0001900100000000, -0.0001984800000000 ] - [ -0.0002662200000000, -0.0001144800000000, -0.0002464400000000 ] - [ 0.0000873100000000, -0.0001971600000000, 0.0000281200000000 ] - [ -0.0001618100000000, 0.0000316500000000, 0.0000056700000000 ] - [ 0.0000855700000000, -0.0001675000000000, 0.0000486600000000 ] - [ 0.0002623600000000, 0.0000348100000000, -0.0000342500000000 ] - [ -0.0002142500000000, 0.0002408900000000, -0.0004567600000000 ] - [ 0.0001574500000000, -0.0002664600000000, 0.0004724100000000 ] - [ 0.0000983000000000, -0.0000063900000000, 0.0001907900000000 ] - [ 0.0000221300000000, 0.0000189400000000, -0.0001170700000000 ] - [ -0.0000609200000000, 0.0000339500000000, -0.0000980200000000 ] - [ -0.0004303400000000, 0.0000170300000000, 0.0002110700000000 ] - [ -0.0004079300000000, 0.0003571300000000, -0.0002812900000000 ] - [ 0.0000982300000000, 0.0001294000000000, -0.0003056600000000 ] - [ 0.0000874000000000, -0.0000438900000000, 0.0000257900000000 ] - [ -0.0004274500000000, 0.0003491200000000, -0.0002422400000000 ] - [ -0.0005033300000000, 0.0000249000000000, 0.0001230400000000 ] - [ -0.0000273000000000, 0.0000466500000000, -0.0000245300000000 ] - [ 0.0004944400000000, -0.0004858500000000, 0.0000822600000000 ] - [ -0.0000958900000000, 0.0001300400000000, -0.0001855100000000 ] - [ -0.0000163000000000, -0.0002090500000000, 0.0000902200000000 ] - [ 0.0001231100000000, 0.0000992400000000, 0.0001573500000000 ] - [ -0.0411979300000000, -0.0071554000000000, 0.0088080100000000 ] - [ 0.0001414900000000, -0.0000547800000000, -0.0001528200000000 ] - [ -0.0001194800000000, 0.0001352400000000, -0.0000006400000000 ] - [ -0.0001215500000000, -0.0000694900000000, 0.0001395400000000 ] - [ 0.0000189800000000, -0.0000268100000000, -0.0001489200000000 ] - [ 0.0148752500000000, 0.0118768500000000, -0.0113468600000000 ] - [ -0.0000367300000000, -0.0000585100000000, 0.0001713500000000 ] - [ 0.0000218100000000, -0.0000211400000000, -0.0002405800000000 ] - [ -0.0000205400000000, -0.0000324200000000, -0.0001310200000000 ] - [ 0.0002669500000000, 0.0001621100000000, 0.0000177400000000 ] - [ -0.0000826000000000, -0.0000339800000000, 0.0002444100000000 ] - [ 0.0000550700000000, -0.0000969900000000, -0.0000511000000000 ] - [ 0.0001701400000000, 0.0000163800000000, -0.0000144400000000 ] - [ 0.0002512700000000, 0.0000629700000000, 0.0001257500000000 ] - [ -0.0007446900000000, 0.0005215700000000, 0.0008050800000000 ] - [ 0.0004804500000000, -0.0001642800000000, 0.0002942800000000 ] - [ 0.0000191600000000, 0.0000285000000000, -0.0001894200000000 ] - [ -0.0001922900000000, -0.0001277900000000, 0.0004112100000000 ] - [ -0.0000467000000000, 0.0000501800000000, 0.0006490800000000 ] - [ 0.0004833100000000, -0.0000775900000000, -0.0003219500000000 ] - [ -0.0008152000000000, 0.0003812400000000, 0.0002789400000000 ] - [ 0.0002697600000000, -0.0002536500000000, 0.0000093100000000 ] - [ 0.0001720300000000, 0.0005823600000000, -0.0006991700000000 ] - [ -0.0001051200000000, -0.0000990700000000, 0.0002312200000000 ] - [ -0.0002441700000000, 0.0001601800000000, 0.0000046400000000 ] - [ 0.0003084600000000, -0.0000008800000000, -0.0002445800000000 ] - [ -0.0001041900000000, -0.0002161000000000, -0.0003976100000000 ] - [ -0.0006178500000000, 0.0002015600000000, 0.0001801300000000 ] - [ 0.0000975800000000, -0.0001708100000000, -0.0000405600000000 ] - [ -0.0001750000000000, 0.0002121600000000, 0.0002496200000000 ] - [ -0.0007472300000000, 0.0001615500000000, 0.0001174600000000 ] - [ 0.0002568400000000, 0.0001508400000000, 0.0000895400000000 ] - [ -0.0000596600000000, -0.0000175300000000, -0.0000717100000000 ] - [ 0.0001723200000000, -0.0000208700000000, -0.0000838500000000 ] - [ 0.0005100700000000, -0.0002957000000000, -0.0002769700000000 ] - [ -0.0012690400000000, 0.0006841800000000, -0.0001111400000000 ] - [ -0.0001378600000000, 0.0000003100000000, 0.0000796400000000 ] - [ -0.0001917700000000, 0.0016139700000000, -0.0003671200000000 ] - [ -0.0000209000000000, -0.0001357700000000, -0.0001860500000000 ] - [ 0.0000588000000000, -0.0000585800000000, 0.0001035400000000 ] - [ -0.0001281200000000, -0.0000262600000000, -0.0000004700000000 ] - [ 0.0003930400000000, 0.0001222900000000, 0.0000333900000000 ] - [ 0.0001329300000000, 0.0000075000000000, 0.0001201100000000 ] - [ 0.0001531000000000, -0.0001501300000000, 0.0000596700000000 ] - [ -0.0004877500000000, -0.0000608700000000, -0.0003123200000000 ] - [ -0.0000704800000000, -0.0000843500000000, -0.0001486700000000 ] - [ -0.0000678000000000, 0.0001362300000000, -0.0000586200000000 ] - [ 0.0001997100000000, -0.0001113000000000, -0.0001149800000000 ] - [ -0.0000823600000000, -0.0000507500000000, -0.0000104100000000 ] - [ -0.0000004300000000, 0.0000848800000000, -0.0000311500000000 ] - [ -0.0000668400000000, 0.0000403900000000, 0.0000949600000000 ] - [ 0.0058466600000000, -0.0024492600000000, 0.0045595300000000 ] - [ -0.0001598700000000, 0.0000904300000000, -0.0000478000000000 ] - [ 0.0002169000000000, 0.0000218400000000, -0.0000121800000000 ] - [ 0.0068635600000000, -0.0018158000000000, 0.0048345800000000 ] - [ -0.0000279300000000, -0.0000723700000000, -0.0001760600000000 ] - [ 0.0000749600000000, 0.0001753400000000, 0.0000612300000000 ] - [ -0.0001234300000000, -0.0000729700000000, -0.0000103700000000 ] - [ -0.0000078400000000, -0.0000835900000000, 0.0000491400000000 ] - [ 0.0051910500000000, -0.0020439500000000, -0.0041554600000000 ] - [ 0.0051344400000000, -0.0026476700000000, -0.0038334900000000 ] - [ -0.0000999000000000, -0.0001112500000000, 0.0000270700000000 ] - [ 0.0001220100000000, 0.0002334700000000, 0.0000577300000000 ] - [ -0.0000255700000000, -0.0001562600000000, 0.0000898500000000 ] - [ 0.0001000400000000, -0.0000465000000000, 0.0002159100000000 ] - [ -0.0001091300000000, 0.0000091000000000, -0.0001868500000000 ] - [ 0.0000384500000000, 0.0000699300000000, -0.0000281100000000 ] - [ -0.0017051400000000, -0.0006328100000000, 0.0007333000000000 ]- atom: 61 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001573300000000, -0.0000036500000000, 0.0000253400000000 ] - [ -0.0000709500000000, 0.0000445500000000, -0.0000547000000000 ] - [ 0.0006220700000000, 0.0002557100000000, 0.0001742600000000 ] - [ -0.0007380300000000, -0.0001506000000000, 0.0003164000000000 ] - [ -0.0002462900000000, -0.0000639300000000, -0.0000050000000000 ] - [ 0.0000647200000000, 0.0001770800000000, 0.0000668900000000 ] - [ 0.0000146800000000, -0.0000707700000000, -0.0000604300000000 ] - [ -0.0003569000000000, -0.0004163800000000, 0.0003977100000000 ] - [ 0.0000439400000000, -0.0000128500000000, -0.0000390000000000 ] - [ 0.0000221500000000, -0.0000175400000000, -0.0000446300000000 ] - [ -0.0000976900000000, -0.0003454900000000, -0.0001108000000000 ] - [ -0.0018258700000000, -0.0001770700000000, -0.0002746700000000 ] - [ -0.0001508300000000, 0.0000937400000000, 0.0000387300000000 ] - [ -0.0002448800000000, 0.0005056100000000, -0.0004982900000000 ] - [ -0.0000490600000000, -0.0000592600000000, -0.0001591000000000 ] - [ 0.0002204100000000, -0.0000916000000000, -0.0000517700000000 ] - [ -0.0002995800000000, 0.0000702300000000, -0.0001389900000000 ] - [ 0.0001070800000000, 0.0000826900000000, -0.0000913800000000 ] - [ 0.0000469400000000, 0.0006071100000000, -0.0004665100000000 ] - [ -0.0000371900000000, 0.0000083500000000, -0.0000127300000000 ] - [ 0.0000856900000000, 0.0000752500000000, -0.0001050800000000 ] - [ -0.0000207500000000, -0.0000284900000000, 0.0001314800000000 ] - [ -0.0004354000000000, -0.0003471900000000, -0.0002782900000000 ] - [ 0.0000849400000000, 0.0004151600000000, -0.0001044300000000 ] - [ -0.0000355700000000, 0.0000025200000000, 0.0000969500000000 ] - [ -0.0014203600000000, 0.0010131800000000, 0.0002689900000000 ] - [ -0.0000549300000000, 0.0000539600000000, -0.0000148300000000 ] - [ -0.0000283600000000, -0.0000405700000000, 0.0000117200000000 ] - [ 0.0000084400000000, 0.0000815700000000, 0.0000988500000000 ] - [ -0.0000872900000000, 0.0001348700000000, 0.0003943800000000 ] - [ -0.0000804300000000, 0.0002485800000000, -0.0000112300000000 ] - [ -0.0008477400000000, -0.0001422900000000, -0.0001600700000000 ] - [ -0.0001574900000000, 0.0000075000000000, 0.0000711600000000 ] - [ -0.0016742200000000, -0.0037859600000000, -0.0007286900000000 ] - [ 0.0001085800000000, -0.0000339700000000, -0.0000811600000000 ] - [ 0.0000447300000000, -0.0000291500000000, 0.0001359200000000 ] - [ 0.0001356100000000, 0.0000666600000000, -0.0001686900000000 ] - [ 0.0001709200000000, 0.0003424100000000, 0.0003998800000000 ] - [ -0.0006099500000000, -0.0000767100000000, 0.0005299400000000 ] - [ -0.0000181200000000, 0.0000002600000000, -0.0000830200000000 ] - [ -0.0003607600000000, 0.0001063900000000, -0.0000332200000000 ] - [ -0.0001133100000000, 0.0000582400000000, -0.0000019200000000 ] - [ 0.0001859000000000, 0.0000820000000000, -0.0000404500000000 ] - [ 0.0000126800000000, 0.0000532200000000, 0.0000302100000000 ] - [ 0.0002000200000000, -0.0003139900000000, 0.0000503300000000 ] - [ -0.0001731100000000, 0.0003421500000000, -0.0000659700000000 ] - [ -0.0000840000000000, -0.0000728200000000, 0.0002119100000000 ] - [ -0.0000081200000000, 0.0000589100000000, -0.0002886500000000 ] - [ -0.0000636200000000, 0.0000151200000000, -0.0002158900000000 ] - [ 0.0003034700000000, -0.0000766800000000, 0.0001005900000000 ] - [ 0.0005316100000000, -0.0003084100000000, 0.0005852500000000 ] - [ 0.0000276900000000, -0.0001795300000000, -0.0000070400000000 ] - [ 0.0000692100000000, -0.0000746000000000, -0.0000550100000000 ] - [ 0.0005859500000000, -0.0002291300000000, 0.0002708900000000 ] - [ 0.0003444400000000, -0.0001422100000000, -0.0000936500000000 ] - [ -0.0001298200000000, 0.0000719700000000, -0.0000047500000000 ] - [ -0.0006056900000000, 0.0002682000000000, 0.0002604000000000 ] - [ -0.0000163500000000, 0.0000854100000000, -0.0001587100000000 ] - [ 0.0001280800000000, -0.0000044400000000, -0.0004360300000000 ] - [ -0.0000099400000000, 0.0001148800000000, 0.0001861500000000 ] - [ 0.0412843600000000, 0.0074131700000000, -0.0086964500000000 ] - [ 0.0000613700000000, -0.0000626900000000, -0.0000732700000000 ] - [ -0.0000821500000000, -0.0000159800000000, -0.0002243900000000 ] - [ -0.0000813500000000, -0.0000491500000000, 0.0000867300000000 ] - [ 0.0000427400000000, -0.0001269900000000, -0.0002598200000000 ] - [ -0.0147514100000000, -0.0118926600000000, 0.0118392800000000 ] - [ -0.0000251500000000, -0.0000947400000000, 0.0002362300000000 ] - [ -0.0000817300000000, 0.0001745500000000, -0.0001683300000000 ] - [ -0.0000466700000000, -0.0000041600000000, -0.0000926800000000 ] - [ -0.0003374700000000, -0.0001194900000000, 0.0002020500000000 ] - [ 0.0001486700000000, -0.0000059600000000, -0.0000170000000000 ] - [ 0.0000124700000000, 0.0001340700000000, -0.0001732800000000 ] - [ 0.0001524400000000, 0.0000711300000000, -0.0000384100000000 ] - [ 0.0000744600000000, -0.0001420100000000, -0.0000698700000000 ] - [ 0.0004224900000000, -0.0004390700000000, -0.0007594400000000 ] - [ -0.0008021200000000, 0.0000786700000000, -0.0003469100000000 ] - [ -0.0000740500000000, 0.0001075400000000, -0.0003495500000000 ] - [ 0.0001361700000000, -0.0000063900000000, 0.0001314900000000 ] - [ 0.0001010200000000, 0.0000832200000000, -0.0001112600000000 ] - [ -0.0004208800000000, -0.0000616300000000, -0.0002176900000000 ] - [ 0.0009583500000000, -0.0001994800000000, 0.0001400900000000 ] - [ -0.0001289700000000, 0.0000697400000000, -0.0004264400000000 ] - [ -0.0002953200000000, -0.0004178800000000, 0.0003000000000000 ] - [ -0.0000349600000000, -0.0000795000000000, 0.0001885200000000 ] - [ 0.0005732600000000, -0.0003144000000000, 0.0003045100000000 ] - [ 0.0000218900000000, 0.0001551900000000, -0.0000677100000000 ] - [ -0.0002263000000000, 0.0000577100000000, 0.0000873700000000 ] - [ 0.0002834600000000, -0.0000419700000000, 0.0001317700000000 ] - [ -0.0000395300000000, -0.0000930200000000, -0.0001178200000000 ] - [ 0.0002305200000000, 0.0000514500000000, -0.0000872100000000 ] - [ 0.0006885300000000, -0.0004229000000000, 0.0000420800000000 ] - [ -0.0002998500000000, 0.0001064700000000, -0.0002627200000000 ] - [ 0.0000456500000000, 0.0000471100000000, 0.0000545300000000 ] - [ -0.0001831300000000, -0.0000117500000000, 0.0001018300000000 ] - [ -0.0005019200000000, 0.0003264400000000, 0.0002951700000000 ] - [ 0.0012851800000000, -0.0007249500000000, 0.0000960200000000 ] - [ 0.0001557400000000, -0.0000880500000000, 0.0000598800000000 ] - [ 0.0002183900000000, -0.0015362200000000, 0.0002344800000000 ] - [ 0.0000008900000000, 0.0000493100000000, 0.0000463800000000 ] - [ -0.0000802300000000, 0.0001472000000000, 0.0000384500000000 ] - [ 0.0000056400000000, -0.0000783300000000, 0.0000403700000000 ] - [ -0.0005079300000000, -0.0000212600000000, -0.0000768500000000 ] - [ -0.0000135300000000, -0.0001110300000000, -0.0001602400000000 ] - [ -0.0000378200000000, 0.0002547500000000, -0.0000221200000000 ] - [ 0.0002631800000000, 0.0001846000000000, 0.0004529900000000 ] - [ -0.0001459600000000, -0.0000380300000000, 0.0000055600000000 ] - [ 0.0002841600000000, -0.0000149600000000, -0.0000880100000000 ] - [ 0.0000198300000000, -0.0000109100000000, 0.0002577100000000 ] - [ -0.0000092600000000, 0.0000056200000000, 0.0000140400000000 ] - [ -0.0000883400000000, -0.0000415200000000, 0.0000275100000000 ] - [ 0.0001546400000000, -0.0000876900000000, -0.0000976400000000 ] - [ -0.0055743200000000, 0.0024243000000000, -0.0043703700000000 ] - [ 0.0001197100000000, -0.0000708000000000, -0.0000815200000000 ] - [ -0.0002513100000000, -0.0000408700000000, 0.0001427600000000 ] - [ -0.0069322000000000, 0.0018943500000000, -0.0048516500000000 ] - [ 0.0000653500000000, 0.0000524700000000, 0.0000461100000000 ] - [ -0.0001808600000000, 0.0000700400000000, -0.0000238200000000 ] - [ 0.0000128700000000, -0.0001728200000000, -0.0000273100000000 ] - [ 0.0001157000000000, 0.0003268600000000, -0.0000878000000000 ] - [ -0.0052223400000000, 0.0018799800000000, 0.0043606100000000 ] - [ -0.0051057000000000, 0.0027689700000000, 0.0036190600000000 ] - [ 0.0000091700000000, -0.0000611800000000, 0.0000311900000000 ] - [ -0.0000298400000000, -0.0000654100000000, -0.0000019100000000 ] - [ 0.0001146800000000, -0.0000140200000000, -0.0001478800000000 ] - [ -0.0000578700000000, 0.0000656000000000, -0.0000329700000000 ] - [ 0.0001507900000000, -0.0000276100000000, 0.0000050100000000 ] - [ -0.0000787800000000, -0.0000534900000000, -0.0001542600000000 ] - [ 0.0016554100000000, 0.0006122600000000, -0.0005447300000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001159000000000, -0.0000153500000000, 0.0000304100000000 ] - [ -0.0001575700000000, 0.0000566800000000, 0.0000401200000000 ] - [ -0.0000491100000000, 0.0003111400000000, 0.0002883000000000 ] - [ 0.0003199400000000, 0.0001090800000000, -0.0000908100000000 ] - [ -0.0000424900000000, -0.0000908800000000, 0.0000113600000000 ] - [ -0.0001054000000000, 0.0002767400000000, 0.0000332500000000 ] - [ 0.0000314700000000, 0.0000333000000000, 0.0001591500000000 ] - [ -0.0001351300000000, -0.0000709500000000, 0.0000137900000000 ] - [ 0.0000383900000000, -0.0000629500000000, -0.0000133700000000 ] - [ 0.0001304900000000, 0.0001771500000000, 0.0001121700000000 ] - [ 0.0002201800000000, 0.0008716800000000, 0.0003114400000000 ] - [ -0.0006435900000000, 0.0001315900000000, -0.0001370800000000 ] - [ -0.0001175700000000, 0.0002424500000000, 0.0000180500000000 ] - [ -0.0002492100000000, -0.0001694800000000, -0.0000506300000000 ] - [ -0.0000108400000000, -0.0001170700000000, -0.0002257100000000 ] - [ 0.0001128200000000, -0.0000326500000000, 0.0002324400000000 ] - [ 0.0001970300000000, -0.0002104500000000, -0.0000464800000000 ] - [ -0.0000942700000000, 0.0001496000000000, -0.0000820100000000 ] - [ 0.0003095100000000, 0.0002135700000000, -0.0000736900000000 ] - [ 0.0000262800000000, -0.0000035400000000, 0.0000070200000000 ] - [ 0.0000956800000000, 0.0000743200000000, -0.0000599300000000 ] - [ 0.0001027200000000, -0.0000910100000000, 0.0000947500000000 ] - [ -0.0001859400000000, -0.0000253400000000, 0.0000849400000000 ] - [ -0.0002160100000000, 0.0013289700000000, -0.0003380500000000 ] - [ 0.0001300100000000, 0.0003316800000000, -0.0001234200000000 ] - [ -0.0008239600000000, 0.0005032700000000, 0.0006915100000000 ] - [ -0.0000358100000000, 0.0000274700000000, 0.0000203700000000 ] - [ 0.0000011100000000, -0.0005086700000000, 0.0003706000000000 ] - [ -0.0000295100000000, 0.0004890600000000, -0.0001788400000000 ] - [ -0.0000370800000000, -0.0002908200000000, 0.0000862800000000 ] - [ 0.0000054800000000, 0.0001863900000000, 0.0000740700000000 ] - [ 0.0001904500000000, -0.0007409800000000, 0.0017666800000000 ] - [ -0.0000383600000000, 0.0001128000000000, 0.0000802600000000 ] - [ 0.0034448100000000, 0.0083185100000000, 0.0011971300000000 ] - [ 0.0000881400000000, 0.0000221800000000, -0.0000882000000000 ] - [ 0.0000581000000000, -0.0001140200000000, 0.0001730700000000 ] - [ 0.0001565200000000, 0.0000934000000000, -0.0001733200000000 ] - [ 0.0000798700000000, -0.0002058600000000, 0.0001173900000000 ] - [ -0.0004512800000000, -0.0002240500000000, 0.0004902400000000 ] - [ -0.0001923700000000, -0.0001027700000000, -0.0003972800000000 ] - [ 0.0001783600000000, -0.0002006800000000, -0.0000501900000000 ] - [ -0.0001556500000000, 0.0001780900000000, -0.0000237400000000 ] - [ 0.0002552300000000, 0.0000338000000000, -0.0001761300000000 ] - [ 0.0001117200000000, -0.0000112200000000, 0.0001069600000000 ] - [ -0.0001677200000000, 0.0006092300000000, -0.0007298500000000 ] - [ -0.0001007800000000, 0.0001736800000000, 0.0000094600000000 ] - [ 0.0000109400000000, 0.0000007400000000, 0.0002537600000000 ] - [ 0.0002089800000000, -0.0001229500000000, 0.0000224700000000 ] - [ -0.0000430800000000, 0.0000044800000000, -0.0001964000000000 ] - [ 0.0000247100000000, -0.0002791600000000, 0.0003692700000000 ] - [ 0.0003559600000000, 0.0001468300000000, -0.0008829400000000 ] - [ 0.0001455600000000, -0.0002851100000000, 0.0000417600000000 ] - [ 0.0000556300000000, -0.0000435000000000, -0.0000560300000000 ] - [ 0.0003440400000000, 0.0000166800000000, -0.0003432600000000 ] - [ -0.0000559900000000, -0.0002681900000000, 0.0002082500000000 ] - [ -0.0000718700000000, 0.0000788800000000, 0.0000547700000000 ] - [ -0.0001446500000000, -0.0002169500000000, 0.0001434300000000 ] - [ -0.0000684500000000, 0.0003051600000000, -0.0001270700000000 ] - [ 0.0001557400000000, -0.0001341500000000, 0.0000364300000000 ] - [ 0.0000235100000000, 0.0000818300000000, 0.0001858300000000 ] - [ -0.0067814200000000, -0.0556760700000000, 0.0217298500000000 ] - [ 0.0000972900000000, 0.0000616200000000, -0.0000947200000000 ] - [ -0.0001776800000000, 0.0001078800000000, -0.0001073200000000 ] - [ -0.0001113300000000, -0.0001216000000000, 0.0001667400000000 ] - [ 0.0000526500000000, -0.0001104900000000, -0.0002059000000000 ] - [ 0.0124138800000000, 0.0377856900000000, -0.0268398400000000 ] - [ 0.0000017400000000, -0.0000231400000000, 0.0001459300000000 ] - [ -0.0000816100000000, 0.0000460800000000, -0.0002582800000000 ] - [ -0.0000484700000000, 0.0000140700000000, -0.0000887800000000 ] - [ 0.0000441200000000, 0.0006719400000000, 0.0001770100000000 ] - [ 0.0000091300000000, -0.0002069500000000, 0.0003302400000000 ] - [ -0.0000155700000000, 0.0001835900000000, -0.0002339300000000 ] - [ 0.0001423700000000, 0.0000653800000000, 0.0000082200000000 ] - [ 0.0002683600000000, 0.0002127000000000, 0.0002053900000000 ] - [ -0.0006923800000000, 0.0013298000000000, 0.0021445000000000 ] - [ -0.0003018800000000, 0.0003600900000000, -0.0002234900000000 ] - [ -0.0000218000000000, 0.0000956600000000, -0.0002706700000000 ] - [ -0.0003106400000000, -0.0002737700000000, 0.0004953800000000 ] - [ -0.0000055900000000, -0.0000895100000000, 0.0013145600000000 ] - [ -0.0003256800000000, 0.0003133900000000, -0.0004882700000000 ] - [ 0.0002312700000000, 0.0004323700000000, 0.0000361000000000 ] - [ 0.0003127700000000, -0.0006048900000000, 0.0001934900000000 ] - [ -0.0011613200000000, 0.0010987900000000, -0.0012417500000000 ] - [ -0.0001163800000000, -0.0000695300000000, 0.0001114800000000 ] - [ 0.0002404200000000, 0.0000386200000000, 0.0001478100000000 ] - [ 0.0000834500000000, -0.0003607300000000, -0.0002005700000000 ] - [ -0.0001916900000000, -0.0002491700000000, -0.0006059100000000 ] - [ 0.0000422100000000, 0.0000404000000000, 0.0002548100000000 ] - [ 0.0001241600000000, -0.0002969400000000, -0.0000084300000000 ] - [ 0.0000468900000000, 0.0002861100000000, 0.0001111800000000 ] - [ 0.0001825800000000, -0.0002342300000000, -0.0000852600000000 ] - [ -0.0009188600000000, 0.0008006200000000, 0.0009948800000000 ] - [ -0.0000325000000000, 0.0000404800000000, -0.0000110600000000 ] - [ 0.0001951900000000, -0.0001432000000000, -0.0001032200000000 ] - [ 0.0006589800000000, -0.0005907900000000, -0.0004503000000000 ] - [ -0.0001619800000000, -0.0005390200000000, 0.0000195700000000 ] - [ -0.0000758100000000, -0.0001215900000000, 0.0000777800000000 ] - [ 0.0005924200000000, -0.0001523300000000, 0.0005382700000000 ] - [ -0.0000999900000000, -0.0000927700000000, -0.0000709500000000 ] - [ 0.0001174600000000, -0.0000525800000000, -0.0000473800000000 ] - [ -0.0001453200000000, -0.0000427600000000, 0.0000292700000000 ] - [ 0.0002644900000000, -0.0001401200000000, -0.0004800600000000 ] - [ 0.0000526500000000, 0.0001474100000000, -0.0001977800000000 ] - [ 0.0006225300000000, -0.0001239300000000, 0.0003579800000000 ] - [ -0.0005801000000000, 0.0004171700000000, -0.0001362400000000 ] - [ -0.0000412700000000, -0.0002352900000000, -0.0002081700000000 ] - [ 0.0001601000000000, -0.0001734300000000, 0.0001416200000000 ] - [ 0.0001680400000000, 0.0001183500000000, 0.0001109000000000 ] - [ -0.0001205400000000, 0.0001118300000000, -0.0000009400000000 ] - [ -0.0000397400000000, 0.0001054700000000, -0.0001558100000000 ] - [ 0.0001513500000000, -0.0003801200000000, -0.0000485300000000 ] - [ -0.0023061500000000, 0.0012457900000000, -0.0023048000000000 ] - [ -0.0001413500000000, -0.0000571000000000, -0.0000098700000000 ] - [ 0.0000975500000000, 0.0000047500000000, 0.0001910500000000 ] - [ -0.0015409600000000, 0.0003827700000000, -0.0012436400000000 ] - [ -0.0001495200000000, -0.0000358100000000, -0.0002147700000000 ] - [ 0.0000182000000000, 0.0001791100000000, -0.0000255800000000 ] - [ -0.0001575800000000, -0.0000967700000000, -0.0000632800000000 ] - [ -0.0000527500000000, -0.0000337500000000, 0.0000172300000000 ] - [ -0.0015868300000000, 0.0011113000000000, 0.0012160900000000 ] - [ -0.0027542600000000, 0.0020885700000000, 0.0018431600000000 ] - [ 0.0000323900000000, -0.0002693600000000, -0.0001017400000000 ] - [ 0.0001379100000000, 0.0000857900000000, 0.0001407400000000 ] - [ -0.0001000500000000, 0.0000946300000000, -0.0000222200000000 ] - [ 0.0000553600000000, 0.0000047500000000, 0.0000347400000000 ] - [ 0.0000274500000000, -0.0000976200000000, -0.0001227000000000 ] - [ 0.0000694200000000, -0.0002188100000000, 0.0000896500000000 ] - [ 0.0005644700000000, 0.0007795200000000, 0.0003237900000000 ]- atom: 61 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001278800000000, 0.0000209200000000, 0.0000232500000000 ] - [ -0.0000841700000000, -0.0000647100000000, -0.0000959400000000 ] - [ 0.0002885200000000, -0.0003055100000000, -0.0003419100000000 ] - [ -0.0000796900000000, -0.0001159300000000, 0.0001418300000000 ] - [ -0.0000123700000000, 0.0000241600000000, -0.0000388500000000 ] - [ 0.0000517800000000, -0.0002141400000000, -0.0000060800000000 ] - [ 0.0000242100000000, -0.0000992300000000, -0.0001276200000000 ] - [ 0.0001856600000000, 0.0001363400000000, -0.0000389100000000 ] - [ 0.0000768800000000, 0.0000385500000000, -0.0000207100000000 ] - [ -0.0000168500000000, -0.0001579400000000, -0.0000821300000000 ] - [ -0.0003319000000000, -0.0008881800000000, -0.0002745500000000 ] - [ 0.0005356100000000, -0.0001079500000000, 0.0001024300000000 ] - [ -0.0001758900000000, -0.0000958500000000, 0.0000470000000000 ] - [ -0.0000406100000000, 0.0000248300000000, -0.0000158200000000 ] - [ 0.0003030700000000, 0.0002639100000000, 0.0001585300000000 ] - [ 0.0001797300000000, -0.0001159900000000, -0.0001630800000000 ] - [ -0.0001956000000000, 0.0002008700000000, 0.0000009000000000 ] - [ 0.0001003600000000, -0.0001392600000000, 0.0001283400000000 ] - [ -0.0003118200000000, -0.0002292900000000, 0.0001211400000000 ] - [ -0.0000310700000000, 0.0000158500000000, -0.0000499200000000 ] - [ 0.0000737700000000, 0.0000133100000000, -0.0001031600000000 ] - [ 0.0000655600000000, 0.0000035500000000, 0.0000692000000000 ] - [ 0.0000164700000000, 0.0001148800000000, 0.0000786500000000 ] - [ 0.0000425700000000, -0.0014015700000000, 0.0001702300000000 ] - [ -0.0000737500000000, -0.0002183500000000, 0.0001780000000000 ] - [ 0.0009052300000000, -0.0006211800000000, -0.0007568300000000 ] - [ -0.0000215900000000, 0.0000870700000000, -0.0000727000000000 ] - [ -0.0000552600000000, 0.0003849900000000, -0.0003087900000000 ] - [ -0.0000160800000000, -0.0000759600000000, 0.0001892700000000 ] - [ -0.0000106000000000, -0.0001225300000000, -0.0001009600000000 ] - [ 0.0000407700000000, 0.0002249000000000, -0.0000815300000000 ] - [ -0.0001465100000000, 0.0003435900000000, -0.0017307700000000 ] - [ -0.0001178800000000, -0.0001333500000000, 0.0000941300000000 ] - [ -0.0036517100000000, -0.0083876900000000, -0.0013546400000000 ] - [ 0.0000696200000000, -0.0000397900000000, -0.0000858100000000 ] - [ 0.0000981700000000, 0.0001321000000000, 0.0000029000000000 ] - [ 0.0001260600000000, 0.0000211600000000, -0.0001558100000000 ] - [ 0.0002045100000000, 0.0000956300000000, 0.0002143700000000 ] - [ 0.0001669300000000, 0.0003399300000000, -0.0001587800000000 ] - [ -0.0000938300000000, -0.0000183600000000, 0.0000603500000000 ] - [ -0.0004594600000000, 0.0001189500000000, 0.0000420700000000 ] - [ -0.0001191700000000, -0.0000898700000000, 0.0000288400000000 ] - [ 0.0000196400000000, -0.0001235400000000, 0.0001798000000000 ] - [ 0.0001624500000000, 0.0001003200000000, -0.0001099600000000 ] - [ 0.0001549200000000, -0.0006865800000000, 0.0003276900000000 ] - [ 0.0000885100000000, -0.0001006000000000, 0.0003997600000000 ] - [ 0.0000023100000000, -0.0000787500000000, 0.0001518400000000 ] - [ -0.0001934000000000, 0.0001996700000000, -0.0004230500000000 ] - [ -0.0000819400000000, 0.0000445700000000, -0.0001161300000000 ] - [ -0.0001575300000000, 0.0002153500000000, -0.0000643100000000 ] - [ -0.0002340100000000, -0.0001057900000000, 0.0011889000000000 ] - [ -0.0000218000000000, 0.0002350400000000, -0.0003569400000000 ] - [ 0.0000998600000000, -0.0000752900000000, 0.0000262600000000 ] - [ -0.0001926600000000, 0.0000907800000000, 0.0004022400000000 ] - [ -0.0000969800000000, 0.0001539100000000, -0.0001812800000000 ] - [ -0.0000857100000000, 0.0000398600000000, -0.0000821600000000 ] - [ 0.0000290100000000, 0.0000070600000000, 0.0002014300000000 ] - [ -0.0000433400000000, -0.0000915300000000, -0.0002172500000000 ] - [ -0.0000423200000000, -0.0000829800000000, -0.0003738600000000 ] - [ 0.0000879700000000, 0.0001333800000000, 0.0001594500000000 ] - [ 0.0077991900000000, 0.0571805200000000, -0.0229440500000000 ] - [ 0.0001050800000000, -0.0001797100000000, -0.0001313800000000 ] - [ -0.0000264900000000, 0.0000102200000000, -0.0001175600000000 ] - [ -0.0000909600000000, 0.0000041700000000, 0.0000595100000000 ] - [ 0.0000085200000000, -0.0000426100000000, -0.0002015100000000 ] - [ -0.0130811900000000, -0.0389934000000000, 0.0285951000000000 ] - [ -0.0000639100000000, -0.0001312800000000, 0.0002616400000000 ] - [ 0.0000183400000000, 0.0001057100000000, -0.0001517100000000 ] - [ -0.0000189700000000, -0.0000509300000000, -0.0001349500000000 ] - [ -0.0001066900000000, -0.0006310300000000, 0.0000474700000000 ] - [ 0.0000571100000000, 0.0001683700000000, -0.0001112100000000 ] - [ 0.0000823100000000, -0.0001477500000000, 0.0000097800000000 ] - [ 0.0001799700000000, 0.0000213500000000, -0.0000604000000000 ] - [ 0.0000580100000000, -0.0002914700000000, -0.0001520600000000 ] - [ 0.0003710300000000, -0.0012264000000000, -0.0020805500000000 ] - [ -0.0000193300000000, -0.0004468000000000, 0.0001704400000000 ] - [ -0.0000333500000000, 0.0000403300000000, -0.0002673900000000 ] - [ 0.0002622200000000, 0.0001370800000000, 0.0000293100000000 ] - [ 0.0000600100000000, 0.0002223800000000, -0.0007637700000000 ] - [ 0.0003790600000000, -0.0004478400000000, -0.0000515600000000 ] - [ -0.0000904700000000, -0.0002607000000000, 0.0003903500000000 ] - [ -0.0001718400000000, 0.0004269100000000, -0.0006158600000000 ] - [ 0.0010036900000000, -0.0008968400000000, 0.0008018000000000 ] - [ -0.0000233400000000, -0.0001106500000000, 0.0003053700000000 ] - [ 0.0000899100000000, -0.0001984200000000, 0.0001629300000000 ] - [ 0.0002476700000000, 0.0005216200000000, -0.0001122000000000 ] - [ -0.0001379900000000, 0.0000901300000000, 0.0002870500000000 ] - [ -0.0003671800000000, 0.0001156800000000, 0.0000547300000000 ] - [ -0.0000670000000000, 0.0000343700000000, -0.0001535400000000 ] - [ 0.0000100300000000, -0.0000271300000000, 0.0000498700000000 ] - [ -0.0002376700000000, -0.0000298200000000, 0.0002438100000000 ] - [ 0.0008565500000000, -0.0005087300000000, -0.0011412100000000 ] - [ 0.0000191200000000, -0.0000106900000000, -0.0000081700000000 ] - [ -0.0002148800000000, 0.0001138300000000, 0.0001352000000000 ] - [ -0.0006400000000000, 0.0006189300000000, 0.0004731200000000 ] - [ 0.0001798200000000, 0.0005102000000000, -0.0000375100000000 ] - [ 0.0000946600000000, 0.0000356000000000, 0.0000616600000000 ] - [ -0.0005853900000000, 0.0002549900000000, -0.0006821300000000 ] - [ 0.0000795100000000, 0.0000036600000000, -0.0000706600000000 ] - [ -0.0001348400000000, 0.0001398100000000, 0.0001835000000000 ] - [ 0.0000238800000000, -0.0000610400000000, 0.0000091300000000 ] - [ -0.0003906900000000, 0.0002419600000000, 0.0004470200000000 ] - [ 0.0000689800000000, -0.0002519900000000, 0.0001568200000000 ] - [ -0.0004893200000000, 0.0002304500000000, -0.0003141100000000 ] - [ 0.0003647500000000, -0.0003008800000000, 0.0002876000000000 ] - [ -0.0001761500000000, 0.0001137400000000, 0.0000617100000000 ] - [ 0.0000554600000000, 0.0002980700000000, -0.0002847200000000 ] - [ 0.0000490900000000, -0.0002400900000000, 0.0000320100000000 ] - [ 0.0000306800000000, -0.0001576800000000, 0.0000050600000000 ] - [ -0.0000498100000000, -0.0000547700000000, 0.0001484400000000 ] - [ -0.0000616000000000, 0.0003356400000000, 0.0000449500000000 ] - [ 0.0023888300000000, -0.0011992900000000, 0.0023132500000000 ] - [ 0.0001064200000000, 0.0000782900000000, -0.0001187300000000 ] - [ -0.0001361100000000, -0.0000236400000000, -0.0000645700000000 ] - [ 0.0015620300000000, -0.0003673700000000, 0.0013561000000000 ] - [ 0.0001853400000000, 0.0000166000000000, 0.0000832800000000 ] - [ -0.0001252600000000, 0.0000659300000000, 0.0000623600000000 ] - [ 0.0000488100000000, -0.0001484900000000, 0.0000256000000000 ] - [ 0.0001604100000000, 0.0002797800000000, -0.0000516800000000 ] - [ 0.0016749200000000, -0.0013640200000000, -0.0011579900000000 ] - [ 0.0026609000000000, -0.0019111200000000, -0.0018812300000000 ] - [ -0.0001231900000000, 0.0000984900000000, 0.0001580600000000 ] - [ -0.0000465200000000, 0.0000905500000000, -0.0000797600000000 ] - [ 0.0001927900000000, -0.0002665900000000, -0.0000388500000000 ] - [ -0.0000140300000000, 0.0000120600000000, 0.0001445500000000 ] - [ 0.0000120900000000, 0.0000819200000000, -0.0000596500000000 ] - [ -0.0001115300000000, 0.0002387900000000, -0.0002687500000000 ] - [ -0.0005882900000000, -0.0007967400000000, -0.0001476800000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000446000000000, 0.0000073200000000, 0.0001700500000000 ] - [ -0.0002529700000000, 0.0002235600000000, -0.0001671500000000 ] - [ 0.0001269300000000, 0.0002234400000000, 0.0000566700000000 ] - [ -0.0003636600000000, -0.0002240400000000, -0.0002781500000000 ] - [ -0.0000573300000000, -0.0000758800000000, -0.0000800800000000 ] - [ -0.0000176000000000, 0.0000461500000000, -0.0001140200000000 ] - [ -0.0000180100000000, -0.0000514400000000, 0.0001164500000000 ] - [ -0.0002662800000000, -0.0004404900000000, 0.0005191500000000 ] - [ 0.0000643000000000, -0.0000178100000000, 0.0001573800000000 ] - [ 0.0000479700000000, 0.0000984100000000, -0.0003213900000000 ] - [ 0.0001482900000000, 0.0004519600000000, 0.0002468400000000 ] - [ 0.0001091300000000, -0.0003610500000000, -0.0004407300000000 ] - [ -0.0001710300000000, 0.0000255700000000, -0.0000251300000000 ] - [ -0.0001163100000000, -0.0003859500000000, -0.0000266100000000 ] - [ 0.0004416700000000, 0.0001897900000000, 0.0002680600000000 ] - [ 0.0001796400000000, -0.0000356400000000, 0.0001214900000000 ] - [ 0.0000165300000000, 0.0000274300000000, -0.0002921700000000 ] - [ 0.0000378300000000, -0.0000676400000000, 0.0000094200000000 ] - [ -0.0003493600000000, -0.0005855600000000, 0.0003114600000000 ] - [ 0.0000165500000000, -0.0000400100000000, 0.0001314100000000 ] - [ 0.0000480100000000, 0.0001173000000000, 0.0000893300000000 ] - [ 0.0000385300000000, 0.0000650200000000, 0.0001048400000000 ] - [ 0.0000256100000000, 0.0002496800000000, 0.0001845100000000 ] - [ 0.0000088100000000, -0.0006839200000000, -0.0002208400000000 ] - [ -0.0000024000000000, 0.0000550500000000, 0.0000407400000000 ] - [ -0.0005404500000000, -0.0001929800000000, -0.0006217600000000 ] - [ -0.0000533700000000, 0.0000316500000000, 0.0001995600000000 ] - [ 0.0000252500000000, 0.0005416200000000, -0.0004946200000000 ] - [ 0.0000598600000000, 0.0000039700000000, 0.0002544400000000 ] - [ 0.0000095800000000, 0.0000679000000000, 0.0000391900000000 ] - [ 0.0000356100000000, 0.0002213800000000, 0.0001497400000000 ] - [ -0.0003021400000000, 0.0025326400000000, -0.0014661800000000 ] - [ -0.0000420800000000, 0.0000026700000000, 0.0000803700000000 ] - [ -0.0003671300000000, -0.0006523800000000, -0.0050010500000000 ] - [ 0.0000836400000000, -0.0000116200000000, 0.0001194700000000 ] - [ 0.0001191100000000, 0.0001136300000000, -0.0000181500000000 ] - [ 0.0000670900000000, 0.0001100700000000, 0.0001257900000000 ] - [ 0.0001081300000000, 0.0004215200000000, 0.0003955800000000 ] - [ -0.0003994200000000, -0.0001439900000000, 0.0003170500000000 ] - [ -0.0001253900000000, 0.0000169600000000, -0.0001039200000000 ] - [ -0.0004410800000000, 0.0003219500000000, -0.0002869800000000 ] - [ -0.0001355600000000, 0.0000383800000000, 0.0000748600000000 ] - [ -0.0000328600000000, 0.0001779200000000, 0.0000256100000000 ] - [ 0.0001063800000000, 0.0000612500000000, 0.0001767500000000 ] - [ 0.0000164900000000, -0.0000936400000000, -0.0003168400000000 ] - [ 0.0000232200000000, 0.0001392100000000, -0.0001143900000000 ] - [ -0.0000027900000000, -0.0001493500000000, 0.0004373900000000 ] - [ -0.0001061000000000, 0.0000451100000000, -0.0001412600000000 ] - [ 0.0000258600000000, -0.0000436300000000, -0.0001218500000000 ] - [ -0.0012923600000000, -0.0028189100000000, -0.0007667000000000 ] - [ 0.0001588900000000, 0.0003276900000000, 0.0008901600000000 ] - [ 0.0000784700000000, -0.0001430800000000, -0.0001655800000000 ] - [ 0.0000835300000000, -0.0000060000000000, -0.0000488600000000 ] - [ -0.0003032500000000, -0.0008245400000000, 0.0015239100000000 ] - [ 0.0000400800000000, 0.0000510100000000, -0.0000617000000000 ] - [ -0.0000793500000000, 0.0001314500000000, 0.0000172300000000 ] - [ 0.0003163300000000, -0.0004988800000000, -0.0002612800000000 ] - [ -0.0000663100000000, 0.0000778800000000, -0.0002131800000000 ] - [ -0.0000937100000000, -0.0001048800000000, -0.0002171800000000 ] - [ 0.0001169800000000, 0.0000307400000000, 0.0004350600000000 ] - [ 0.0090613400000000, 0.0228827100000000, -0.0505751500000000 ] - [ 0.0001409100000000, -0.0000410200000000, -0.0001576400000000 ] - [ 0.0000096500000000, 0.0000535800000000, -0.0002308400000000 ] - [ -0.0001273400000000, -0.0001118000000000, 0.0002618300000000 ] - [ 0.0000408400000000, -0.0000562800000000, -0.0001852600000000 ] - [ -0.0113002500000000, -0.0260066400000000, 0.0321909500000000 ] - [ 0.0000481800000000, 0.0000973800000000, -0.0000351700000000 ] - [ 0.0000070500000000, 0.0001236800000000, -0.0001274300000000 ] - [ -0.0000324400000000, 0.0000133400000000, -0.0000459300000000 ] - [ 0.0010175000000000, 0.0025176200000000, 0.0013600900000000 ] - [ 0.0000109300000000, -0.0000624700000000, -0.0008574500000000 ] - [ 0.0000445600000000, 0.0000868300000000, -0.0001836400000000 ] - [ 0.0001495500000000, 0.0001076300000000, 0.0000727800000000 ] - [ 0.0011386900000000, 0.0021918800000000, 0.0009679000000000 ] - [ 0.0000257900000000, 0.0016004500000000, 0.0019920800000000 ] - [ -0.0006501700000000, -0.0000823900000000, -0.0004184000000000 ] - [ 0.0000149500000000, 0.0000530100000000, -0.0001596100000000 ] - [ -0.0000188600000000, -0.0005018900000000, -0.0006506100000000 ] - [ 0.0001353000000000, 0.0003846200000000, 0.0009911600000000 ] - [ 0.0005857200000000, -0.0004965300000000, -0.0003222000000000 ] - [ 0.0003010400000000, 0.0000257000000000, 0.0008817800000000 ] - [ 0.0001020600000000, -0.0000328700000000, -0.0001489400000000 ] - [ 0.0013549200000000, -0.0007199900000000, 0.0012745800000000 ] - [ -0.0001056900000000, -0.0000386200000000, -0.0002240200000000 ] - [ 0.0000488700000000, 0.0001920400000000, 0.0004016100000000 ] - [ 0.0001456200000000, 0.0000955000000000, -0.0000073600000000 ] - [ -0.0000729800000000, -0.0001697200000000, -0.0004098500000000 ] - [ -0.0001605900000000, 0.0001498300000000, -0.0002534300000000 ] - [ -0.0000404400000000, -0.0000705400000000, -0.0005096200000000 ] - [ 0.0002054000000000, -0.0001536100000000, 0.0001444000000000 ] - [ 0.0000778100000000, -0.0001826000000000, -0.0001663800000000 ] - [ 0.0006624100000000, -0.0001559500000000, -0.0013090000000000 ] - [ -0.0000683500000000, -0.0000160800000000, -0.0001185700000000 ] - [ 0.0000246400000000, -0.0007141800000000, 0.0014210100000000 ] - [ 0.0003580700000000, -0.0002482000000000, -0.0002522500000000 ] - [ 0.0004387300000000, 0.0004428200000000, 0.0002729300000000 ] - [ 0.0000656200000000, -0.0000584200000000, 0.0001531300000000 ] - [ -0.0001087800000000, 0.0002021000000000, 0.0002739600000000 ] - [ 0.0000045900000000, 0.0001043600000000, -0.0003684700000000 ] - [ -0.0001778700000000, 0.0002613000000000, 0.0000238700000000 ] - [ -0.0000142400000000, -0.0000409000000000, -0.0000547600000000 ] - [ -0.0002889000000000, -0.0003021700000000, 0.0004017000000000 ] - [ 0.0002250000000000, -0.0000623800000000, -0.0004023500000000 ] - [ -0.0005673200000000, 0.0003926600000000, -0.0001522700000000 ] - [ -0.0000628300000000, -0.0003093100000000, 0.0004484300000000 ] - [ -0.0001326400000000, -0.0001477900000000, -0.0001863300000000 ] - [ 0.0001302500000000, 0.0002523100000000, -0.0000689900000000 ] - [ -0.0000644700000000, 0.0000330200000000, -0.0002845000000000 ] - [ -0.0003285100000000, 0.0002492400000000, -0.0004307100000000 ] - [ 0.0000366800000000, -0.0001570300000000, 0.0000370100000000 ] - [ 0.0000803500000000, -0.0000258100000000, 0.0001731300000000 ] - [ 0.0048439800000000, -0.0021089400000000, 0.0063957800000000 ] - [ 0.0000889100000000, -0.0001309100000000, 0.0000037000000000 ] - [ -0.0002334000000000, 0.0000826000000000, -0.0002291600000000 ] - [ 0.0048790200000000, -0.0013107500000000, 0.0045359900000000 ] - [ -0.0001522900000000, -0.0000736300000000, -0.0001714500000000 ] - [ 0.0003239000000000, -0.0000045200000000, -0.0003946600000000 ] - [ -0.0004855000000000, -0.0002966600000000, -0.0001133900000000 ] - [ -0.0001304100000000, 0.0001903100000000, 0.0002552300000000 ] - [ -0.0043835900000000, 0.0017911200000000, 0.0061449000000000 ] - [ -0.0041349300000000, 0.0020352800000000, 0.0040603600000000 ] - [ 0.0000427200000000, -0.0001764500000000, -0.0000576200000000 ] - [ -0.0000222800000000, -0.0001708900000000, -0.0000083500000000 ] - [ 0.0002495800000000, -0.0001016300000000, -0.0003570100000000 ] - [ 0.0000277500000000, 0.0000941400000000, -0.0002771800000000 ] - [ -0.0000161400000000, 0.0000157100000000, -0.0001941700000000 ] - [ -0.0000681700000000, -0.0000893400000000, 0.0000011900000000 ] - [ 0.0000591200000000, 0.0001121600000000, 0.0005564700000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0002005600000000, -0.0000022700000000, -0.0001180200000000 ] - [ 0.0000128200000000, -0.0002345600000000, 0.0001143600000000 ] - [ 0.0001242800000000, -0.0002202600000000, -0.0001127500000000 ] - [ 0.0006057600000000, 0.0002202000000000, 0.0003325600000000 ] - [ 0.0000026000000000, 0.0000081200000000, 0.0000525800000000 ] - [ -0.0000358500000000, 0.0000155200000000, 0.0001427600000000 ] - [ 0.0000736700000000, -0.0000144600000000, -0.0000878600000000 ] - [ 0.0003218000000000, 0.0005104800000000, -0.0005502000000000 ] - [ 0.0000511500000000, -0.0000072600000000, -0.0001932000000000 ] - [ 0.0000655400000000, -0.0000816900000000, 0.0003567600000000 ] - [ -0.0002657300000000, -0.0004864900000000, -0.0002174000000000 ] - [ -0.0002151800000000, 0.0003877600000000, 0.0004065500000000 ] - [ -0.0001218600000000, 0.0001195400000000, 0.0000920200000000 ] - [ -0.0001759000000000, 0.0002388600000000, -0.0000411700000000 ] - [ -0.0001503600000000, -0.0000416100000000, -0.0003353800000000 ] - [ 0.0001134600000000, -0.0001124300000000, -0.0000548300000000 ] - [ -0.0000120600000000, -0.0000413700000000, 0.0002485900000000 ] - [ -0.0000319700000000, 0.0000782500000000, 0.0000354600000000 ] - [ 0.0003440600000000, 0.0005751500000000, -0.0002660400000000 ] - [ -0.0000219100000000, 0.0000535900000000, -0.0001756200000000 ] - [ 0.0001220800000000, -0.0000313100000000, -0.0002549300000000 ] - [ 0.0001291800000000, -0.0001543100000000, 0.0000592800000000 ] - [ -0.0001942800000000, -0.0001601800000000, -0.0000196800000000 ] - [ -0.0001691100000000, 0.0005887600000000, 0.0000556500000000 ] - [ 0.0000597100000000, 0.0000568600000000, 0.0000126600000000 ] - [ 0.0005841200000000, 0.0000879300000000, 0.0005710100000000 ] - [ -0.0000038300000000, 0.0000831300000000, -0.0002541800000000 ] - [ -0.0000799300000000, -0.0006657600000000, 0.0005602100000000 ] - [ -0.0001057600000000, 0.0004095700000000, -0.0002486500000000 ] - [ -0.0000569400000000, -0.0004804300000000, -0.0000469600000000 ] - [ 0.0000099800000000, 0.0001908700000000, -0.0001599500000000 ] - [ 0.0003468500000000, -0.0030062700000000, 0.0014569700000000 ] - [ -0.0001172700000000, -0.0000233900000000, 0.0000947200000000 ] - [ 0.0002013100000000, 0.0006570000000000, 0.0047617700000000 ] - [ 0.0000736100000000, -0.0000083700000000, -0.0002958100000000 ] - [ 0.0000360200000000, -0.0000958700000000, 0.0001946400000000 ] - [ 0.0002165400000000, 0.0000026200000000, -0.0004592900000000 ] - [ 0.0001763600000000, -0.0005397500000000, -0.0000655000000000 ] - [ 0.0001142800000000, 0.0002616900000000, 0.0000137600000000 ] - [ -0.0001594500000000, -0.0001376800000000, -0.0002310300000000 ] - [ 0.0001670400000000, -0.0004124100000000, 0.0002856200000000 ] - [ -0.0001392100000000, 0.0000493600000000, -0.0000714200000000 ] - [ 0.0003116100000000, -0.0002747200000000, -0.0000179300000000 ] - [ 0.0001680000000000, 0.0000284500000000, -0.0001817800000000 ] - [ -0.0000292700000000, 0.0000143600000000, -0.0000868800000000 ] - [ -0.0000386500000000, -0.0000611800000000, 0.0005163500000000 ] - [ 0.0000161100000000, 0.0000720900000000, -0.0000351900000000 ] - [ 0.0001200100000000, 0.0000344300000000, -0.0002618900000000 ] - [ -0.0001521400000000, 0.0000936500000000, -0.0001909500000000 ] - [ 0.0011789200000000, 0.0027968300000000, 0.0010830200000000 ] - [ -0.0000372800000000, -0.0002860800000000, -0.0005272000000000 ] - [ 0.0000446600000000, 0.0000918500000000, -0.0001473400000000 ] - [ 0.0000715000000000, -0.0001136000000000, 0.0000197400000000 ] - [ 0.0004603100000000, 0.0009429400000000, -0.0014689100000000 ] - [ -0.0001958800000000, -0.0001636200000000, 0.0000880100000000 ] - [ -0.0000782900000000, -0.0000137300000000, -0.0000455000000000 ] - [ -0.0004265900000000, 0.0002823400000000, 0.0006039800000000 ] - [ -0.0000453800000000, 0.0001343800000000, -0.0001306700000000 ] - [ 0.0002076800000000, -0.0001110000000000, -0.0001226900000000 ] - [ -0.0000055800000000, 0.0001854500000000, -0.0000925600000000 ] - [ -0.0084483400000000, -0.0217792300000000, 0.0503720900000000 ] - [ 0.0000613600000000, -0.0000777400000000, -0.0000680400000000 ] - [ -0.0002140600000000, 0.0000638600000000, 0.0000058300000000 ] - [ -0.0000745900000000, -0.0000044000000000, -0.0000362600000000 ] - [ 0.0000210000000000, -0.0000982900000000, -0.0002242600000000 ] - [ 0.0109667300000000, 0.0252266300000000, -0.0312859700000000 ] - [ -0.0001113800000000, -0.0002542200000000, 0.0004459500000000 ] - [ -0.0000708000000000, 0.0000289200000000, -0.0002819800000000 ] - [ -0.0000349000000000, -0.0000509700000000, -0.0001787800000000 ] - [ -0.0010990100000000, -0.0025158600000000, -0.0011464100000000 ] - [ 0.0000555900000000, 0.0000259200000000, 0.0010575000000000 ] - [ 0.0000224000000000, -0.0000504100000000, -0.0000411300000000 ] - [ 0.0001733100000000, -0.0000222700000000, -0.0001267300000000 ] - [ -0.0008280500000000, -0.0023037600000000, -0.0009282500000000 ] - [ -0.0003236900000000, -0.0015091200000000, -0.0019523800000000 ] - [ 0.0003270700000000, -0.0000023700000000, 0.0003638000000000 ] - [ -0.0000704500000000, 0.0000817600000000, -0.0003803200000000 ] - [ -0.0000349200000000, 0.0003588000000000, 0.0011839900000000 ] - [ -0.0000772600000000, -0.0002404400000000, -0.0004599000000000 ] - [ -0.0005359000000000, 0.0003641300000000, -0.0002162100000000 ] - [ -0.0001523500000000, 0.0001571400000000, -0.0004633900000000 ] - [ 0.0000374700000000, -0.0001452700000000, -0.0002719100000000 ] - [ -0.0015138400000000, 0.0009064800000000, -0.0017212500000000 ] - [ -0.0000338900000000, -0.0001436600000000, 0.0006458500000000 ] - [ 0.0002824800000000, -0.0003462600000000, -0.0000901100000000 ] - [ 0.0001825800000000, 0.0000672000000000, -0.0003079100000000 ] - [ -0.0002568800000000, 0.0000111900000000, 0.0000977000000000 ] - [ -0.0001673600000000, 0.0000056400000000, 0.0005665900000000 ] - [ 0.0000974000000000, -0.0001912400000000, 0.0003543200000000 ] - [ -0.0001493500000000, 0.0004186400000000, 0.0000132500000000 ] - [ -0.0001318400000000, -0.0000822900000000, 0.0003270800000000 ] - [ -0.0007316800000000, 0.0004397100000000, 0.0011719600000000 ] - [ 0.0000557700000000, 0.0000466600000000, 0.0001017900000000 ] - [ -0.0000448400000000, 0.0006942800000000, -0.0014068300000000 ] - [ -0.0003617900000000, 0.0002956800000000, 0.0002977800000000 ] - [ -0.0004230000000000, -0.0004696200000000, -0.0002909800000000 ] - [ -0.0000450800000000, -0.0000275400000000, -0.0000146800000000 ] - [ 0.0001171200000000, -0.0000955000000000, -0.0004172700000000 ] - [ -0.0000245100000000, -0.0001947500000000, 0.0002304500000000 ] - [ 0.0001606600000000, -0.0001756400000000, 0.0001141800000000 ] - [ -0.0001071700000000, -0.0000627100000000, 0.0000950500000000 ] - [ 0.0001586700000000, 0.0004096800000000, -0.0004421400000000 ] - [ -0.0001021600000000, -0.0000457100000000, 0.0003616500000000 ] - [ 0.0007035100000000, -0.0002893600000000, 0.0001937600000000 ] - [ -0.0001468200000000, 0.0004264500000000, -0.0003043800000000 ] - [ -0.0000847900000000, 0.0000292000000000, 0.0000451600000000 ] - [ 0.0000841500000000, -0.0001293400000000, -0.0000779700000000 ] - [ 0.0002794900000000, -0.0001554900000000, 0.0004263000000000 ] - [ 0.0002433200000000, -0.0002995000000000, 0.0004394800000000 ] - [ -0.0001267300000000, 0.0002072100000000, -0.0000439200000000 ] - [ 0.0000067000000000, -0.0000167800000000, -0.0001779400000000 ] - [ -0.0046095900000000, 0.0020810000000000, -0.0062682700000000 ] - [ -0.0001235100000000, 0.0001527200000000, -0.0001340600000000 ] - [ 0.0001975000000000, -0.0001025000000000, 0.0003595000000000 ] - [ -0.0050019400000000, 0.0014123000000000, -0.0045368300000000 ] - [ 0.0001919800000000, 0.0000531900000000, 0.0000441600000000 ] - [ -0.0004369600000000, 0.0002510700000000, 0.0004365000000000 ] - [ 0.0003833900000000, 0.0000533300000000, 0.0000766900000000 ] - [ 0.0002463900000000, 0.0000557500000000, -0.0002941300000000 ] - [ 0.0043338200000000, -0.0019867800000000, -0.0059779500000000 ] - [ 0.0042071500000000, -0.0019062400000000, -0.0042457800000000 ] - [ -0.0001349900000000, 0.0000074700000000, 0.0001178500000000 ] - [ 0.0001152600000000, 0.0003483500000000, 0.0000671900000000 ] - [ -0.0001594100000000, -0.0000699000000000, 0.0002991000000000 ] - [ 0.0000130300000000, -0.0000779300000000, 0.0004615200000000 ] - [ 0.0000562900000000, -0.0000322700000000, 0.0000131500000000 ] - [ 0.0000262600000000, 0.0001113200000000, -0.0001837100000000 ] - [ -0.0000787900000000, -0.0001262500000000, -0.0003788400000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002785000000000, 0.0001119700000000, 0.0000949500000000 ] - [ -0.0000904200000000, -0.0000202000000000, -0.0000302500000000 ] - [ 0.0008110000000000, 0.0001003100000000, 0.0000933100000000 ] - [ 0.0001697900000000, 0.0001118300000000, 0.0001284400000000 ] - [ -0.0000235700000000, 0.0003315300000000, -0.0000076700000000 ] - [ 0.0000001600000000, 0.0000454700000000, 0.0001251100000000 ] - [ 0.0000799600000000, -0.0000322300000000, 0.0000317700000000 ] - [ 0.0000059200000000, 0.0000641100000000, 0.0000446700000000 ] - [ -0.0000285700000000, 0.0000628100000000, 0.0000050600000000 ] - [ 0.0000673400000000, -0.0000127100000000, 0.0000306700000000 ] - [ 0.0019564900000000, 0.0016750100000000, -0.0003514100000000 ] - [ -0.0001527900000000, 0.0002779000000000, 0.0000675900000000 ] - [ -0.0003140400000000, 0.0000136900000000, 0.0000994500000000 ] - [ -0.0001773400000000, -0.0000438900000000, 0.0000148600000000 ] - [ 0.0001487300000000, 0.0000686700000000, 0.0000717600000000 ] - [ 0.0002699800000000, -0.0001304700000000, -0.0000831100000000 ] - [ 0.0000028100000000, 0.0000476900000000, -0.0000567500000000 ] - [ 0.0002840500000000, 0.0000472300000000, -0.0000695800000000 ] - [ 0.0000002400000000, -0.0000173300000000, 0.0000334300000000 ] - [ -0.0001188400000000, 0.0000608900000000, -0.0001078600000000 ] - [ 0.0001582900000000, 0.0000207900000000, -0.0000771300000000 ] - [ 0.0000794500000000, -0.0000325200000000, 0.0000746600000000 ] - [ -0.0000395100000000, 0.0005546300000000, 0.0000015400000000 ] - [ -0.0000521300000000, -0.0000762200000000, -0.0002405200000000 ] - [ 0.0036514800000000, 0.0019521500000000, 0.0005034700000000 ] - [ -0.0000234300000000, 0.0000667500000000, -0.0000940300000000 ] - [ -0.0000591100000000, -0.0000004200000000, -0.0000164400000000 ] - [ -0.0000110800000000, -0.0000812100000000, 0.0000611800000000 ] - [ 0.0002439300000000, 0.0006201100000000, 0.0002014000000000 ] - [ -0.0000212500000000, -0.0000486300000000, -0.0001694800000000 ] - [ -0.0005099100000000, -0.0000383500000000, 0.0002245200000000 ] - [ 0.0000507700000000, -0.0002001200000000, 0.0000280600000000 ] - [ 0.0137877300000000, -0.0091034300000000, -0.0085424700000000 ] - [ -0.0000963700000000, 0.0000364200000000, -0.0001082900000000 ] - [ 0.0001332800000000, -0.0000704800000000, -0.0000858900000000 ] - [ 0.0000493600000000, 0.0000407000000000, 0.0000087700000000 ] - [ 0.0001992900000000, 0.0000169500000000, -0.0000120300000000 ] - [ 0.0001225100000000, -0.0000382900000000, 0.0001019800000000 ] - [ -0.0001700500000000, 0.0001315100000000, 0.0001284500000000 ] - [ -0.0002125000000000, -0.0001083200000000, -0.0002444200000000 ] - [ -0.0001401500000000, 0.0000086300000000, -0.0000349800000000 ] - [ 0.0003823600000000, -0.0001862800000000, 0.0004228300000000 ] - [ 0.0001573400000000, -0.0000658500000000, 0.0000396500000000 ] - [ 0.0000725000000000, 0.0000550400000000, -0.0000583200000000 ] - [ 0.0000416400000000, -0.0001043100000000, -0.0001190800000000 ] - [ 0.0000192300000000, 0.0002906800000000, -0.0000486100000000 ] - [ -0.0001197900000000, -0.0001639300000000, 0.0003196200000000 ] - [ 0.0000040400000000, 0.0000579600000000, -0.0001865500000000 ] - [ -0.0003882900000000, 0.0003795400000000, 0.0000514800000000 ] - [ -0.0000664800000000, -0.0000408000000000, 0.0001246700000000 ] - [ 0.0000495300000000, -0.0000329900000000, 0.0002161300000000 ] - [ 0.0014942600000000, 0.0000325100000000, -0.0006885600000000 ] - [ 0.0010601000000000, -0.0000810400000000, 0.0002541200000000 ] - [ 0.0000974800000000, 0.0000779900000000, 0.0000200800000000 ] - [ -0.0000748600000000, -0.0000527100000000, 0.0000415600000000 ] - [ -0.0001424800000000, -0.0000759700000000, 0.0002635800000000 ] - [ -0.0000767400000000, 0.0000112600000000, 0.0001479400000000 ] - [ -0.0001997700000000, 0.0001490500000000, -0.0002048400000000 ] - [ 0.0000961500000000, -0.0001340900000000, -0.0001568700000000 ] - [ 0.0000208100000000, 0.0000951600000000, 0.0002135700000000 ] - [ 0.0000892700000000, 0.0000807600000000, 0.0001227500000000 ] - [ 0.0148791200000000, -0.0128775800000000, 0.0110574000000000 ] - [ -0.0001071600000000, 0.0000263400000000, -0.0000337000000000 ] - [ -0.0000499800000000, -0.0001102900000000, 0.0000722500000000 ] - [ -0.0550658500000000, 0.0161454400000000, -0.0035624600000000 ] - [ 0.0000324800000000, 0.0000816100000000, 0.0001990600000000 ] - [ -0.0000608800000000, -0.0000742200000000, 0.0002307800000000 ] - [ -0.0000300000000000, 0.0000035600000000, -0.0001902400000000 ] - [ 0.0001491000000000, -0.0003830100000000, -0.0007960200000000 ] - [ -0.0000106800000000, 0.0000327800000000, 0.0001253100000000 ] - [ 0.0000415300000000, 0.0000139000000000, 0.0000834400000000 ] - [ 0.0001995300000000, -0.0001470900000000, -0.0001418900000000 ] - [ 0.0003140500000000, -0.0002374700000000, -0.0001473600000000 ] - [ 0.0001746500000000, -0.0000268600000000, 0.0000393700000000 ] - [ -0.0000093500000000, -0.0000186700000000, -0.0001420400000000 ] - [ -0.0000704600000000, -0.0000375500000000, 0.0002971100000000 ] - [ -0.0004159300000000, 0.0000216700000000, -0.0007386700000000 ] - [ -0.0000314800000000, -0.0000861300000000, 0.0002638000000000 ] - [ 0.0003583800000000, 0.0004459300000000, 0.0002099700000000 ] - [ -0.0000910900000000, 0.0000857300000000, 0.0000363800000000 ] - [ -0.0000321500000000, -0.0001514900000000, 0.0004210600000000 ] - [ -0.0004896000000000, -0.0004425300000000, 0.0004022000000000 ] - [ -0.0000810300000000, 0.0001030300000000, -0.0002533900000000 ] - [ 0.0001156800000000, 0.0001123300000000, 0.0000575800000000 ] - [ 0.0004516400000000, -0.0003603200000000, 0.0001392100000000 ] - [ 0.0001322000000000, 0.0000311000000000, -0.0000468900000000 ] - [ -0.0003048800000000, -0.0000612200000000, -0.0001273100000000 ] - [ -0.0000968200000000, 0.0000459700000000, -0.0000347900000000 ] - [ -0.0000664400000000, -0.0002162100000000, -0.0002877500000000 ] - [ -0.0000147000000000, 0.0000513600000000, 0.0001903800000000 ] - [ 0.0003451300000000, -0.0003518800000000, 0.0004294100000000 ] - [ -0.0001231000000000, 0.0000611300000000, -0.0001234500000000 ] - [ 0.0000946100000000, -0.0000257900000000, 0.0001966500000000 ] - [ -0.0000218300000000, -0.0000016600000000, 0.0000109000000000 ] - [ -0.0003518700000000, -0.0007979100000000, -0.0006255800000000 ] - [ -0.0001254100000000, -0.0002974200000000, -0.0001788000000000 ] - [ 0.0020177500000000, 0.0034585300000000, 0.0001826100000000 ] - [ 0.0000470700000000, 0.0000677000000000, -0.0001171800000000 ] - [ -0.0000397900000000, -0.0000669100000000, -0.0000899800000000 ] - [ 0.0000827000000000, 0.0000435400000000, 0.0000517300000000 ] - [ -0.0012468200000000, -0.0002737000000000, -0.0010345600000000 ] - [ -0.0000196300000000, 0.0000680900000000, -0.0000041800000000 ] - [ -0.0000118100000000, -0.0000990100000000, 0.0000327900000000 ] - [ -0.0000902100000000, 0.0000429800000000, -0.0001570300000000 ] - [ -0.0001437600000000, -0.0000005900000000, 0.0000471500000000 ] - [ 0.0002433500000000, -0.0004806300000000, -0.0000867500000000 ] - [ 0.0002529300000000, 0.0001869900000000, -0.0001460100000000 ] - [ 0.0000310700000000, -0.0001590700000000, 0.0001333300000000 ] - [ -0.0000585000000000, -0.0000158200000000, -0.0000380000000000 ] - [ -0.0000692400000000, 0.0000407700000000, 0.0000250300000000 ] - [ 0.0078941100000000, -0.0011701800000000, -0.0007677700000000 ] - [ -0.0000307500000000, -0.0001583300000000, -0.0000689300000000 ] - [ -0.0001287200000000, 0.0000258800000000, 0.0000243400000000 ] - [ -0.0000986300000000, -0.0000363300000000, 0.0000975900000000 ] - [ 0.0000962700000000, 0.0000070900000000, 0.0000317400000000 ] - [ -0.0010095700000000, -0.0000382100000000, 0.0008899900000000 ] - [ -0.0001062600000000, 0.0001147800000000, 0.0000127900000000 ] - [ 0.0000262600000000, -0.0001326000000000, -0.0000670500000000 ] - [ 0.0022098700000000, 0.0041526100000000, -0.0000097500000000 ] - [ 0.0001548600000000, -0.0001254100000000, 0.0000386100000000 ] - [ -0.0000886200000000, 0.0000104600000000, -0.0000634600000000 ] - [ 0.0005179200000000, -0.0004307600000000, 0.0003900200000000 ] - [ 0.0001207300000000, 0.0001806900000000, 0.0000789200000000 ] - [ 0.0000124400000000, -0.0001968100000000, -0.0000418200000000 ] - [ 0.0000117300000000, -0.0000091900000000, 0.0001267900000000 ] - [ -0.0000100800000000, 0.0000250100000000, -0.0001845400000000 ] - [ 0.0076415600000000, -0.0021134500000000, 0.0008873700000000 ] - [ -0.0001149400000000, -0.0001796600000000, 0.0001763500000000 ]- atom: 65 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000346600000000, -0.0001084400000000, -0.0000435100000000 ] - [ -0.0001539400000000, 0.0000142500000000, -0.0000230400000000 ] - [ -0.0005800700000000, -0.0001008800000000, -0.0001474000000000 ] - [ 0.0000714600000000, -0.0001155900000000, -0.0000709000000000 ] - [ -0.0000304100000000, -0.0004033600000000, -0.0000228700000000 ] - [ -0.0000553000000000, 0.0000215800000000, -0.0000993400000000 ] - [ -0.0000264700000000, -0.0000339300000000, -0.0000025100000000 ] - [ 0.0000485800000000, 0.0000015800000000, -0.0000737100000000 ] - [ 0.0001428800000000, -0.0000874000000000, -0.0000429700000000 ] - [ 0.0000480900000000, 0.0000377900000000, 0.0000049600000000 ] - [ -0.0021094700000000, -0.0017360300000000, 0.0003880200000000 ] - [ 0.0000387100000000, -0.0002558200000000, -0.0001028200000000 ] - [ 0.0000106200000000, 0.0001318400000000, -0.0000273400000000 ] - [ -0.0001154500000000, -0.0001043300000000, -0.0000794100000000 ] - [ 0.0001444200000000, 0.0000786900000000, -0.0001383800000000 ] - [ 0.0000250000000000, -0.0000194800000000, 0.0001497400000000 ] - [ 0.0000032900000000, -0.0000637800000000, 0.0000192200000000 ] - [ -0.0002746500000000, -0.0000344400000000, 0.0001110400000000 ] - [ -0.0000051600000000, 0.0000050500000000, 0.0000101900000000 ] - [ 0.0001147400000000, -0.0000476600000000, 0.0000623300000000 ] - [ 0.0000122000000000, 0.0000677500000000, -0.0000867800000000 ] - [ 0.0000899100000000, -0.0000552900000000, 0.0000892800000000 ] - [ -0.0001288100000000, -0.0004612600000000, 0.0001614700000000 ] - [ -0.0001168600000000, -0.0000131900000000, 0.0000734600000000 ] - [ -0.0035317400000000, -0.0018041700000000, -0.0004551400000000 ] - [ 0.0000798800000000, -0.0001794500000000, 0.0000403200000000 ] - [ 0.0000021900000000, 0.0001168000000000, -0.0000408200000000 ] - [ -0.0000465700000000, -0.0000332100000000, -0.0000068000000000 ] - [ -0.0002930800000000, -0.0001949500000000, -0.0001815300000000 ] - [ -0.0000234300000000, -0.0003637100000000, 0.0001600900000000 ] - [ 0.0005542000000000, 0.0004601300000000, -0.0002414000000000 ] - [ -0.0000037300000000, -0.0002102600000000, -0.0000180200000000 ] - [ -0.0138822100000000, 0.0092071600000000, 0.0087834700000000 ] - [ -0.0000608900000000, -0.0000162500000000, -0.0000659000000000 ] - [ 0.0000245600000000, 0.0000527200000000, -0.0000915700000000 ] - [ 0.0001075900000000, -0.0000212500000000, 0.0001644000000000 ] - [ 0.0000816800000000, 0.0000987600000000, -0.0003194600000000 ] - [ 0.0001601600000000, -0.0000756900000000, 0.0002276400000000 ] - [ -0.0001154200000000, -0.0000163300000000, 0.0002045900000000 ] - [ -0.0000627200000000, -0.0000047500000000, -0.0000809700000000 ] - [ -0.0001338400000000, -0.0000968600000000, 0.0000319800000000 ] - [ -0.0006473100000000, 0.0002649100000000, -0.0004036300000000 ] - [ 0.0001192200000000, -0.0000224100000000, -0.0000328300000000 ] - [ 0.0002018000000000, 0.0000339800000000, 0.0000527800000000 ] - [ -0.0000635700000000, 0.0000280800000000, -0.0002892800000000 ] - [ -0.0000269700000000, -0.0002140600000000, 0.0004538700000000 ] - [ 0.0001334300000000, 0.0000846800000000, 0.0000829700000000 ] - [ 0.0000093200000000, 0.0000200400000000, -0.0002168200000000 ] - [ 0.0002641800000000, -0.0003279500000000, -0.0003663100000000 ] - [ -0.0000587800000000, -0.0000085700000000, 0.0001893000000000 ] - [ 0.0000755900000000, 0.0000807300000000, 0.0000976700000000 ] - [ -0.0013542100000000, -0.0000856000000000, 0.0003168500000000 ] - [ -0.0009229700000000, -0.0000199200000000, -0.0003323800000000 ] - [ 0.0000589300000000, 0.0000411400000000, 0.0000093100000000 ] - [ -0.0000822500000000, -0.0000652400000000, -0.0000117900000000 ] - [ -0.0000130300000000, 0.0001905600000000, -0.0002899200000000 ] - [ -0.0000343200000000, -0.0002259400000000, 0.0001974500000000 ] - [ 0.0000842600000000, 0.0000624100000000, -0.0001409700000000 ] - [ 0.0000160700000000, -0.0000808300000000, -0.0001863000000000 ] - [ 0.0000913500000000, 0.0001192200000000, 0.0001280900000000 ] - [ 0.0001131900000000, 0.0000366100000000, 0.0001029300000000 ] - [ -0.0147477100000000, 0.0126066000000000, -0.0112052200000000 ] - [ -0.0000954400000000, 0.0000918800000000, -0.0001932500000000 ] - [ -0.0001533900000000, -0.0000103200000000, 0.0001500300000000 ] - [ 0.0550950700000000, -0.0162717600000000, 0.0032097800000000 ] - [ 0.0000290800000000, 0.0000720600000000, 0.0002096200000000 ] - [ -0.0000009900000000, -0.0000785400000000, 0.0001812700000000 ] - [ -0.0000317800000000, 0.0001495100000000, -0.0002174200000000 ] - [ -0.0002199900000000, 0.0003489300000000, 0.0005608100000000 ] - [ -0.0000568500000000, 0.0000036100000000, 0.0000985500000000 ] - [ 0.0000257000000000, -0.0000503400000000, 0.0001394300000000 ] - [ -0.0001280200000000, 0.0001778200000000, -0.0000703300000000 ] - [ 0.0000093500000000, 0.0003255800000000, 0.0000935300000000 ] - [ 0.0001480400000000, -0.0000598100000000, 0.0000133700000000 ] - [ -0.0003061300000000, 0.0001064100000000, 0.0001937900000000 ] - [ -0.0002555600000000, -0.0000492700000000, -0.0003432100000000 ] - [ 0.0003661300000000, 0.0000993900000000, 0.0001803700000000 ] - [ -0.0000236200000000, -0.0000509600000000, 0.0002763100000000 ] - [ -0.0003035600000000, -0.0003213500000000, 0.0003341000000000 ] - [ 0.0001471200000000, -0.0002255900000000, -0.0005794400000000 ] - [ 0.0001693700000000, 0.0003312500000000, -0.0000030400000000 ] - [ 0.0006437100000000, 0.0002652300000000, -0.0008090100000000 ] - [ -0.0000591300000000, 0.0000771800000000, -0.0001684800000000 ] - [ -0.0002614300000000, -0.0002946100000000, 0.0003705100000000 ] - [ -0.0001249700000000, 0.0002034800000000, 0.0001675700000000 ] - [ 0.0002037400000000, 0.0001289900000000, -0.0002580900000000 ] - [ -0.0000254100000000, -0.0000954900000000, -0.0001866600000000 ] - [ -0.0002320400000000, 0.0001128000000000, 0.0003482900000000 ] - [ 0.0001264500000000, -0.0000489400000000, 0.0001202100000000 ] - [ 0.0000691200000000, 0.0002105000000000, -0.0000297200000000 ] - [ -0.0003995100000000, 0.0000840800000000, -0.0002747000000000 ] - [ 0.0000573400000000, 0.0001978600000000, -0.0000372800000000 ] - [ -0.0001023700000000, 0.0000574500000000, -0.0002027100000000 ] - [ 0.0000074000000000, -0.0000284800000000, 0.0000063300000000 ] - [ 0.0003540700000000, 0.0008441200000000, 0.0006580100000000 ] - [ 0.0001426800000000, 0.0002717900000000, 0.0001602900000000 ] - [ -0.0020035700000000, -0.0034861600000000, -0.0000585600000000 ] - [ -0.0000282400000000, 0.0000196800000000, -0.0000226700000000 ] - [ 0.0000211900000000, -0.0000206300000000, -0.0000489800000000 ] - [ -0.0001022800000000, 0.0000456400000000, 0.0000883100000000 ] - [ 0.0011234300000000, 0.0001697400000000, 0.0010820500000000 ] - [ -0.0001008800000000, 0.0000367000000000, -0.0000354900000000 ] - [ 0.0001384400000000, -0.0000027800000000, -0.0000756500000000 ] - [ 0.0002177400000000, 0.0000645000000000, 0.0001960800000000 ] - [ -0.0000727400000000, 0.0001227500000000, 0.0000965500000000 ] - [ -0.0004631100000000, 0.0003603500000000, -0.0000504400000000 ] - [ -0.0000427500000000, -0.0000700600000000, 0.0000031400000000 ] - [ 0.0001825800000000, 0.0000382800000000, 0.0000118900000000 ] - [ -0.0000299500000000, -0.0000313200000000, 0.0000445900000000 ] - [ -0.0000202800000000, 0.0000049900000000, -0.0000303300000000 ] - [ -0.0075282700000000, 0.0010278400000000, 0.0007056800000000 ] - [ 0.0001182100000000, 0.0002039300000000, 0.0000726300000000 ] - [ 0.0000850800000000, -0.0000088000000000, -0.0001549100000000 ] - [ 0.0000548000000000, 0.0000156800000000, 0.0000315100000000 ] - [ -0.0000609200000000, 0.0000124400000000, 0.0000979000000000 ] - [ 0.0010440000000000, 0.0000224200000000, -0.0010159800000000 ] - [ -0.0000032500000000, 0.0001302800000000, 0.0000255000000000 ] - [ -0.0001344500000000, -0.0001137400000000, 0.0000300100000000 ] - [ -0.0021052300000000, -0.0039748000000000, -0.0000412800000000 ] - [ -0.0000482100000000, -0.0001180700000000, -0.0000000500000000 ] - [ -0.0000032500000000, 0.0001598500000000, 0.0000050900000000 ] - [ -0.0006084700000000, 0.0002537000000000, -0.0003235300000000 ] - [ -0.0000234600000000, -0.0000066400000000, -0.0000198200000000 ] - [ 0.0000821400000000, 0.0000239500000000, -0.0000160000000000 ] - [ 0.0000281900000000, 0.0000275500000000, 0.0000562800000000 ] - [ 0.0000505700000000, -0.0000424900000000, 0.0000026800000000 ] - [ -0.0079173600000000, 0.0022439400000000, -0.0011342600000000 ] - [ 0.0000752900000000, 0.0001620400000000, 0.0000038500000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000309400000000, -0.0000092700000000, -0.0001479100000000 ] - [ -0.0001259700000000, 0.0000094500000000, -0.0000000700000000 ] - [ 0.0005867900000000, -0.0000451000000000, -0.0000538500000000 ] - [ -0.0001679800000000, -0.0001701900000000, 0.0001478400000000 ] - [ -0.0000782000000000, -0.0000132300000000, 0.0000325200000000 ] - [ 0.0000850400000000, 0.0000066400000000, -0.0000424200000000 ] - [ 0.0001001900000000, -0.0001875700000000, 0.0001324800000000 ] - [ 0.0000714900000000, 0.0000151300000000, -0.0001480500000000 ] - [ 0.0001817600000000, 0.0001267100000000, 0.0000208700000000 ] - [ 0.0000612900000000, 0.0000820900000000, 0.0000060500000000 ] - [ 0.0004002500000000, 0.0006124000000000, 0.0000795200000000 ] - [ 0.0000845400000000, -0.0005329100000000, -0.0002101200000000 ] - [ -0.0001688000000000, 0.0001157000000000, 0.0001265500000000 ] - [ -0.0001052400000000, -0.0000474900000000, -0.0001358800000000 ] - [ 0.0001153800000000, 0.0001175700000000, -0.0002613900000000 ] - [ 0.0001567500000000, 0.0000712000000000, -0.0000575500000000 ] - [ -0.0001150700000000, -0.0001026300000000, -0.0001375700000000 ] - [ 0.0003236600000000, 0.0000478500000000, 0.0001834700000000 ] - [ 0.0000351900000000, -0.0000347500000000, -0.0000296000000000 ] - [ 0.0000752700000000, -0.0000511900000000, 0.0000688400000000 ] - [ 0.0001836700000000, -0.0001166900000000, -0.0002094100000000 ] - [ 0.0001100100000000, -0.0000280100000000, 0.0001270600000000 ] - [ -0.0000087900000000, 0.0001279700000000, 0.0001292500000000 ] - [ -0.0000354500000000, -0.0001166200000000, -0.0000462200000000 ] - [ 0.0019822800000000, 0.0002134100000000, 0.0003650400000000 ] - [ 0.0001351000000000, -0.0002778200000000, 0.0001219800000000 ] - [ 0.0000074100000000, 0.0003654200000000, -0.0002086900000000 ] - [ -0.0000407100000000, -0.0000323900000000, -0.0000307600000000 ] - [ 0.0000392000000000, 0.0004782800000000, 0.0002459300000000 ] - [ -0.0001012600000000, -0.0005815700000000, 0.0003143500000000 ] - [ -0.0001230700000000, 0.0007937100000000, -0.0012516500000000 ] - [ 0.0000301200000000, -0.0002136300000000, -0.0000281000000000 ] - [ -0.0087007000000000, 0.0320798900000000, 0.0210344200000000 ] - [ -0.0000018300000000, -0.0000291700000000, -0.0000803400000000 ] - [ 0.0000067700000000, -0.0000110200000000, -0.0000841400000000 ] - [ 0.0001155800000000, -0.0000880700000000, 0.0002584000000000 ] - [ 0.0000859800000000, 0.0002291800000000, -0.0001284500000000 ] - [ 0.0001667200000000, -0.0000688600000000, 0.0003192500000000 ] - [ -0.0001961500000000, 0.0000848900000000, 0.0002836000000000 ] - [ -0.0001682300000000, -0.0000717500000000, -0.0001872800000000 ] - [ -0.0001553600000000, -0.0001407200000000, 0.0000544500000000 ] - [ 0.0002197400000000, 0.0001795200000000, -0.0001364200000000 ] - [ 0.0002135500000000, -0.0000013700000000, -0.0000770700000000 ] - [ 0.0001219500000000, 0.0000626000000000, 0.0000420600000000 ] - [ -0.0000485300000000, -0.0000525700000000, -0.0002285100000000 ] - [ -0.0002982400000000, -0.0005959100000000, 0.0006038700000000 ] - [ 0.0002400100000000, 0.0002474300000000, -0.0001320000000000 ] - [ 0.0000621400000000, 0.0000264200000000, -0.0002612600000000 ] - [ 0.0002694500000000, -0.0009504600000000, -0.0005563500000000 ] - [ -0.0000760500000000, -0.0000263100000000, 0.0001346500000000 ] - [ 0.0000819300000000, 0.0000692800000000, 0.0002207300000000 ] - [ 0.0001080700000000, 0.0013050400000000, 0.0010020800000000 ] - [ 0.0000466700000000, 0.0010632800000000, -0.0002354800000000 ] - [ 0.0000638600000000, 0.0000662600000000, -0.0000063400000000 ] - [ -0.0000711400000000, -0.0000766400000000, -0.0000035600000000 ] - [ -0.0003151400000000, 0.0001726300000000, -0.0006501500000000 ] - [ -0.0000935400000000, -0.0002072400000000, 0.0001277300000000 ] - [ -0.0000197600000000, 0.0001793300000000, 0.0000271300000000 ] - [ 0.0000503400000000, -0.0001043500000000, -0.0002291100000000 ] - [ 0.0001365200000000, 0.0001445700000000, 0.0000794500000000 ] - [ 0.0001518100000000, 0.0000267700000000, 0.0001313200000000 ] - [ -0.0114140700000000, 0.0376250200000000, -0.0251002500000000 ] - [ -0.0001194900000000, 0.0001137400000000, -0.0002855800000000 ] - [ -0.0001995200000000, -0.0000902900000000, 0.0000635500000000 ] - [ 0.0161781600000000, -0.0872723200000000, 0.0021250200000000 ] - [ 0.0000254300000000, 0.0000420800000000, 0.0001915400000000 ] - [ -0.0000325300000000, 0.0000519700000000, 0.0002312500000000 ] - [ -0.0001035300000000, 0.0002251300000000, -0.0002225900000000 ] - [ -0.0004038000000000, 0.0007587800000000, 0.0014234600000000 ] - [ -0.0000275900000000, 0.0000477000000000, 0.0001037900000000 ] - [ 0.0000459700000000, -0.0000464900000000, 0.0001169400000000 ] - [ -0.0000543300000000, 0.0003317400000000, 0.0000692800000000 ] - [ -0.0001707400000000, 0.0006515200000000, 0.0003740100000000 ] - [ 0.0001525800000000, -0.0000266900000000, 0.0000169900000000 ] - [ -0.0000572500000000, 0.0000394200000000, 0.0000513000000000 ] - [ -0.0007165100000000, -0.0003852700000000, -0.0006358700000000 ] - [ -0.0003605400000000, 0.0013001600000000, 0.0018920900000000 ] - [ -0.0000222400000000, -0.0000494800000000, 0.0002756300000000 ] - [ 0.0000320300000000, 0.0002501600000000, 0.0001208700000000 ] - [ 0.0001369600000000, -0.0004365700000000, -0.0008886700000000 ] - [ 0.0003709600000000, 0.0005387300000000, -0.0001849200000000 ] - [ -0.0002826000000000, -0.0000386000000000, -0.0000591500000000 ] - [ -0.0001159700000000, 0.0001078500000000, -0.0001059700000000 ] - [ -0.0006464200000000, -0.0004659900000000, 0.0005550800000000 ] - [ 0.0002193300000000, 0.0001685600000000, 0.0004784300000000 ] - [ 0.0000345800000000, 0.0000927300000000, -0.0002064300000000 ] - [ -0.0002935500000000, -0.0000967300000000, -0.0000817100000000 ] - [ -0.0002939700000000, 0.0001017800000000, 0.0006071500000000 ] - [ -0.0001104300000000, -0.0000561100000000, -0.0000498200000000 ] - [ 0.0001575700000000, 0.0002914600000000, -0.0001985400000000 ] - [ 0.0000101600000000, -0.0003374100000000, -0.0002962200000000 ] - [ -0.0001342500000000, 0.0001786800000000, 0.0000162800000000 ] - [ -0.0007489800000000, -0.0004418500000000, -0.0006110300000000 ] - [ -0.0000289300000000, -0.0000564300000000, 0.0000073300000000 ] - [ -0.0004594300000000, -0.0002292500000000, -0.0002201200000000 ] - [ 0.0006074000000000, 0.0006487300000000, 0.0004289500000000 ] - [ 0.0040051700000000, 0.0051418600000000, -0.0013681000000000 ] - [ -0.0000893400000000, 0.0000850000000000, -0.0000840700000000 ] - [ 0.0001080000000000, 0.0000232900000000, -0.0000108900000000 ] - [ -0.0001607500000000, 0.0000793500000000, 0.0002216900000000 ] - [ 0.0008901200000000, 0.0010770500000000, 0.0012065400000000 ] - [ -0.0001532800000000, 0.0000245200000000, -0.0000606300000000 ] - [ 0.0002452700000000, 0.0000009100000000, -0.0001316900000000 ] - [ 0.0004502000000000, 0.0001063000000000, 0.0003302900000000 ] - [ -0.0000845500000000, 0.0001543300000000, 0.0001537000000000 ] - [ -0.0019390700000000, -0.0004092100000000, 0.0013868500000000 ] - [ -0.0002890300000000, -0.0002195100000000, 0.0002000100000000 ] - [ 0.0000484200000000, -0.0001663500000000, 0.0001396200000000 ] - [ -0.0000401700000000, -0.0001245800000000, 0.0000698100000000 ] - [ 0.0000704100000000, 0.0001497700000000, -0.0000218100000000 ] - [ -0.0018441700000000, -0.0002665400000000, 0.0007000600000000 ] - [ 0.0000099300000000, 0.0000465800000000, -0.0000930900000000 ] - [ 0.0002369500000000, -0.0000103400000000, -0.0002233800000000 ] - [ 0.0002006300000000, 0.0000745700000000, 0.0001883700000000 ] - [ -0.0001713100000000, 0.0000715600000000, 0.0001665900000000 ] - [ 0.0011943500000000, 0.0011092600000000, -0.0013658900000000 ] - [ 0.0001405500000000, 0.0000957300000000, 0.0000013000000000 ] - [ -0.0001820500000000, -0.0001323800000000, -0.0000583900000000 ] - [ 0.0046780300000000, 0.0060562900000000, 0.0011485300000000 ] - [ -0.0002051200000000, -0.0000158100000000, -0.0001014400000000 ] - [ -0.0000308200000000, 0.0002008900000000, 0.0000113900000000 ] - [ -0.0016856700000000, -0.0006549500000000, -0.0015064600000000 ] - [ -0.0001368200000000, -0.0000671400000000, -0.0000961700000000 ] - [ 0.0000680900000000, -0.0001940900000000, -0.0000840800000000 ] - [ -0.0000167900000000, -0.0000317400000000, 0.0000465800000000 ] - [ 0.0001038400000000, 0.0000458200000000, 0.0000053900000000 ] - [ -0.0023320800000000, 0.0000283500000000, -0.0012304700000000 ] - [ 0.0000143300000000, 0.0000496200000000, 0.0000326000000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002667900000000, 0.0000106700000000, 0.0002028100000000 ] - [ -0.0001125900000000, -0.0000125400000000, -0.0000493600000000 ] - [ -0.0003495500000000, 0.0000501300000000, 0.0000029000000000 ] - [ 0.0004108700000000, 0.0001674700000000, -0.0001030100000000 ] - [ 0.0000276000000000, -0.0000532900000000, -0.0000610000000000 ] - [ -0.0001344700000000, 0.0000645300000000, 0.0000680300000000 ] - [ -0.0000497600000000, 0.0001164000000000, -0.0001043400000000 ] - [ -0.0000208600000000, 0.0000576900000000, 0.0001227200000000 ] - [ -0.0000767600000000, -0.0001400200000000, -0.0000450000000000 ] - [ 0.0000487100000000, -0.0000568300000000, 0.0000332600000000 ] - [ -0.0004948600000000, -0.0006252500000000, -0.0000474100000000 ] - [ -0.0001959400000000, 0.0005644600000000, 0.0001742600000000 ] - [ -0.0001349400000000, 0.0000304800000000, -0.0000639700000000 ] - [ -0.0001941700000000, -0.0001032600000000, 0.0000683800000000 ] - [ 0.0001836800000000, 0.0000333300000000, 0.0001983300000000 ] - [ 0.0001417100000000, -0.0002200500000000, 0.0001247100000000 ] - [ 0.0001330200000000, 0.0000824400000000, 0.0000872700000000 ] - [ -0.0003042900000000, -0.0000330000000000, -0.0001422200000000 ] - [ -0.0000546400000000, 0.0000145400000000, 0.0000742100000000 ] - [ -0.0000973600000000, 0.0000743200000000, -0.0001094200000000 ] - [ -0.0000077100000000, 0.0002082900000000, 0.0000437900000000 ] - [ 0.0000646200000000, -0.0000661800000000, 0.0000398900000000 ] - [ -0.0001683100000000, -0.0000395600000000, 0.0000361000000000 ] - [ -0.0001408900000000, 0.0000245500000000, -0.0001191300000000 ] - [ -0.0019602600000000, -0.0001181400000000, -0.0003221300000000 ] - [ -0.0000936900000000, 0.0001661900000000, -0.0001765000000000 ] - [ -0.0000447300000000, -0.0002604600000000, 0.0001597400000000 ] - [ -0.0000006900000000, -0.0000763300000000, 0.0000871400000000 ] - [ -0.0000844600000000, -0.0000663000000000, -0.0002401400000000 ] - [ 0.0000538800000000, 0.0001629200000000, -0.0003138400000000 ] - [ 0.0001656700000000, -0.0004193600000000, 0.0012893000000000 ] - [ 0.0000151400000000, -0.0001971800000000, 0.0000325700000000 ] - [ 0.0079532300000000, -0.0309511600000000, -0.0197977400000000 ] - [ -0.0001585700000000, 0.0000440100000000, -0.0000964900000000 ] - [ 0.0001519400000000, -0.0000034000000000, -0.0000923700000000 ] - [ 0.0000439100000000, 0.0001038800000000, -0.0000788000000000 ] - [ 0.0001914500000000, -0.0001163100000000, -0.0002025700000000 ] - [ 0.0001116900000000, -0.0000480500000000, 0.0000152000000000 ] - [ -0.0000796900000000, 0.0000290800000000, 0.0000466700000000 ] - [ -0.0001033800000000, -0.0000391000000000, -0.0001459000000000 ] - [ -0.0001218500000000, 0.0000444600000000, -0.0000505800000000 ] - [ -0.0004957900000000, -0.0000875000000000, 0.0001337300000000 ] - [ 0.0000634400000000, -0.0000926700000000, 0.0000752600000000 ] - [ 0.0001537000000000, 0.0000303000000000, -0.0000393100000000 ] - [ 0.0000326500000000, -0.0000280000000000, -0.0001735400000000 ] - [ 0.0002823100000000, 0.0006591100000000, -0.0002022000000000 ] - [ -0.0002245000000000, -0.0003217900000000, 0.0005305800000000 ] - [ -0.0000495700000000, 0.0000527600000000, -0.0001351000000000 ] - [ -0.0004083100000000, 0.0010254500000000, 0.0002623100000000 ] - [ -0.0000545600000000, -0.0000311200000000, 0.0001760400000000 ] - [ 0.0000480100000000, -0.0000124200000000, 0.0000871500000000 ] - [ 0.0000264700000000, -0.0013941400000000, -0.0013564000000000 ] - [ 0.0001111100000000, -0.0011500600000000, 0.0001762400000000 ] - [ 0.0000918500000000, 0.0000473200000000, 0.0000314600000000 ] - [ -0.0000852000000000, -0.0000355400000000, 0.0000310000000000 ] - [ 0.0001627000000000, -0.0000691400000000, 0.0006291400000000 ] - [ -0.0000208700000000, -0.0000127900000000, 0.0002070300000000 ] - [ -0.0000987000000000, 0.0000339700000000, -0.0003685900000000 ] - [ 0.0000638100000000, -0.0001140400000000, -0.0001063300000000 ] - [ -0.0000224900000000, 0.0000743500000000, 0.0002615200000000 ] - [ 0.0000517600000000, 0.0000949700000000, 0.0000894400000000 ] - [ 0.0123665700000000, -0.0391556100000000, 0.0261432400000000 ] - [ -0.0000834300000000, 0.0000057700000000, 0.0000663400000000 ] - [ -0.0000039100000000, -0.0000309200000000, 0.0001583200000000 ] - [ -0.0162550500000000, 0.0873948000000000, -0.0047686900000000 ] - [ 0.0000348900000000, 0.0001103100000000, 0.0002110700000000 ] - [ -0.0000283300000000, -0.0002031100000000, 0.0001700300000000 ] - [ 0.0000424400000000, -0.0000727000000000, -0.0001788300000000 ] - [ 0.0003376600000000, -0.0007993000000000, -0.0016882800000000 ] - [ -0.0000385800000000, -0.0000077100000000, 0.0001247600000000 ] - [ 0.0000202900000000, 0.0000066500000000, 0.0001100600000000 ] - [ 0.0001183300000000, -0.0002920700000000, -0.0002995200000000 ] - [ 0.0004999800000000, -0.0005845000000000, -0.0004222800000000 ] - [ 0.0001709500000000, -0.0000538800000000, 0.0000305300000000 ] - [ -0.0002663000000000, 0.0000412400000000, -0.0000053100000000 ] - [ 0.0003998100000000, 0.0003231500000000, 0.0006058700000000 ] - [ 0.0003169100000000, -0.0011397100000000, -0.0023765400000000 ] - [ -0.0000336300000000, -0.0000847400000000, 0.0002669500000000 ] - [ 0.0000227900000000, -0.0001172500000000, 0.0004217400000000 ] - [ -0.0000813900000000, 0.0003071700000000, 0.0003493600000000 ] - [ -0.0002315600000000, -0.0003614500000000, 0.0006031600000000 ] - [ 0.0004269800000000, -0.0001243100000000, -0.0003570000000000 ] - [ -0.0000177500000000, 0.0000626600000000, -0.0003154200000000 ] - [ 0.0005213600000000, 0.0003081600000000, -0.0001599200000000 ] - [ 0.0001108000000000, -0.0003314800000000, -0.0001448300000000 ] - [ 0.0002908600000000, 0.0000733400000000, -0.0001087900000000 ] - [ -0.0000308900000000, -0.0000668300000000, -0.0002424200000000 ] - [ -0.0000325000000000, 0.0000596200000000, -0.0002879100000000 ] - [ 0.0001625500000000, -0.0002026800000000, -0.0001030300000000 ] - [ -0.0001022800000000, -0.0000256700000000, 0.0003480400000000 ] - [ -0.0000655600000000, 0.0000850400000000, 0.0004544500000000 ] - [ 0.0000790100000000, 0.0000807600000000, -0.0001720200000000 ] - [ 0.0007113400000000, 0.0004831500000000, 0.0005534900000000 ] - [ 0.0000082900000000, 0.0000228700000000, 0.0000147400000000 ] - [ 0.0004701100000000, 0.0002577600000000, 0.0002435800000000 ] - [ -0.0005972100000000, -0.0006905700000000, -0.0004618100000000 ] - [ -0.0038887200000000, -0.0050390000000000, 0.0014824000000000 ] - [ 0.0001078000000000, 0.0000010900000000, -0.0000540700000000 ] - [ -0.0001278200000000, -0.0001103200000000, -0.0001333800000000 ] - [ 0.0001398000000000, 0.0000050700000000, -0.0000816100000000 ] - [ -0.0010313000000000, -0.0011695200000000, -0.0011782400000000 ] - [ 0.0000275700000000, 0.0000821700000000, 0.0000284200000000 ] - [ -0.0001236300000000, -0.0001073600000000, 0.0001003600000000 ] - [ -0.0003273100000000, -0.0000035300000000, -0.0003011200000000 ] - [ -0.0001252900000000, -0.0000368600000000, -0.0000081700000000 ] - [ 0.0017303200000000, 0.0003044900000000, -0.0015438700000000 ] - [ 0.0005031900000000, 0.0003376600000000, -0.0003502200000000 ] - [ 0.0001639400000000, 0.0000469700000000, 0.0000079900000000 ] - [ -0.0000374000000000, 0.0000724100000000, -0.0000704300000000 ] - [ -0.0001496200000000, -0.0000976000000000, 0.0000179500000000 ] - [ 0.0019211500000000, 0.0001983000000000, -0.0006846700000000 ] - [ 0.0000690200000000, 0.0000094500000000, 0.0001001200000000 ] - [ -0.0002723600000000, 0.0000362800000000, 0.0000921300000000 ] - [ -0.0002326600000000, -0.0000961800000000, -0.0000566100000000 ] - [ 0.0002112900000000, -0.0000508900000000, -0.0000385900000000 ] - [ -0.0011427100000000, -0.0011441300000000, 0.0012316200000000 ] - [ -0.0002526800000000, 0.0001499700000000, 0.0000272700000000 ] - [ 0.0000730400000000, -0.0001094900000000, 0.0000250500000000 ] - [ -0.0046796400000000, -0.0060301500000000, -0.0012151700000000 ] - [ 0.0003196400000000, -0.0002280900000000, 0.0001378100000000 ] - [ -0.0000685100000000, -0.0000189000000000, -0.0000665600000000 ] - [ 0.0015864300000000, 0.0004599700000000, 0.0015522700000000 ] - [ 0.0002323500000000, 0.0002489400000000, 0.0001478000000000 ] - [ 0.0000291900000000, 0.0000127400000000, 0.0000298300000000 ] - [ 0.0000482300000000, 0.0000593100000000, 0.0001277800000000 ] - [ -0.0000714900000000, -0.0000747900000000, -0.0001857600000000 ] - [ 0.0022981900000000, 0.0000211400000000, 0.0010712600000000 ] - [ -0.0000473000000000, -0.0000802400000000, 0.0001505200000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000004000000000, -0.0001923700000000, 0.0000033600000000 ] - [ -0.0001382900000000, 0.0000371300000000, -0.0000528800000000 ] - [ -0.0000374500000000, 0.0002577800000000, -0.0001621500000000 ] - [ 0.0000667100000000, -0.0000622400000000, 0.0002947500000000 ] - [ -0.0000160400000000, -0.0003521300000000, -0.0002114300000000 ] - [ -0.0000350700000000, -0.0001443600000000, 0.0003670200000000 ] - [ -0.0000062800000000, 0.0000781300000000, -0.0001331600000000 ] - [ 0.0000342900000000, 0.0000408300000000, -0.0000476800000000 ] - [ -0.0000579400000000, 0.0002150200000000, 0.0004745300000000 ] - [ 0.0001345200000000, 0.0000699600000000, -0.0000660900000000 ] - [ -0.0000943900000000, -0.0000004800000000, -0.0002648100000000 ] - [ -0.0000800400000000, 0.0001638200000000, 0.0001074500000000 ] - [ -0.0001676700000000, 0.0000409800000000, 0.0006013500000000 ] - [ -0.0001731700000000, 0.0000948400000000, -0.0002525400000000 ] - [ 0.0001782300000000, 0.0000549800000000, -0.0001463700000000 ] - [ 0.0002218600000000, 0.0000152200000000, -0.0001195800000000 ] - [ 0.0000581400000000, -0.0000368800000000, 0.0003005600000000 ] - [ 0.0004833900000000, 0.0000033700000000, -0.0000740000000000 ] - [ 0.0000257900000000, -0.0000241200000000, -0.0000433800000000 ] - [ -0.0001030500000000, 0.0002009500000000, -0.0000628600000000 ] - [ 0.0000223300000000, -0.0000800200000000, -0.0001900700000000 ] - [ 0.0001105500000000, -0.0000309700000000, 0.0000455200000000 ] - [ -0.0001703500000000, 0.0003347100000000, -0.0001600400000000 ] - [ -0.0000678400000000, 0.0000692600000000, 0.0001351400000000 ] - [ 0.0007421100000000, 0.0002311600000000, -0.0000017700000000 ] - [ 0.0001111200000000, -0.0002503300000000, 0.0002347300000000 ] - [ 0.0000477500000000, -0.0003993900000000, 0.0003964700000000 ] - [ -0.0001154500000000, -0.0000682200000000, -0.0001133800000000 ] - [ 0.0000887200000000, 0.0000019500000000, -0.0002220600000000 ] - [ 0.0002205500000000, 0.0003160300000000, -0.0002071500000000 ] - [ -0.0000961400000000, -0.0024523100000000, 0.0015107000000000 ] - [ -0.0000068400000000, -0.0002341500000000, 0.0000750100000000 ] - [ -0.0091240600000000, 0.0233996500000000, 0.0304526500000000 ] - [ -0.0001061600000000, -0.0000139900000000, -0.0000619000000000 ] - [ 0.0000583400000000, -0.0000823500000000, -0.0000310200000000 ] - [ 0.0001560300000000, -0.0001049800000000, -0.0001085300000000 ] - [ 0.0000928300000000, 0.0000095900000000, -0.0003395700000000 ] - [ 0.0000491500000000, 0.0000499100000000, 0.0000024700000000 ] - [ -0.0000857100000000, -0.0000792600000000, 0.0000205300000000 ] - [ -0.0000729900000000, -0.0000046000000000, 0.0001307900000000 ] - [ -0.0000740900000000, -0.0000054100000000, 0.0001534100000000 ] - [ -0.0000401900000000, 0.0001184200000000, -0.0002398600000000 ] - [ 0.0001866500000000, -0.0000729400000000, 0.0000637300000000 ] - [ -0.0000018900000000, -0.0001834200000000, -0.0001355400000000 ] - [ -0.0000311000000000, -0.0002930000000000, 0.0001676300000000 ] - [ -0.0001508200000000, -0.0006272100000000, 0.0011994300000000 ] - [ 0.0000785800000000, 0.0002077300000000, 0.0000395000000000 ] - [ 0.0000305600000000, 0.0000848700000000, -0.0002888900000000 ] - [ -0.0004696100000000, 0.0008962000000000, -0.0001528400000000 ] - [ -0.0000511600000000, -0.0000275500000000, 0.0001465400000000 ] - [ 0.0000159500000000, -0.0000876200000000, 0.0002709800000000 ] - [ -0.0003615600000000, 0.0010172000000000, -0.0022476800000000 ] - [ -0.0002284000000000, 0.0003958500000000, -0.0022824600000000 ] - [ 0.0000793200000000, 0.0000566200000000, 0.0000192400000000 ] - [ -0.0000834500000000, -0.0000812300000000, 0.0000459600000000 ] - [ -0.0000840600000000, -0.0000837000000000, -0.0008787200000000 ] - [ -0.0000622900000000, -0.0001630600000000, 0.0001130000000000 ] - [ -0.0000611600000000, 0.0001098100000000, 0.0001379800000000 ] - [ 0.0000563000000000, -0.0000600000000000, -0.0002867700000000 ] - [ 0.0000269500000000, 0.0001371700000000, 0.0002454200000000 ] - [ 0.0001563600000000, 0.0000567700000000, 0.0001314400000000 ] - [ 0.0119138900000000, -0.0282769400000000, 0.0319516400000000 ] - [ -0.0001331000000000, 0.0001153300000000, -0.0003497100000000 ] - [ -0.0000653800000000, -0.0000065400000000, 0.0001901200000000 ] - [ -0.0033787300000000, 0.0034016600000000, -0.0658061200000000 ] - [ 0.0000360100000000, 0.0000673600000000, 0.0002717300000000 ] - [ -0.0000062300000000, -0.0001069100000000, 0.0001389800000000 ] - [ -0.0000446200000000, 0.0000985900000000, -0.0000258200000000 ] - [ 0.0000740900000000, -0.0002053700000000, 0.0009310100000000 ] - [ -0.0000325600000000, 0.0000288400000000, 0.0000870700000000 ] - [ 0.0000736000000000, 0.0000344200000000, 0.0000341000000000 ] - [ 0.0002132500000000, -0.0003363500000000, 0.0018617100000000 ] - [ 0.0005055000000000, -0.0007946500000000, -0.0004780900000000 ] - [ 0.0001795300000000, -0.0000427400000000, 0.0000252000000000 ] - [ -0.0001123000000000, 0.0004189900000000, 0.0000223900000000 ] - [ 0.0005569200000000, -0.0001793000000000, 0.0006262300000000 ] - [ -0.0005584900000000, 0.0024705500000000, 0.0026295400000000 ] - [ 0.0000429700000000, -0.0000117200000000, 0.0003611700000000 ] - [ 0.0000132700000000, 0.0002736700000000, 0.0000681800000000 ] - [ 0.0003560000000000, -0.0008441000000000, -0.0004790000000000 ] - [ 0.0003600900000000, 0.0004369300000000, -0.0007050800000000 ] - [ 0.0001691500000000, 0.0000509300000000, 0.0000105200000000 ] - [ -0.0000435800000000, 0.0001032600000000, -0.0001264300000000 ] - [ 0.0008580900000000, 0.0004942500000000, -0.0009832600000000 ] - [ -0.0002612600000000, 0.0002657200000000, 0.0004548800000000 ] - [ 0.0000764900000000, 0.0001825400000000, -0.0006677600000000 ] - [ -0.0002509500000000, -0.0001450400000000, 0.0000320800000000 ] - [ -0.0002353900000000, 0.0000340700000000, 0.0004052300000000 ] - [ 0.0000827100000000, -0.0000149000000000, 0.0000934700000000 ] - [ -0.0002931300000000, -0.0001166400000000, 0.0003674000000000 ] - [ 0.0004298200000000, 0.0000784200000000, 0.0010677000000000 ] - [ -0.0001474800000000, 0.0001056300000000, -0.0000847400000000 ] - [ -0.0007312600000000, 0.0004583900000000, -0.0018440500000000 ] - [ -0.0000413100000000, -0.0000884700000000, -0.0000764300000000 ] - [ -0.0000935700000000, -0.0006450800000000, 0.0004092900000000 ] - [ -0.0002136200000000, 0.0003730400000000, -0.0003875900000000 ] - [ -0.0002516600000000, -0.0011346900000000, -0.0012201100000000 ] - [ 0.0000602800000000, 0.0002170400000000, -0.0000923500000000 ] - [ -0.0000926600000000, -0.0001719400000000, -0.0001303100000000 ] - [ -0.0001030900000000, -0.0000563300000000, 0.0002603900000000 ] - [ -0.0003317500000000, 0.0008983200000000, 0.0010646000000000 ] - [ 0.0000349500000000, 0.0000562700000000, -0.0001481900000000 ] - [ -0.0003638700000000, -0.0002193300000000, 0.0002083800000000 ] - [ 0.0008005100000000, 0.0004288100000000, 0.0004731000000000 ] - [ -0.0001538400000000, 0.0000614300000000, -0.0000449600000000 ] - [ -0.0006686100000000, 0.0005881500000000, 0.0009529400000000 ] - [ -0.0007793900000000, -0.0003178200000000, 0.0003546000000000 ] - [ 0.0002195200000000, -0.0002268700000000, 0.0002158000000000 ] - [ 0.0000255200000000, 0.0000670000000000, -0.0000828200000000 ] - [ -0.0001117000000000, -0.0000908100000000, 0.0002253800000000 ] - [ -0.0015160200000000, 0.0003824400000000, -0.0012169600000000 ] - [ 0.0000628400000000, -0.0000058900000000, 0.0000339700000000 ] - [ -0.0007292900000000, -0.0003226900000000, 0.0002015500000000 ] - [ 0.0005325200000000, 0.0001991000000000, 0.0002504600000000 ] - [ -0.0001506500000000, 0.0000822700000000, -0.0000310200000000 ] - [ 0.0001516600000000, -0.0012488200000000, 0.0010547700000000 ] - [ -0.0001205700000000, 0.0003158100000000, 0.0000113900000000 ] - [ 0.0000586500000000, -0.0000428300000000, 0.0002011600000000 ] - [ 0.0007230300000000, 0.0018126200000000, -0.0011560700000000 ] - [ -0.0001330200000000, -0.0002132000000000, -0.0000430100000000 ] - [ 0.0000099800000000, 0.0001104400000000, -0.0001549700000000 ] - [ 0.0007280600000000, -0.0007610900000000, 0.0012119100000000 ] - [ 0.0007273100000000, 0.0002104200000000, 0.0003353400000000 ] - [ -0.0000260000000000, 0.0001688600000000, 0.0001611000000000 ] - [ -0.0000279100000000, -0.0000883800000000, 0.0000142200000000 ] - [ 0.0000741700000000, -0.0000392900000000, 0.0001442500000000 ] - [ 0.0009728500000000, -0.0009335300000000, -0.0014891600000000 ] - [ 0.0000017700000000, 0.0001291000000000, 0.0001069600000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0002383900000000, 0.0002004000000000, 0.0000547200000000 ] - [ -0.0001049800000000, -0.0000448300000000, 0.0000029900000000 ] - [ 0.0002750300000000, -0.0002554300000000, 0.0001065900000000 ] - [ 0.0001821100000000, 0.0000614300000000, -0.0002438700000000 ] - [ -0.0000395600000000, 0.0002907900000000, 0.0001778900000000 ] - [ -0.0000164300000000, 0.0002118600000000, -0.0003449300000000 ] - [ 0.0000623000000000, -0.0001453300000000, 0.0001660900000000 ] - [ 0.0000209700000000, 0.0000273300000000, 0.0000248300000000 ] - [ 0.0001664700000000, -0.0002252400000000, -0.0004988700000000 ] - [ -0.0000213000000000, -0.0000472200000000, 0.0001053800000000 ] - [ -0.0000131800000000, -0.0000297100000000, 0.0002842900000000 ] - [ -0.0000376600000000, -0.0001323400000000, -0.0001417800000000 ] - [ -0.0001277200000000, 0.0001058300000000, -0.0005461200000000 ] - [ -0.0001192900000000, -0.0002447100000000, 0.0001815200000000 ] - [ 0.0001146100000000, 0.0000960600000000, 0.0000884400000000 ] - [ 0.0000701600000000, -0.0001655500000000, 0.0001913400000000 ] - [ -0.0000562300000000, 0.0000218300000000, -0.0003490700000000 ] - [ -0.0004780700000000, 0.0000068400000000, 0.0001140600000000 ] - [ -0.0000323400000000, 0.0000128500000000, 0.0000911000000000 ] - [ 0.0000951100000000, -0.0001887100000000, 0.0000220200000000 ] - [ 0.0001458700000000, 0.0001695000000000, 0.0000292800000000 ] - [ 0.0000560900000000, -0.0000582100000000, 0.0001233600000000 ] - [ 0.0000011800000000, -0.0002503900000000, 0.0003202200000000 ] - [ -0.0001024700000000, -0.0001570000000000, -0.0003023900000000 ] - [ -0.0006907100000000, -0.0001217900000000, 0.0000229500000000 ] - [ -0.0000528400000000, 0.0001350000000000, -0.0002903600000000 ] - [ -0.0001009100000000, 0.0005092100000000, -0.0004467400000000 ] - [ 0.0000604300000000, -0.0000449500000000, 0.0001736300000000 ] - [ -0.0001349500000000, 0.0004176900000000, 0.0002374200000000 ] - [ -0.0002736200000000, -0.0007427600000000, 0.0002098800000000 ] - [ 0.0001369800000000, 0.0028400200000000, -0.0014965700000000 ] - [ 0.0000540300000000, -0.0001762600000000, -0.0000642800000000 ] - [ 0.0085809700000000, -0.0224714700000000, -0.0295758900000000 ] - [ -0.0000514800000000, 0.0000345700000000, -0.0001139600000000 ] - [ 0.0000975400000000, 0.0000643600000000, -0.0001437300000000 ] - [ -0.0000006600000000, 0.0001284600000000, 0.0002892400000000 ] - [ 0.0001903100000000, 0.0001055900000000, 0.0000131200000000 ] - [ 0.0002383200000000, -0.0001702100000000, 0.0003375300000000 ] - [ -0.0001968800000000, 0.0001949300000000, 0.0003059900000000 ] - [ -0.0002103900000000, -0.0001115700000000, -0.0004654000000000 ] - [ -0.0002020600000000, -0.0000849400000000, -0.0001578200000000 ] - [ -0.0002312400000000, -0.0000338200000000, 0.0002491600000000 ] - [ 0.0000872900000000, -0.0000146600000000, -0.0000576100000000 ] - [ 0.0002756000000000, 0.0002698100000000, 0.0001289600000000 ] - [ 0.0000149900000000, 0.0002179500000000, -0.0005823000000000 ] - [ 0.0001344800000000, 0.0006933700000000, -0.0007942500000000 ] - [ -0.0000660200000000, -0.0002876200000000, 0.0003727800000000 ] - [ -0.0000178300000000, -0.0000058600000000, -0.0001089600000000 ] - [ 0.0003472700000000, -0.0008528900000000, -0.0001563200000000 ] - [ -0.0000747100000000, -0.0000230600000000, 0.0001694600000000 ] - [ 0.0001081400000000, 0.0001361300000000, 0.0000397100000000 ] - [ 0.0004867200000000, -0.0010655900000000, 0.0019599500000000 ] - [ 0.0003989000000000, -0.0005402100000000, 0.0022931800000000 ] - [ 0.0000769000000000, 0.0000630200000000, 0.0000073100000000 ] - [ -0.0000731000000000, -0.0000358300000000, -0.0000143500000000 ] - [ -0.0000711700000000, 0.0001980100000000, 0.0008612200000000 ] - [ -0.0000501800000000, -0.0000522300000000, 0.0002267700000000 ] - [ -0.0000525800000000, 0.0001017900000000, -0.0004905800000000 ] - [ 0.0000559900000000, -0.0001557700000000, -0.0000510400000000 ] - [ 0.0000852000000000, 0.0000774800000000, 0.0001024000000000 ] - [ 0.0000455100000000, 0.0000614300000000, 0.0000925700000000 ] - [ -0.0112769800000000, 0.0271503200000000, -0.0315261800000000 ] - [ -0.0000682700000000, -0.0000002800000000, 0.0001315000000000 ] - [ -0.0001376900000000, -0.0001128700000000, 0.0000357800000000 ] - [ 0.0033915200000000, -0.0034887600000000, 0.0639183500000000 ] - [ 0.0000254500000000, 0.0000868500000000, 0.0001381100000000 ] - [ -0.0000557500000000, -0.0000454500000000, 0.0002702700000000 ] - [ -0.0000174700000000, 0.0000550800000000, -0.0003869500000000 ] - [ -0.0001436000000000, 0.0001749800000000, -0.0011608800000000 ] - [ -0.0000345400000000, 0.0000077500000000, 0.0001384400000000 ] - [ -0.0000060700000000, -0.0000714300000000, 0.0001887300000000 ] - [ -0.0001482800000000, 0.0003781800000000, -0.0021467300000000 ] - [ -0.0001867400000000, 0.0008848400000000, 0.0004344200000000 ] - [ 0.0001431700000000, -0.0000447100000000, 0.0000308600000000 ] - [ -0.0002073500000000, -0.0003355700000000, 0.0000262300000000 ] - [ -0.0008825200000000, 0.0001115700000000, -0.0006665700000000 ] - [ 0.0005091100000000, -0.0023107100000000, -0.0031377600000000 ] - [ -0.0001001700000000, -0.0001256600000000, 0.0001791800000000 ] - [ 0.0000399000000000, -0.0001442400000000, 0.0004740800000000 ] - [ -0.0003084500000000, 0.0007268500000000, -0.0000374400000000 ] - [ -0.0002169100000000, -0.0002482400000000, 0.0011309000000000 ] - [ -0.0000256800000000, -0.0002300800000000, -0.0004185700000000 ] - [ -0.0000964900000000, 0.0000756800000000, -0.0003023800000000 ] - [ -0.0009933600000000, -0.0006648500000000, 0.0013866600000000 ] - [ 0.0005979700000000, -0.0004222900000000, -0.0001271400000000 ] - [ 0.0002550000000000, -0.0000243000000000, 0.0003685600000000 ] - [ -0.0000778200000000, -0.0000116300000000, -0.0003518300000000 ] - [ -0.0000949800000000, 0.0001203000000000, -0.0001100700000000 ] - [ -0.0000248800000000, -0.0002484000000000, -0.0002581100000000 ] - [ 0.0003581600000000, 0.0003878400000000, -0.0002194000000000 ] - [ -0.0004888300000000, -0.0003379600000000, -0.0008999500000000 ] - [ 0.0000923600000000, 0.0001565800000000, -0.0000787300000000 ] - [ 0.0007077500000000, -0.0004279300000000, 0.0018060800000000 ] - [ 0.0000276900000000, 0.0000611600000000, 0.0000918300000000 ] - [ 0.0001017700000000, 0.0006838900000000, -0.0003867000000000 ] - [ 0.0002205900000000, -0.0004270900000000, 0.0003645500000000 ] - [ 0.0002569200000000, 0.0010186300000000, 0.0013953800000000 ] - [ -0.0000442400000000, -0.0001308900000000, -0.0000420500000000 ] - [ 0.0000730100000000, 0.0000831300000000, -0.0000141200000000 ] - [ 0.0000841700000000, 0.0001437800000000, -0.0001286900000000 ] - [ 0.0001831400000000, -0.0010013400000000, -0.0010348500000000 ] - [ -0.0001601100000000, 0.0000487200000000, 0.0001085500000000 ] - [ 0.0004861600000000, 0.0001173100000000, -0.0002487200000000 ] - [ -0.0006979100000000, -0.0003314900000000, -0.0004481300000000 ] - [ -0.0000607000000000, 0.0000592100000000, 0.0001873900000000 ] - [ 0.0004662500000000, -0.0006946600000000, -0.0011090200000000 ] - [ 0.0010180300000000, 0.0004497600000000, -0.0005115800000000 ] - [ -0.0000013700000000, 0.0001044800000000, -0.0000682100000000 ] - [ -0.0001152300000000, -0.0001128200000000, 0.0000815100000000 ] - [ 0.0000224500000000, 0.0001401500000000, -0.0002383900000000 ] - [ 0.0015823100000000, -0.0004175800000000, 0.0012497300000000 ] - [ 0.0000245400000000, 0.0000532100000000, -0.0000233400000000 ] - [ 0.0007098800000000, 0.0003495700000000, -0.0003412900000000 ] - [ -0.0005664000000000, -0.0002218200000000, -0.0001181400000000 ] - [ 0.0001947600000000, -0.0000656900000000, 0.0001591100000000 ] - [ -0.0000943400000000, 0.0012290800000000, -0.0011945000000000 ] - [ 0.0000153000000000, -0.0000709200000000, 0.0000196100000000 ] - [ -0.0001679200000000, -0.0002018600000000, -0.0002478400000000 ] - [ -0.0006092700000000, -0.0015414100000000, 0.0011577100000000 ] - [ 0.0002502200000000, -0.0000328300000000, 0.0000885100000000 ] - [ -0.0001038200000000, 0.0000599700000000, 0.0000955300000000 ] - [ -0.0008298200000000, 0.0005756800000000, -0.0011630300000000 ] - [ -0.0006527800000000, -0.0000426600000000, -0.0002880600000000 ] - [ 0.0001162900000000, -0.0003423200000000, -0.0002169000000000 ] - [ 0.0000687900000000, 0.0001043100000000, 0.0001598900000000 ] - [ -0.0000330100000000, 0.0000219000000000, -0.0003337000000000 ] - [ -0.0009778200000000, 0.0009421100000000, 0.0013477100000000 ] - [ -0.0000416300000000, -0.0001495300000000, 0.0000806600000000 ]- atom: 69 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003901400000000, 0.0000640200000000, 0.0002387500000000 ] - [ 0.0000281600000000, 0.0000054600000000, -0.0000761500000000 ] - [ 0.0003623300000000, -0.0002305700000000, -0.0003419200000000 ] - [ 0.0000818900000000, -0.0000167000000000, 0.0000169600000000 ] - [ -0.0000721900000000, 0.0000282800000000, -0.0000281200000000 ] - [ 0.0000068300000000, 0.0000589200000000, -0.0000233100000000 ] - [ 0.0007023300000000, 0.0000329500000000, 0.0002835700000000 ] - [ -0.0001018900000000, 0.0000481900000000, -0.0000340200000000 ] - [ 0.0001271100000000, -0.0001877000000000, 0.0003007700000000 ] - [ 0.0001704000000000, 0.0000601100000000, 0.0000921500000000 ] - [ -0.0000615400000000, 0.0000200000000000, 0.0000424500000000 ] - [ -0.0000333600000000, -0.0000585800000000, 0.0000160700000000 ] - [ -0.0001442500000000, 0.0000813000000000, -0.0000102500000000 ] - [ -0.0001687500000000, -0.0000176700000000, -0.0000284800000000 ] - [ 0.0000744900000000, -0.0000155700000000, -0.0000725700000000 ] - [ 0.0018136200000000, 0.0013480700000000, 0.0005687300000000 ] - [ 0.0000022000000000, 0.0000172900000000, -0.0000651700000000 ] - [ 0.0000858600000000, 0.0000107900000000, 0.0001728900000000 ] - [ 0.0000904200000000, -0.0000135100000000, 0.0000226400000000 ] - [ 0.0000322600000000, 0.0002695300000000, -0.0000498500000000 ] - [ 0.0006814600000000, 0.0001630500000000, -0.0002193300000000 ] - [ -0.0000763300000000, -0.0000533300000000, -0.0000110000000000 ] - [ -0.0001560000000000, 0.0000863200000000, 0.0002161000000000 ] - [ -0.0000569500000000, -0.0000483000000000, -0.0001321500000000 ] - [ 0.0000206200000000, 0.0002598800000000, 0.0000115800000000 ] - [ 0.0000084000000000, -0.0000437100000000, -0.0000982000000000 ] - [ -0.0000179500000000, 0.0000054900000000, -0.0000746400000000 ] - [ -0.0000189300000000, -0.0001239500000000, -0.0001521700000000 ] - [ 0.0000347600000000, 0.0002000100000000, 0.0000859800000000 ] - [ -0.0000446500000000, -0.0002358500000000, -0.0001171900000000 ] - [ -0.0000319300000000, 0.0001594000000000, -0.0000168500000000 ] - [ 0.0000370400000000, -0.0001930300000000, -0.0000557900000000 ] - [ 0.0006882700000000, -0.0001173600000000, 0.0004223100000000 ] - [ -0.0000596500000000, 0.0000189200000000, -0.0001279600000000 ] - [ 0.0001157400000000, -0.0000272400000000, -0.0000705500000000 ] - [ -0.0000250500000000, -0.0000470300000000, 0.0002364800000000 ] - [ 0.0027857800000000, 0.0013863700000000, 0.0001785900000000 ] - [ 0.0001383300000000, -0.0002554600000000, -0.0000714700000000 ] - [ -0.0001824900000000, 0.0000861900000000, 0.0002251900000000 ] - [ -0.0001579800000000, -0.0000699200000000, -0.0002069800000000 ] - [ -0.0001684700000000, -0.0000566000000000, -0.0000621800000000 ] - [ -0.0000777200000000, 0.0002415900000000, 0.0000067900000000 ] - [ 0.0001557800000000, -0.0000114700000000, -0.0000605900000000 ] - [ 0.0001051300000000, 0.0000812900000000, 0.0000367100000000 ] - [ 0.0000305000000000, 0.0000096900000000, -0.0002449600000000 ] - [ -0.0000173900000000, 0.0001664100000000, 0.0001005800000000 ] - [ -0.0006061300000000, -0.0006933100000000, 0.0007713100000000 ] - [ 0.0003791600000000, 0.0003218400000000, -0.0005424300000000 ] - [ 0.0123048300000000, -0.0025572300000000, -0.0036153600000000 ] - [ -0.0000255700000000, -0.0001323800000000, 0.0001111800000000 ] - [ 0.0000837100000000, 0.0000476900000000, 0.0001712700000000 ] - [ 0.0000688500000000, -0.0000446200000000, -0.0002714400000000 ] - [ 0.0000602800000000, -0.0000302000000000, -0.0000135800000000 ] - [ 0.0000876700000000, 0.0000684900000000, 0.0000024500000000 ] - [ -0.0000194900000000, -0.0001432300000000, 0.0000243900000000 ] - [ 0.0133578800000000, -0.0128434100000000, 0.0125390000000000 ] - [ -0.0000669900000000, -0.0000820600000000, 0.0001380700000000 ] - [ 0.0000285800000000, 0.0001290200000000, -0.0002665400000000 ] - [ 0.0007165400000000, -0.0001589500000000, -0.0007504700000000 ] - [ -0.0000220200000000, -0.0000754400000000, 0.0001438800000000 ] - [ 0.0001148600000000, 0.0000458400000000, 0.0001116200000000 ] - [ 0.0004078700000000, -0.0001424800000000, -0.0011909000000000 ] - [ -0.0002184700000000, 0.0000883200000000, -0.0001321100000000 ] - [ -0.0000803800000000, -0.0001101300000000, 0.0000995000000000 ] - [ 0.0002132800000000, -0.0004446200000000, -0.0000840700000000 ] - [ 0.0000533500000000, 0.0000702600000000, 0.0001999400000000 ] - [ -0.0000221600000000, -0.0000886600000000, 0.0002410500000000 ] - [ 0.0001329700000000, -0.0000122200000000, -0.0003870300000000 ] - [ -0.0488433400000000, 0.0160240600000000, -0.0066619800000000 ] - [ -0.0000092800000000, 0.0000727200000000, 0.0001149800000000 ] - [ 0.0000346100000000, -0.0000227100000000, 0.0001159900000000 ] - [ 0.0000156200000000, -0.0000303900000000, -0.0001047000000000 ] - [ -0.0005020500000000, -0.0041514700000000, -0.0020173200000000 ] - [ 0.0003462100000000, 0.0000891600000000, 0.0000863200000000 ] - [ -0.0001195700000000, 0.0000102200000000, 0.0000348100000000 ] - [ -0.0001850200000000, -0.0000146300000000, 0.0000200600000000 ] - [ -0.0001284100000000, 0.0004104800000000, -0.0000509800000000 ] - [ -0.0000062500000000, -0.0000514600000000, 0.0002458800000000 ] - [ 0.0001098200000000, -0.0000175200000000, 0.0002456300000000 ] - [ -0.0000381500000000, -0.0001683500000000, -0.0001537300000000 ] - [ 0.0000675400000000, 0.0000507200000000, 0.0003988700000000 ] - [ -0.0001088600000000, -0.0002319700000000, -0.0001590300000000 ] - [ -0.0001440100000000, 0.0000450000000000, 0.0001000200000000 ] - [ 0.0001787000000000, -0.0001778500000000, 0.0004567400000000 ] - [ 0.0002041700000000, -0.0001429100000000, 0.0001531800000000 ] - [ 0.0001398300000000, 0.0000316000000000, -0.0000916200000000 ] - [ -0.0008272500000000, -0.0006494600000000, -0.0004440400000000 ] - [ 0.0001224600000000, 0.0004441400000000, -0.0002005000000000 ] - [ -0.0005437400000000, -0.0005637600000000, 0.0008719400000000 ] - [ 0.0002093200000000, 0.0002409300000000, 0.0004538800000000 ] - [ -0.0000210100000000, -0.0000986600000000, 0.0000480100000000 ] - [ -0.0000431400000000, 0.0001175700000000, -0.0000115100000000 ] - [ 0.0003970400000000, 0.0005485500000000, -0.0018444900000000 ] - [ -0.0001998600000000, -0.0000199700000000, -0.0000296600000000 ] - [ -0.0002298300000000, 0.0000403900000000, -0.0000814900000000 ] - [ 0.0000924200000000, 0.0000083300000000, -0.0001207600000000 ] - [ -0.0000157300000000, -0.0001441500000000, 0.0001699000000000 ] - [ 0.0000094300000000, 0.0000282500000000, -0.0000667200000000 ] - [ -0.0001416600000000, -0.0000661600000000, -0.0000478500000000 ] - [ -0.0006585100000000, 0.0001256100000000, 0.0007438000000000 ] - [ 0.0020439400000000, 0.0028497800000000, -0.0000962800000000 ] - [ -0.0001021100000000, 0.0000255700000000, 0.0000614700000000 ] - [ 0.0000683100000000, 0.0000219100000000, -0.0000485500000000 ] - [ 0.0001811000000000, 0.0000375200000000, 0.0000470700000000 ] - [ -0.0000966200000000, 0.0001080200000000, 0.0000938900000000 ] - [ 0.0066480000000000, -0.0018138600000000, 0.0005400000000000 ] - [ 0.0000368100000000, 0.0000450700000000, -0.0000887200000000 ] - [ 0.0000513900000000, -0.0000726500000000, -0.0000373100000000 ] - [ -0.0000280300000000, 0.0000417600000000, 0.0000432500000000 ] - [ -0.0003984800000000, -0.0006929400000000, 0.0003861800000000 ] - [ 0.0000313400000000, 0.0000016900000000, 0.0001052900000000 ] - [ 0.0000320200000000, 0.0000232900000000, -0.0000086700000000 ] - [ 0.0000187800000000, -0.0000520400000000, -0.0000314900000000 ] - [ -0.0000620400000000, -0.0000869100000000, 0.0000138000000000 ] - [ -0.0000463000000000, 0.0000199800000000, 0.0000964100000000 ] - [ 0.0026218500000000, 0.0041043000000000, 0.0003314400000000 ] - [ -0.0007499200000000, 0.0001877800000000, -0.0000704800000000 ] - [ -0.0005239500000000, -0.0007780900000000, -0.0007184800000000 ] - [ 0.0001307300000000, 0.0001697400000000, -0.0000138700000000 ] - [ 0.0000436400000000, -0.0000569400000000, 0.0000372700000000 ] - [ -0.0000496400000000, 0.0001510500000000, 0.0000427400000000 ] - [ 0.0074642400000000, -0.0018598200000000, -0.0010098100000000 ] - [ 0.0000758900000000, 0.0001044500000000, 0.0001142000000000 ] - [ 0.0000793100000000, -0.0001333900000000, -0.0000870100000000 ] - [ 0.0000095100000000, 0.0000271100000000, 0.0001127300000000 ] - [ 0.0000552600000000, -0.0004246100000000, -0.0001785300000000 ] - [ 0.0000796200000000, 0.0000439000000000, -0.0000187700000000 ] - [ -0.0000408200000000, -0.0000264200000000, 0.0000854100000000 ]- atom: 69 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001454500000000, -0.0000670800000000, -0.0001873700000000 ] - [ -0.0002676700000000, -0.0000086300000000, 0.0000229500000000 ] - [ -0.0001162800000000, 0.0002305800000000, 0.0002849900000000 ] - [ 0.0001586300000000, 0.0000114300000000, 0.0000348600000000 ] - [ 0.0000208000000000, -0.0001002600000000, 0.0000056000000000 ] - [ -0.0000597300000000, 0.0000108800000000, 0.0000514400000000 ] - [ -0.0006605400000000, -0.0001072800000000, -0.0002527700000000 ] - [ 0.0001540400000000, 0.0000199200000000, 0.0000046100000000 ] - [ -0.0000114200000000, 0.0001562000000000, -0.0003307100000000 ] - [ -0.0000588000000000, -0.0000308500000000, -0.0000552800000000 ] - [ -0.0000456100000000, -0.0000420200000000, -0.0000000600000000 ] - [ -0.0000788700000000, 0.0000821900000000, -0.0000538100000000 ] - [ -0.0001517000000000, 0.0000680800000000, 0.0000759300000000 ] - [ -0.0001272000000000, -0.0001318500000000, -0.0000355000000000 ] - [ 0.0002225000000000, 0.0001635600000000, 0.0000064500000000 ] - [ -0.0015406300000000, -0.0015170300000000, -0.0005194300000000 ] - [ 0.0000099500000000, -0.0000333300000000, 0.0000213600000000 ] - [ -0.0000726700000000, 0.0000069600000000, -0.0001305900000000 ] - [ -0.0001045400000000, -0.0000037700000000, 0.0000215400000000 ] - [ -0.0000441900000000, -0.0002496600000000, 0.0000039800000000 ] - [ -0.0004934600000000, -0.0000640100000000, 0.0000508200000000 ] - [ 0.0002483000000000, -0.0000387900000000, 0.0001718400000000 ] - [ -0.0000172000000000, 0.0000042200000000, -0.0000479600000000 ] - [ -0.0001149300000000, -0.0000426300000000, -0.0000329400000000 ] - [ 0.0000192100000000, -0.0001478300000000, 0.0000494500000000 ] - [ 0.0000413100000000, -0.0000674500000000, 0.0000430300000000 ] - [ -0.0000319400000000, 0.0001044100000000, 0.0000219100000000 ] - [ -0.0000284900000000, 0.0000120600000000, 0.0002063400000000 ] - [ -0.0000851100000000, 0.0002104800000000, -0.0000808300000000 ] - [ -0.0000003700000000, -0.0001739200000000, 0.0001103900000000 ] - [ 0.0000715400000000, 0.0002523500000000, 0.0000161600000000 ] - [ 0.0000089800000000, -0.0002186800000000, 0.0000625600000000 ] - [ -0.0008589400000000, 0.0001130700000000, -0.0003062400000000 ] - [ -0.0000988200000000, -0.0000018500000000, -0.0000467400000000 ] - [ 0.0000435600000000, 0.0000087900000000, -0.0001058900000000 ] - [ 0.0001853300000000, 0.0000613700000000, -0.0000596500000000 ] - [ -0.0024534800000000, -0.0012439300000000, -0.0005164100000000 ] - [ 0.0001427100000000, 0.0001364000000000, 0.0003978300000000 ] - [ -0.0000975800000000, 0.0000260600000000, 0.0001063900000000 ] - [ -0.0001222400000000, -0.0000451000000000, -0.0001249900000000 ] - [ -0.0001071000000000, -0.0000353500000000, 0.0000600700000000 ] - [ -0.0001969200000000, -0.0001462300000000, -0.0000076800000000 ] - [ 0.0001204300000000, -0.0000807100000000, 0.0000622900000000 ] - [ 0.0001693300000000, 0.0000091000000000, -0.0000352600000000 ] - [ -0.0000436200000000, -0.0000895200000000, -0.0001541400000000 ] - [ 0.0000056700000000, -0.0000856500000000, 0.0002993200000000 ] - [ 0.0006170300000000, 0.0006323300000000, -0.0003842900000000 ] - [ -0.0003666800000000, -0.0002544900000000, 0.0001553500000000 ] - [ -0.0124670800000000, 0.0027738600000000, 0.0033945500000000 ] - [ -0.0001018600000000, 0.0000790200000000, 0.0001993500000000 ] - [ 0.0000445700000000, 0.0000056900000000, 0.0001401300000000 ] - [ 0.0000589400000000, -0.0000090700000000, -0.0000417400000000 ] - [ 0.0000953800000000, -0.0000846700000000, -0.0000186100000000 ] - [ 0.0000682800000000, 0.0000470500000000, 0.0000255600000000 ] - [ -0.0001364800000000, 0.0000297400000000, 0.0000011800000000 ] - [ -0.0136039500000000, 0.0128067700000000, -0.0124788900000000 ] - [ -0.0000451000000000, -0.0001348200000000, 0.0002034900000000 ] - [ -0.0001434600000000, 0.0000892300000000, -0.0000718300000000 ] - [ -0.0006111000000000, -0.0000542300000000, 0.0004258600000000 ] - [ 0.0001340300000000, 0.0002908300000000, 0.0001956000000000 ] - [ 0.0000884400000000, 0.0000737100000000, 0.0001115500000000 ] - [ -0.0001967700000000, 0.0000100900000000, 0.0009235400000000 ] - [ 0.0000134900000000, 0.0000385600000000, -0.0000898800000000 ] - [ -0.0001221800000000, -0.0000105300000000, 0.0001239900000000 ] - [ -0.0001552600000000, 0.0002961400000000, -0.0003052500000000 ] - [ 0.0000077500000000, 0.0000822300000000, 0.0002053400000000 ] - [ -0.0000385200000000, -0.0000639500000000, 0.0001648400000000 ] - [ -0.0001951900000000, 0.0001614600000000, -0.0000290100000000 ] - [ 0.0487913200000000, -0.0160072900000000, 0.0065153800000000 ] - [ -0.0000571700000000, -0.0000361900000000, 0.0001128100000000 ] - [ 0.0000323300000000, -0.0000156400000000, 0.0001100400000000 ] - [ 0.0000514000000000, 0.0000687400000000, -0.0001205500000000 ] - [ 0.0008714000000000, 0.0041714800000000, 0.0019439600000000 ] - [ -0.0000240800000000, -0.0001728700000000, -0.0000377900000000 ] - [ -0.0002028200000000, 0.0000731700000000, 0.0000149100000000 ] - [ -0.0001397000000000, -0.0000704400000000, -0.0000710800000000 ] - [ 0.0000782800000000, -0.0002791100000000, -0.0004785100000000 ] - [ -0.0000487300000000, -0.0000824400000000, 0.0002936100000000 ] - [ -0.0000496400000000, 0.0001526500000000, 0.0002937600000000 ] - [ 0.0000936400000000, 0.0000325500000000, -0.0003885500000000 ] - [ 0.0000681600000000, 0.0001241500000000, 0.0000224300000000 ] - [ 0.0002536300000000, 0.0000565800000000, -0.0002576300000000 ] - [ 0.0000048900000000, 0.0001338800000000, -0.0005282400000000 ] - [ -0.0003122700000000, 0.0000031000000000, -0.0000450300000000 ] - [ 0.0001215700000000, -0.0000155600000000, 0.0001588600000000 ] - [ 0.0001867100000000, 0.0001277700000000, -0.0002268000000000 ] - [ 0.0004837300000000, 0.0004888800000000, 0.0001277600000000 ] - [ -0.0004544900000000, -0.0002861700000000, 0.0005248900000000 ] - [ 0.0006041300000000, 0.0003009700000000, -0.0010021500000000 ] - [ -0.0001535200000000, 0.0000220500000000, -0.0002895500000000 ] - [ -0.0000316900000000, -0.0001610200000000, 0.0001077700000000 ] - [ -0.0000112200000000, 0.0001453400000000, -0.0001451900000000 ] - [ -0.0004092000000000, -0.0004991600000000, 0.0017906900000000 ] - [ 0.0001804300000000, -0.0000146300000000, 0.0000510300000000 ] - [ 0.0002399800000000, -0.0000128000000000, 0.0001040200000000 ] - [ -0.0000733700000000, -0.0000368800000000, 0.0001011100000000 ] - [ 0.0000283800000000, 0.0000534500000000, -0.0000300100000000 ] - [ 0.0000104900000000, 0.0000589400000000, -0.0000742000000000 ] - [ 0.0001274000000000, -0.0000153900000000, -0.0000944700000000 ] - [ 0.0006398300000000, -0.0000318100000000, -0.0006033600000000 ] - [ -0.0021825500000000, -0.0029135700000000, 0.0001210500000000 ] - [ -0.0000220300000000, 0.0000800900000000, -0.0000956200000000 ] - [ 0.0000546200000000, -0.0001249000000000, 0.0000138200000000 ] - [ -0.0000574800000000, 0.0000694700000000, -0.0000105200000000 ] - [ -0.0001150900000000, 0.0000125400000000, 0.0000528500000000 ] - [ -0.0070823400000000, 0.0017984700000000, -0.0007494600000000 ] - [ 0.0001766900000000, 0.0000741200000000, -0.0000562300000000 ] - [ 0.0001616000000000, -0.0000456800000000, 0.0001792600000000 ] - [ -0.0000522900000000, -0.0000891500000000, -0.0000378800000000 ] - [ 0.0003070300000000, 0.0007360200000000, -0.0003810200000000 ] - [ 0.0000457400000000, -0.0000551900000000, -0.0001085900000000 ] - [ 0.0000508700000000, 0.0000270000000000, 0.0000124800000000 ] - [ -0.0000580600000000, 0.0000702900000000, -0.0000966200000000 ] - [ 0.0000215200000000, 0.0000644200000000, 0.0001153000000000 ] - [ 0.0000843100000000, 0.0000019900000000, 0.0000329000000000 ] - [ -0.0025725700000000, -0.0041784000000000, -0.0004769000000000 ] - [ 0.0006233100000000, 0.0000567200000000, 0.0001037200000000 ] - [ 0.0004295600000000, 0.0005304700000000, 0.0006944500000000 ] - [ -0.0000140900000000, 0.0000779000000000, -0.0000201900000000 ] - [ 0.0000653800000000, -0.0001863600000000, -0.0000025600000000 ] - [ -0.0000465200000000, 0.0000272800000000, -0.0000977200000000 ] - [ -0.0072842000000000, 0.0015582200000000, 0.0009922000000000 ] - [ 0.0000209100000000, 0.0000700900000000, -0.0000568100000000 ] - [ 0.0000188300000000, -0.0000403000000000, 0.0000279100000000 ] - [ 0.0000242300000000, 0.0000008100000000, 0.0000696500000000 ] - [ -0.0000166900000000, 0.0003960300000000, 0.0000026600000000 ] - [ -0.0001081400000000, -0.0000187900000000, -0.0001611600000000 ] - [ 0.0000056800000000, 0.0000045200000000, 0.0000943800000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003440700000000, 0.0003850000000000, -0.0002325700000000 ] - [ -0.0003622700000000, -0.0001739200000000, 0.0000840700000000 ] - [ 0.0001178000000000, 0.0000004000000000, 0.0001049500000000 ] - [ 0.0002189400000000, 0.0000738800000000, 0.0000253700000000 ] - [ -0.0001035900000000, 0.0000536800000000, -0.0003323100000000 ] - [ 0.0000002700000000, -0.0000203900000000, 0.0000469100000000 ] - [ 0.0001755200000000, -0.0000673800000000, -0.0001951100000000 ] - [ 0.0002224100000000, 0.0001174200000000, -0.0000482300000000 ] - [ -0.0000393600000000, 0.0006350100000000, -0.0006594300000000 ] - [ 0.0000499900000000, -0.0000492700000000, 0.0001383500000000 ] - [ 0.0000372500000000, -0.0002069100000000, -0.0000433200000000 ] - [ -0.0001255300000000, 0.0002224400000000, -0.0001305600000000 ] - [ -0.0001599900000000, 0.0000084800000000, 0.0000597700000000 ] - [ -0.0001055900000000, -0.0001072400000000, -0.0000617400000000 ] - [ 0.0002118200000000, 0.0005807300000000, -0.0002070800000000 ] - [ 0.0007485100000000, -0.0002256400000000, 0.0003876100000000 ] - [ 0.0000224800000000, -0.0000065700000000, 0.0000453900000000 ] - [ 0.0000525600000000, -0.0000189400000000, -0.0001983200000000 ] - [ 0.0000292600000000, -0.0001547400000000, 0.0000763400000000 ] - [ 0.0001346700000000, 0.0004212600000000, -0.0001273700000000 ] - [ 0.0004616600000000, -0.0000039800000000, 0.0000258300000000 ] - [ 0.0003285300000000, 0.0001593500000000, 0.0003818500000000 ] - [ -0.0000974900000000, 0.0002893400000000, 0.0003421000000000 ] - [ -0.0000921600000000, -0.0000596600000000, -0.0000721400000000 ] - [ 0.0000990100000000, -0.0002617300000000, -0.0000446500000000 ] - [ 0.0000279800000000, -0.0000137100000000, 0.0001163500000000 ] - [ -0.0000857100000000, 0.0002737900000000, 0.0001523100000000 ] - [ -0.0000078900000000, -0.0001251800000000, 0.0000326100000000 ] - [ -0.0001120300000000, 0.0000745500000000, -0.0002991200000000 ] - [ 0.0000009500000000, -0.0001018200000000, 0.0002870800000000 ] - [ -0.0002576600000000, 0.0001985300000000, 0.0001798100000000 ] - [ 0.0000302300000000, -0.0002195400000000, -0.0000424900000000 ] - [ -0.0001448000000000, 0.0009875900000000, -0.0007511100000000 ] - [ -0.0001088200000000, 0.0000240200000000, -0.0001010300000000 ] - [ -0.0000154900000000, 0.0000823900000000, -0.0000285300000000 ] - [ -0.0000296800000000, -0.0001752500000000, -0.0002146600000000 ] - [ 0.0013056500000000, 0.0002607300000000, -0.0001556100000000 ] - [ 0.0001483500000000, 0.0005609700000000, 0.0007667000000000 ] - [ -0.0001475600000000, 0.0001074600000000, 0.0001189800000000 ] - [ -0.0001217600000000, -0.0000946600000000, -0.0001489900000000 ] - [ -0.0000863600000000, 0.0000329000000000, 0.0001447900000000 ] - [ -0.0002330300000000, -0.0001941500000000, -0.0001742000000000 ] - [ 0.0001290900000000, -0.0001074300000000, -0.0000005400000000 ] - [ 0.0000909100000000, 0.0001581300000000, 0.0000186100000000 ] - [ -0.0000257600000000, -0.0000622200000000, -0.0002737500000000 ] - [ -0.0000337000000000, -0.0002086000000000, 0.0003145900000000 ] - [ 0.0000981300000000, 0.0028958500000000, -0.0024155200000000 ] - [ 0.0000747500000000, 0.0002443500000000, -0.0005809900000000 ] - [ -0.0022207200000000, 0.0174551700000000, 0.0080676600000000 ] - [ -0.0003720400000000, -0.0000576400000000, 0.0001655700000000 ] - [ 0.0000179300000000, -0.0000559900000000, 0.0002704100000000 ] - [ 0.0000177400000000, 0.0000491500000000, 0.0000454700000000 ] - [ 0.0001146200000000, -0.0001266700000000, -0.0000395200000000 ] - [ 0.0000799700000000, 0.0001126300000000, -0.0000296500000000 ] - [ -0.0001653500000000, -0.0000566700000000, 0.0000351700000000 ] - [ -0.0125188800000000, 0.0376713500000000, -0.0286416300000000 ] - [ -0.0000815800000000, -0.0000620400000000, 0.0001822500000000 ] - [ -0.0000904200000000, 0.0000398700000000, -0.0002011500000000 ] - [ 0.0003864100000000, -0.0002163900000000, -0.0002908900000000 ] - [ 0.0000765600000000, 0.0004020600000000, 0.0001727100000000 ] - [ 0.0000870300000000, 0.0000914200000000, 0.0001452400000000 ] - [ -0.0000388600000000, 0.0005901200000000, 0.0023877000000000 ] - [ -0.0000891600000000, -0.0001254000000000, -0.0000659500000000 ] - [ -0.0002166800000000, 0.0001069800000000, 0.0000438700000000 ] - [ -0.0003338000000000, 0.0006998300000000, -0.0003985800000000 ] - [ 0.0000161400000000, 0.0001045800000000, 0.0002149500000000 ] - [ -0.0000629800000000, -0.0001039100000000, 0.0001507500000000 ] - [ -0.0001913700000000, 0.0003852000000000, 0.0001453300000000 ] - [ 0.0157809200000000, -0.0825545700000000, 0.0123946000000000 ] - [ -0.0000870000000000, 0.0002164300000000, 0.0001201700000000 ] - [ 0.0000369000000000, 0.0000553400000000, 0.0000413000000000 ] - [ -0.0000167600000000, 0.0000524600000000, -0.0001301100000000 ] - [ -0.0049160700000000, 0.0078618000000000, 0.0055932500000000 ] - [ 0.0000290500000000, 0.0000054300000000, 0.0001752900000000 ] - [ -0.0001223700000000, 0.0001765100000000, 0.0000036900000000 ] - [ -0.0001172700000000, -0.0001701300000000, -0.0001455000000000 ] - [ 0.0000864000000000, -0.0006455200000000, -0.0007863900000000 ] - [ -0.0000594500000000, -0.0000268100000000, 0.0004018400000000 ] - [ 0.0001399900000000, 0.0000901100000000, 0.0002874000000000 ] - [ 0.0001066300000000, 0.0001449100000000, -0.0006023100000000 ] - [ 0.0000820000000000, 0.0000752500000000, -0.0001562700000000 ] - [ 0.0001320700000000, 0.0000931900000000, 0.0000414000000000 ] - [ -0.0001077200000000, 0.0002562800000000, -0.0001017300000000 ] - [ 0.0000155100000000, -0.0006462400000000, -0.0004746700000000 ] - [ 0.0003330700000000, -0.0000823200000000, 0.0002768900000000 ] - [ 0.0001740500000000, 0.0002009400000000, -0.0001740600000000 ] - [ -0.0003624200000000, 0.0001994500000000, -0.0000900600000000 ] - [ -0.0013823800000000, -0.0010067900000000, 0.0010262200000000 ] - [ 0.0000404800000000, 0.0001201400000000, 0.0005735600000000 ] - [ -0.0003359900000000, -0.0001512000000000, -0.0007659600000000 ] - [ 0.0001519100000000, -0.0003063900000000, 0.0002105600000000 ] - [ -0.0000405800000000, 0.0001871800000000, -0.0001116700000000 ] - [ -0.0006736000000000, -0.0017734600000000, 0.0037997600000000 ] - [ 0.0001670800000000, -0.0000099200000000, -0.0000433200000000 ] - [ 0.0000014800000000, 0.0000279600000000, -0.0000726000000000 ] - [ -0.0001360500000000, -0.0001331400000000, 0.0002995300000000 ] - [ 0.0002096500000000, 0.0001453400000000, -0.0000056700000000 ] - [ -0.0000124600000000, 0.0000132400000000, -0.0000405800000000 ] - [ 0.0004157400000000, -0.0001165000000000, -0.0001495900000000 ] - [ 0.0002551400000000, 0.0009935800000000, -0.0003604400000000 ] - [ 0.0036728400000000, 0.0058827900000000, -0.0008186900000000 ] - [ 0.0000758200000000, 0.0000320700000000, -0.0001989500000000 ] - [ 0.0000885700000000, -0.0001564100000000, -0.0000407500000000 ] - [ -0.0001007700000000, 0.0001030600000000, 0.0000766600000000 ] - [ -0.0001985000000000, -0.0001918600000000, 0.0000490900000000 ] - [ -0.0022417300000000, 0.0006487200000000, -0.0006376400000000 ] - [ 0.0002237400000000, 0.0002398000000000, -0.0000594500000000 ] - [ -0.0000177200000000, -0.0004297100000000, 0.0001593200000000 ] - [ -0.0001092500000000, -0.0004505200000000, -0.0001541800000000 ] - [ -0.0006622200000000, 0.0010504400000000, 0.0003630900000000 ] - [ 0.0001495300000000, 0.0000886100000000, -0.0000524300000000 ] - [ -0.0000087000000000, -0.0000876100000000, -0.0000280500000000 ] - [ -0.0000302400000000, 0.0001420300000000, -0.0002114800000000 ] - [ 0.0000730600000000, -0.0000892300000000, 0.0003355100000000 ] - [ 0.0001988500000000, -0.0000151300000000, 0.0000971400000000 ] - [ 0.0035261300000000, 0.0063260600000000, 0.0014823600000000 ] - [ 0.0018412900000000, -0.0002286600000000, 0.0000289600000000 ] - [ -0.0004625400000000, 0.0009615300000000, 0.0000904400000000 ] - [ -0.0000412000000000, 0.0001246100000000, -0.0000913200000000 ] - [ 0.0000868800000000, -0.0001798000000000, 0.0000247500000000 ] - [ -0.0000570100000000, -0.0001803900000000, -0.0001273500000000 ] - [ -0.0014704000000000, 0.0007161500000000, 0.0006502700000000 ] - [ 0.0000268600000000, 0.0002519800000000, -0.0000606700000000 ] - [ -0.0000263400000000, -0.0003934300000000, 0.0001229500000000 ] - [ -0.0001090700000000, -0.0004755600000000, 0.0001243700000000 ] - [ -0.0009781100000000, -0.0000429900000000, -0.0008199400000000 ] - [ -0.0002729500000000, 0.0000619900000000, -0.0001517400000000 ] - [ -0.0000439100000000, -0.0000940900000000, 0.0001425200000000 ]- atom: 69 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005886100000000, -0.0003795500000000, 0.0002856300000000 ] - [ 0.0001194200000000, 0.0001656200000000, -0.0001386100000000 ] - [ 0.0001239000000000, 0.0000080000000000, -0.0001577700000000 ] - [ 0.0000258300000000, -0.0000791600000000, 0.0000277800000000 ] - [ 0.0000460200000000, -0.0001191200000000, 0.0002984700000000 ] - [ -0.0000548700000000, 0.0000859200000000, -0.0000173600000000 ] - [ -0.0001222900000000, 0.0000072100000000, 0.0002263700000000 ] - [ -0.0001712800000000, -0.0000510600000000, 0.0000240800000000 ] - [ 0.0001549000000000, -0.0006638300000000, 0.0006226900000000 ] - [ 0.0000643100000000, 0.0000739200000000, -0.0001031600000000 ] - [ -0.0001484300000000, 0.0001910300000000, 0.0000775300000000 ] - [ 0.0000094700000000, -0.0001955500000000, 0.0000933500000000 ] - [ -0.0001335100000000, 0.0001389400000000, 0.0000066200000000 ] - [ -0.0001873000000000, -0.0000447200000000, -0.0000028800000000 ] - [ 0.0000881900000000, -0.0004419300000000, 0.0001534700000000 ] - [ -0.0004321800000000, 0.0000875400000000, -0.0003330400000000 ] - [ -0.0000174200000000, -0.0000069800000000, -0.0000881400000000 ] - [ -0.0000460000000000, 0.0000299800000000, 0.0002431100000000 ] - [ -0.0000348400000000, 0.0001432900000000, -0.0000317100000000 ] - [ -0.0001460700000000, -0.0004118800000000, 0.0000841100000000 ] - [ -0.0002880000000000, 0.0000884300000000, -0.0001903600000000 ] - [ -0.0001597100000000, -0.0002489900000000, -0.0002163600000000 ] - [ -0.0000721300000000, -0.0002053500000000, -0.0001854900000000 ] - [ -0.0000768200000000, -0.0000274000000000, -0.0000919500000000 ] - [ -0.0000491800000000, 0.0003724700000000, 0.0001004100000000 ] - [ 0.0000292100000000, -0.0001010200000000, -0.0001696400000000 ] - [ 0.0000313400000000, -0.0001608900000000, -0.0002080200000000 ] - [ -0.0000493900000000, 0.0000147500000000, 0.0000223300000000 ] - [ 0.0000651400000000, 0.0003326200000000, 0.0003065000000000 ] - [ -0.0000473300000000, -0.0003120500000000, -0.0002959500000000 ] - [ 0.0003077200000000, 0.0002303000000000, -0.0001747200000000 ] - [ 0.0000162200000000, -0.0001905600000000, 0.0000523500000000 ] - [ -0.0000173600000000, -0.0009814700000000, 0.0008925000000000 ] - [ -0.0000485600000000, -0.0000041800000000, -0.0000726900000000 ] - [ 0.0001724400000000, -0.0001028300000000, -0.0001470500000000 ] - [ 0.0001881700000000, 0.0001891800000000, 0.0003906400000000 ] - [ -0.0010319200000000, -0.0001526600000000, -0.0001764300000000 ] - [ 0.0001358900000000, -0.0006749300000000, -0.0004314200000000 ] - [ -0.0001337000000000, 0.0000063400000000, 0.0002103600000000 ] - [ -0.0001614800000000, -0.0000200500000000, -0.0001818500000000 ] - [ -0.0001881500000000, -0.0001223900000000, -0.0001471300000000 ] - [ -0.0000451800000000, 0.0002811600000000, 0.0001784200000000 ] - [ 0.0001458600000000, 0.0000193900000000, 0.0000055200000000 ] - [ 0.0001843000000000, -0.0000692000000000, -0.0000241800000000 ] - [ 0.0000123000000000, -0.0000182900000000, -0.0001283000000000 ] - [ 0.0000201000000000, 0.0002838300000000, 0.0000897200000000 ] - [ -0.0000969800000000, -0.0030064100000000, 0.0028513200000000 ] - [ -0.0000624800000000, -0.0001643500000000, 0.0001797800000000 ] - [ 0.0018319500000000, -0.0168215300000000, -0.0078701400000000 ] - [ 0.0002475500000000, 0.0000101000000000, 0.0001501400000000 ] - [ 0.0001063600000000, 0.0001045100000000, 0.0000431700000000 ] - [ 0.0001071300000000, -0.0000976700000000, -0.0003562700000000 ] - [ 0.0000418900000000, 0.0000069700000000, 0.0000100500000000 ] - [ 0.0000764200000000, 0.0000050900000000, 0.0000592000000000 ] - [ 0.0000082300000000, -0.0000622700000000, -0.0000046800000000 ] - [ 0.0131108000000000, -0.0389293900000000, 0.0299374000000000 ] - [ -0.0000308400000000, -0.0001534100000000, 0.0001607800000000 ] - [ -0.0000231800000000, 0.0001750100000000, -0.0001404700000000 ] - [ -0.0002725000000000, 0.0000059700000000, -0.0000509800000000 ] - [ 0.0000323800000000, -0.0001915500000000, 0.0001680700000000 ] - [ 0.0001153000000000, 0.0000265600000000, 0.0000808900000000 ] - [ 0.0002425600000000, -0.0007125800000000, -0.0026455100000000 ] - [ -0.0001172400000000, 0.0002502600000000, -0.0001543400000000 ] - [ 0.0000144700000000, -0.0002240000000000, 0.0001812200000000 ] - [ 0.0003981600000000, -0.0008578500000000, -0.0000184700000000 ] - [ 0.0000453400000000, 0.0000494500000000, 0.0001937700000000 ] - [ 0.0000012100000000, -0.0000504000000000, 0.0002567200000000 ] - [ 0.0001334400000000, -0.0002381300000000, -0.0005690000000000 ] - [ -0.0162586800000000, 0.0832624000000000, -0.0143858700000000 ] - [ 0.0000202400000000, -0.0001812900000000, 0.0001033600000000 ] - [ 0.0000312800000000, -0.0000919300000000, 0.0001822900000000 ] - [ 0.0000838300000000, -0.0000148000000000, -0.0000955800000000 ] - [ 0.0051680900000000, -0.0076622300000000, -0.0055570200000000 ] - [ 0.0002914900000000, -0.0000952600000000, -0.0001228600000000 ] - [ -0.0002010600000000, -0.0000874700000000, 0.0000485100000000 ] - [ -0.0002062100000000, 0.0000843000000000, 0.0000915500000000 ] - [ -0.0001368500000000, 0.0007616300000000, 0.0002526800000000 ] - [ 0.0000043500000000, -0.0001098800000000, 0.0001377800000000 ] - [ -0.0000881200000000, 0.0000478300000000, 0.0002507200000000 ] - [ -0.0000497300000000, -0.0002763700000000, 0.0000563600000000 ] - [ 0.0000589200000000, 0.0001079000000000, 0.0005749200000000 ] - [ 0.0000113000000000, -0.0002690700000000, -0.0004612100000000 ] - [ -0.0000320300000000, -0.0000795400000000, -0.0003192800000000 ] - [ -0.0001561000000000, 0.0004752100000000, 0.0009055300000000 ] - [ 0.0000019700000000, -0.0000713700000000, 0.0000314800000000 ] - [ 0.0001553100000000, -0.0000424000000000, -0.0001397100000000 ] - [ 0.0000210100000000, -0.0003662800000000, -0.0002233300000000 ] - [ 0.0010674800000000, 0.0011734000000000, -0.0007353000000000 ] - [ 0.0000211800000000, -0.0003772400000000, -0.0007371500000000 ] - [ 0.0003891800000000, 0.0004138500000000, 0.0009178600000000 ] - [ -0.0002152700000000, 0.0000440900000000, -0.0000545600000000 ] - [ -0.0000162500000000, 0.0000745800000000, -0.0000487200000000 ] - [ 0.0006606700000000, 0.0018067400000000, -0.0037967900000000 ] - [ -0.0001818600000000, -0.0000193500000000, 0.0000611200000000 ] - [ 0.0000111100000000, -0.0000044600000000, 0.0000961500000000 ] - [ 0.0001472600000000, 0.0001030400000000, -0.0003125100000000 ] - [ -0.0001902100000000, -0.0002309100000000, 0.0001438100000000 ] - [ 0.0000319300000000, 0.0000757900000000, -0.0000994000000000 ] - [ -0.0004405600000000, 0.0000283800000000, 0.0000093600000000 ] - [ -0.0002543800000000, -0.0009167300000000, 0.0004887300000000 ] - [ -0.0036796800000000, -0.0057594600000000, 0.0007988500000000 ] - [ -0.0001967000000000, 0.0000738400000000, 0.0001576700000000 ] - [ 0.0000323900000000, 0.0000515700000000, 0.0000037800000000 ] - [ 0.0002185300000000, -0.0000003900000000, -0.0000373000000000 ] - [ -0.0000181900000000, 0.0003157000000000, 0.0000918500000000 ] - [ 0.0020053000000000, -0.0007555700000000, 0.0004895800000000 ] - [ -0.0000035800000000, -0.0001173200000000, -0.0000837100000000 ] - [ 0.0002382100000000, 0.0003113900000000, -0.0000142600000000 ] - [ 0.0000174800000000, 0.0004075700000000, 0.0001595400000000 ] - [ 0.0005581500000000, -0.0010007200000000, -0.0003611000000000 ] - [ -0.0000603500000000, -0.0001369600000000, 0.0000458500000000 ] - [ 0.0000992900000000, 0.0001351300000000, 0.0000344800000000 ] - [ -0.0000064000000000, -0.0001211900000000, 0.0000818200000000 ] - [ -0.0001113400000000, 0.0000722200000000, -0.0002040000000000 ] - [ -0.0001611300000000, 0.0000325200000000, 0.0000294800000000 ] - [ -0.0036086100000000, -0.0066116500000000, -0.0016707100000000 ] - [ -0.0019375500000000, 0.0004753300000000, 0.0000106800000000 ] - [ 0.0003573100000000, -0.0011907800000000, -0.0001191600000000 ] - [ 0.0001498900000000, 0.0001180500000000, 0.0000543800000000 ] - [ 0.0000218300000000, -0.0000663100000000, 0.0000138900000000 ] - [ -0.0000335600000000, 0.0003518900000000, 0.0000660200000000 ] - [ 0.0013935900000000, -0.0009155700000000, -0.0005771900000000 ] - [ 0.0000638200000000, -0.0000809700000000, 0.0001185700000000 ] - [ 0.0001159900000000, 0.0002234100000000, -0.0001795100000000 ] - [ 0.0001541900000000, 0.0004948100000000, 0.0000574400000000 ] - [ 0.0010102400000000, 0.0000097200000000, 0.0006210900000000 ] - [ 0.0002306500000000, -0.0000442200000000, -0.0000316100000000 ] - [ 0.0000019700000000, 0.0000771500000000, 0.0000401800000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0003724000000000, 0.0000219900000000, -0.0004911600000000 ] - [ -0.0002660500000000, -0.0001558000000000, 0.0000569500000000 ] - [ 0.0000211900000000, 0.0001853400000000, 0.0001962600000000 ] - [ 0.0001565700000000, 0.0000416300000000, 0.0000721700000000 ] - [ 0.0001290800000000, -0.0000279200000000, 0.0001430400000000 ] - [ -0.0000563600000000, 0.0000193400000000, 0.0000432200000000 ] - [ -0.0001578200000000, 0.0001299400000000, -0.0002666700000000 ] - [ -0.0000604100000000, 0.0002874100000000, 0.0000091600000000 ] - [ -0.0001925600000000, 0.0006673400000000, -0.0009102500000000 ] - [ -0.0000375500000000, -0.0001581000000000, -0.0000057400000000 ] - [ 0.0001962800000000, 0.0000970400000000, 0.0003397600000000 ] - [ -0.0000927200000000, 0.0001425300000000, -0.0000066400000000 ] - [ -0.0001105400000000, 0.0000306300000000, 0.0000429800000000 ] - [ -0.0001459500000000, -0.0000381200000000, -0.0000231000000000 ] - [ 0.0002073600000000, -0.0001679600000000, 0.0002615800000000 ] - [ 0.0003076400000000, -0.0001670700000000, -0.0008715200000000 ] - [ 0.0000183800000000, -0.0000056800000000, 0.0000267500000000 ] - [ -0.0000117700000000, -0.0002175000000000, 0.0002553600000000 ] - [ -0.0000462100000000, 0.0000831700000000, -0.0000654800000000 ] - [ 0.0001487800000000, 0.0003174100000000, -0.0004303000000000 ] - [ 0.0002292200000000, -0.0001679400000000, -0.0000809700000000 ] - [ 0.0001812000000000, -0.0000967500000000, 0.0003331900000000 ] - [ 0.0000247200000000, 0.0002601800000000, 0.0002861500000000 ] - [ -0.0000992000000000, -0.0000444200000000, -0.0000435200000000 ] - [ -0.0003373600000000, -0.0001800400000000, 0.0005458100000000 ] - [ -0.0000112200000000, -0.0000259900000000, -0.0000342300000000 ] - [ -0.0000586400000000, 0.0000807800000000, -0.0003281900000000 ] - [ 0.0000730400000000, -0.0000687700000000, -0.0000108800000000 ] - [ -0.0002472600000000, 0.0000432700000000, 0.0000247800000000 ] - [ -0.0000545900000000, -0.0004615900000000, -0.0001176400000000 ] - [ 0.0004418600000000, 0.0006129900000000, 0.0000348900000000 ] - [ 0.0000133300000000, -0.0001537600000000, -0.0000325700000000 ] - [ -0.0000302500000000, -0.0002734400000000, -0.0026696800000000 ] - [ -0.0001019500000000, 0.0000313300000000, -0.0000270700000000 ] - [ 0.0000015500000000, 0.0000230200000000, -0.0001003900000000 ] - [ 0.0001307800000000, -0.0001380100000000, -0.0006329200000000 ] - [ 0.0003365400000000, 0.0000473800000000, 0.0000466600000000 ] - [ 0.0001160500000000, 0.0003515700000000, 0.0007256200000000 ] - [ -0.0003620800000000, 0.0004865700000000, 0.0005118700000000 ] - [ -0.0001559100000000, -0.0000914800000000, -0.0001756400000000 ] - [ -0.0001273600000000, -0.0000607400000000, 0.0001223900000000 ] - [ -0.0001487100000000, -0.0002206000000000, 0.0001012200000000 ] - [ 0.0001629700000000, -0.0000535000000000, -0.0000330000000000 ] - [ 0.0002165900000000, 0.0002607700000000, -0.0001956900000000 ] - [ -0.0000141200000000, -0.0000927600000000, -0.0001431300000000 ] - [ 0.0000332400000000, 0.0003871100000000, -0.0001113900000000 ] - [ -0.0001726200000000, -0.0031253300000000, 0.0024688000000000 ] - [ -0.0000722200000000, 0.0001155600000000, -0.0002991800000000 ] - [ -0.0019087000000000, 0.0061101500000000, 0.0200863800000000 ] - [ -0.0001552600000000, 0.0000525000000000, 0.0002554500000000 ] - [ -0.0000100400000000, -0.0000238200000000, 0.0002823200000000 ] - [ 0.0000982500000000, -0.0001261900000000, -0.0001627400000000 ] - [ 0.0000507000000000, -0.0000263400000000, -0.0001665200000000 ] - [ 0.0000273000000000, 0.0000557800000000, 0.0000239600000000 ] - [ -0.0000911600000000, -0.0000918100000000, 0.0000807500000000 ] - [ 0.0124831100000000, -0.0291390600000000, 0.0302811500000000 ] - [ -0.0000119600000000, -0.0000439900000000, 0.0002703500000000 ] - [ -0.0001888400000000, 0.0000763100000000, -0.0000667800000000 ] - [ -0.0000988200000000, -0.0001108200000000, -0.0002542900000000 ] - [ -0.0000792700000000, 0.0000123300000000, 0.0000060300000000 ] - [ 0.0000827400000000, 0.0000838400000000, 0.0001771200000000 ] - [ 0.0001926300000000, 0.0000049900000000, 0.0011296500000000 ] - [ 0.0000271200000000, -0.0001562700000000, -0.0010689500000000 ] - [ -0.0001627800000000, 0.0000610600000000, 0.0000386800000000 ] - [ -0.0006413100000000, 0.0014633800000000, 0.0008224000000000 ] - [ 0.0000169000000000, 0.0000653200000000, 0.0001758000000000 ] - [ -0.0000582900000000, -0.0000795700000000, 0.0001235800000000 ] - [ 0.0000045800000000, -0.0001063500000000, 0.0017989300000000 ] - [ -0.0067274000000000, 0.0135868500000000, -0.0577313900000000 ] - [ -0.0000325700000000, 0.0000279600000000, 0.0000888700000000 ] - [ 0.0000352100000000, 0.0000506000000000, 0.0001026800000000 ] - [ 0.0000245200000000, 0.0000366300000000, -0.0000434200000000 ] - [ -0.0047206600000000, 0.0104106800000000, 0.0018466100000000 ] - [ 0.0000396100000000, -0.0001557600000000, 0.0000537500000000 ] - [ -0.0001249700000000, 0.0001721900000000, 0.0000677800000000 ] - [ -0.0001625600000000, -0.0001753500000000, -0.0002249200000000 ] - [ 0.0000919200000000, -0.0003830700000000, -0.0006710500000000 ] - [ -0.0000687800000000, -0.0001233900000000, 0.0003236600000000 ] - [ 0.0002275700000000, 0.0002661200000000, 0.0002957900000000 ] - [ 0.0000465200000000, 0.0000970500000000, -0.0005204800000000 ] - [ -0.0000055900000000, -0.0000246400000000, 0.0003896800000000 ] - [ 0.0002363000000000, 0.0001599300000000, -0.0003824300000000 ] - [ -0.0001027700000000, 0.0000283100000000, -0.0001132100000000 ] - [ 0.0001899100000000, -0.0004809200000000, 0.0014864300000000 ] - [ 0.0000717800000000, -0.0003111400000000, 0.0000330000000000 ] - [ 0.0001801000000000, 0.0001393000000000, -0.0002910600000000 ] - [ -0.0002642000000000, -0.0002478700000000, 0.0004913800000000 ] - [ 0.0008836700000000, 0.0004808900000000, -0.0010153100000000 ] - [ 0.0005351600000000, 0.0001415300000000, -0.0001718800000000 ] - [ -0.0002878600000000, 0.0001223000000000, -0.0006988900000000 ] - [ -0.0004081400000000, -0.0006263800000000, -0.0001240000000000 ] - [ 0.0000071600000000, 0.0001249000000000, -0.0000940200000000 ] - [ -0.0009753700000000, -0.0010152400000000, 0.0037693800000000 ] - [ 0.0001578800000000, 0.0001394100000000, -0.0000357800000000 ] - [ -0.0000146800000000, -0.0000955800000000, 0.0000209700000000 ] - [ 0.0000048200000000, -0.0000082800000000, 0.0002189900000000 ] - [ -0.0004789000000000, -0.0001406200000000, 0.0001956100000000 ] - [ 0.0001142000000000, 0.0000450600000000, -0.0001350800000000 ] - [ -0.0004116100000000, -0.0002408200000000, 0.0000971000000000 ] - [ 0.0001967900000000, -0.0009699000000000, 0.0009643200000000 ] - [ -0.0005469700000000, -0.0007826900000000, -0.0005623500000000 ] - [ 0.0000317600000000, 0.0001363300000000, -0.0001868100000000 ] - [ 0.0001596700000000, -0.0002289800000000, 0.0000511000000000 ] - [ -0.0000395300000000, -0.0000281000000000, 0.0000833000000000 ] - [ -0.0000948800000000, 0.0000577700000000, -0.0001379700000000 ] - [ 0.0005202500000000, -0.0004564800000000, -0.0008404000000000 ] - [ 0.0001822600000000, 0.0001198600000000, 0.0000191400000000 ] - [ 0.0000046500000000, -0.0003883900000000, 0.0002837400000000 ] - [ -0.0001728600000000, -0.0000501100000000, 0.0000767500000000 ] - [ 0.0001963400000000, 0.0014938800000000, 0.0000482700000000 ] - [ -0.0001704800000000, -0.0000713500000000, -0.0000454800000000 ] - [ 0.0000407000000000, -0.0001114300000000, -0.0001051300000000 ] - [ 0.0000634900000000, 0.0001808300000000, 0.0000053900000000 ] - [ 0.0001633500000000, 0.0001526800000000, 0.0002774400000000 ] - [ 0.0000120400000000, -0.0001225400000000, -0.0000467800000000 ] - [ 0.0002671100000000, 0.0016157500000000, -0.0001655300000000 ] - [ 0.0017068800000000, 0.0000252100000000, 0.0000398000000000 ] - [ -0.0008910100000000, 0.0008629200000000, 0.0001000400000000 ] - [ 0.0002813200000000, 0.0002588500000000, -0.0000511600000000 ] - [ 0.0000489800000000, -0.0001243900000000, -0.0001338800000000 ] - [ -0.0000780800000000, -0.0000703600000000, -0.0002223300000000 ] - [ -0.0010548200000000, 0.0006274000000000, -0.0004443300000000 ] - [ -0.0000418100000000, 0.0001557500000000, 0.0001264700000000 ] - [ 0.0000206900000000, -0.0002443000000000, 0.0001817900000000 ] - [ 0.0000958400000000, -0.0003877900000000, 0.0001766800000000 ] - [ 0.0007131500000000, -0.0004194600000000, 0.0008968800000000 ] - [ 0.0005002600000000, 0.0002857500000000, 0.0000320000000000 ] - [ -0.0000995800000000, -0.0001298200000000, -0.0000246400000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0006153100000000, -0.0000180500000000, 0.0005418000000000 ] - [ 0.0000252500000000, 0.0001528600000000, -0.0001075400000000 ] - [ 0.0002186500000000, -0.0001812800000000, -0.0002497500000000 ] - [ 0.0000839000000000, -0.0000456900000000, -0.0000175900000000 ] - [ -0.0001837900000000, -0.0000441400000000, -0.0001732200000000 ] - [ 0.0000043300000000, 0.0000490900000000, -0.0000134200000000 ] - [ 0.0002047700000000, -0.0002004000000000, 0.0002960500000000 ] - [ 0.0001115400000000, -0.0002202200000000, -0.0000348800000000 ] - [ 0.0003021900000000, -0.0006920200000000, 0.0008708000000000 ] - [ 0.0001504500000000, 0.0001868500000000, 0.0000445700000000 ] - [ -0.0003102000000000, -0.0001232000000000, -0.0003069900000000 ] - [ -0.0000194400000000, -0.0001185600000000, -0.0000265200000000 ] - [ -0.0001866800000000, 0.0001185500000000, 0.0000242800000000 ] - [ -0.0001495800000000, -0.0001124400000000, -0.0000423200000000 ] - [ 0.0000920400000000, 0.0003099900000000, -0.0003216900000000 ] - [ 0.0000123200000000, 0.0000218600000000, 0.0009161000000000 ] - [ -0.0000068600000000, -0.0000123200000000, -0.0000677800000000 ] - [ 0.0000271000000000, 0.0002355900000000, -0.0002148700000000 ] - [ 0.0000348500000000, -0.0001002800000000, 0.0001112900000000 ] - [ -0.0001609600000000, -0.0003030100000000, 0.0003852300000000 ] - [ -0.0000517600000000, 0.0002603500000000, -0.0000853800000000 ] - [ -0.0000112000000000, 0.0000056300000000, -0.0001681700000000 ] - [ -0.0001956300000000, -0.0001672800000000, -0.0001220600000000 ] - [ -0.0000731100000000, -0.0000457100000000, -0.0001197500000000 ] - [ 0.0003892800000000, 0.0002930700000000, -0.0004970100000000 ] - [ 0.0000620300000000, -0.0000881300000000, -0.0000163800000000 ] - [ 0.0000096400000000, 0.0000302100000000, 0.0002714500000000 ] - [ -0.0001230100000000, -0.0000423100000000, 0.0000680000000000 ] - [ 0.0002029200000000, 0.0003673600000000, -0.0000221300000000 ] - [ 0.0000087300000000, 0.0000514400000000, 0.0001153600000000 ] - [ -0.0003907500000000, -0.0001875000000000, -0.0000320700000000 ] - [ 0.0000328500000000, -0.0002580200000000, 0.0000413900000000 ] - [ -0.0001188000000000, 0.0002381000000000, 0.0029097100000000 ] - [ -0.0000565600000000, -0.0000147200000000, -0.0001477600000000 ] - [ 0.0001570600000000, -0.0000408300000000, -0.0000769300000000 ] - [ 0.0000310700000000, 0.0001487700000000, 0.0008168500000000 ] - [ -0.0000607300000000, 0.0000668900000000, -0.0003925100000000 ] - [ 0.0001655100000000, -0.0004696400000000, -0.0003935400000000 ] - [ 0.0000804400000000, -0.0003694600000000, -0.0001780600000000 ] - [ -0.0001229800000000, -0.0000219600000000, -0.0001536600000000 ] - [ -0.0001485500000000, -0.0000320900000000, -0.0001209100000000 ] - [ -0.0001297700000000, 0.0003144000000000, -0.0001043700000000 ] - [ 0.0001128800000000, -0.0000375800000000, 0.0000362200000000 ] - [ 0.0000597300000000, -0.0001693900000000, 0.0001926300000000 ] - [ 0.0000004800000000, 0.0000139000000000, -0.0002573900000000 ] - [ -0.0000475600000000, -0.0003201600000000, 0.0005220500000000 ] - [ 0.0001793700000000, 0.0030296500000000, -0.0020543200000000 ] - [ 0.0000842000000000, -0.0000419200000000, -0.0000959300000000 ] - [ 0.0015566600000000, -0.0054897000000000, -0.0197658500000000 ] - [ 0.0000282700000000, -0.0001070000000000, 0.0000564200000000 ] - [ 0.0001376300000000, 0.0000765200000000, 0.0000286600000000 ] - [ 0.0000284700000000, 0.0000752000000000, -0.0001472700000000 ] - [ 0.0001059900000000, -0.0000903300000000, 0.0001436700000000 ] - [ 0.0001286900000000, 0.0000601200000000, 0.0000031600000000 ] - [ -0.0000654200000000, -0.0000230800000000, -0.0000529000000000 ] - [ -0.0122270500000000, 0.0282791800000000, -0.0296774600000000 ] - [ -0.0001012300000000, -0.0001739300000000, 0.0000704800000000 ] - [ 0.0000778500000000, 0.0001400300000000, -0.0002744700000000 ] - [ 0.0002104600000000, -0.0001048700000000, -0.0000805500000000 ] - [ 0.0001893800000000, 0.0001975800000000, 0.0003321100000000 ] - [ 0.0001207300000000, 0.0000359800000000, 0.0000466200000000 ] - [ 0.0000077700000000, -0.0001229700000000, -0.0013792200000000 ] - [ -0.0002338000000000, 0.0002835900000000, 0.0008437500000000 ] - [ -0.0000400800000000, -0.0001806400000000, 0.0001837900000000 ] - [ 0.0007162500000000, -0.0016493800000000, -0.0012730100000000 ] - [ 0.0000442600000000, 0.0000871300000000, 0.0002306000000000 ] - [ -0.0000028700000000, -0.0000734600000000, 0.0002816500000000 ] - [ -0.0000675100000000, 0.0002632300000000, -0.0022123400000000 ] - [ 0.0064478400000000, -0.0131858500000000, 0.0562020700000000 ] - [ -0.0000330700000000, 0.0000095700000000, 0.0001381700000000 ] - [ 0.0000319100000000, -0.0000888500000000, 0.0001232500000000 ] - [ 0.0000429700000000, 0.0000006000000000, -0.0001836600000000 ] - [ 0.0050248000000000, -0.0102748000000000, -0.0019158600000000 ] - [ 0.0002847200000000, 0.0000732200000000, -0.0000035000000000 ] - [ -0.0001973900000000, -0.0000884300000000, -0.0000184400000000 ] - [ -0.0001597300000000, 0.0000964200000000, 0.0001839000000000 ] - [ -0.0001459100000000, 0.0005108700000000, 0.0001345900000000 ] - [ 0.0000135200000000, -0.0000102900000000, 0.0002188400000000 ] - [ -0.0001727200000000, -0.0001312300000000, 0.0002407500000000 ] - [ 0.0000071500000000, -0.0002317300000000, -0.0000133800000000 ] - [ 0.0001460900000000, 0.0002068100000000, 0.0000190700000000 ] - [ -0.0001002300000000, -0.0003373300000000, -0.0000330000000000 ] - [ -0.0000343000000000, 0.0001477800000000, -0.0003122500000000 ] - [ -0.0003268200000000, 0.0003067100000000, -0.0010543500000000 ] - [ 0.0002565100000000, 0.0001571700000000, 0.0002852500000000 ] - [ 0.0001463400000000, 0.0000209900000000, -0.0000266400000000 ] - [ -0.0000719100000000, 0.0000865600000000, -0.0008090900000000 ] - [ -0.0012038700000000, -0.0003181600000000, 0.0013227700000000 ] - [ -0.0004780700000000, -0.0004031300000000, 0.0000207500000000 ] - [ 0.0003434800000000, 0.0001416200000000, 0.0008559600000000 ] - [ 0.0003469300000000, 0.0003581300000000, 0.0002796300000000 ] - [ -0.0000624500000000, 0.0001369100000000, -0.0000668700000000 ] - [ 0.0009648600000000, 0.0010598000000000, -0.0037812300000000 ] - [ -0.0001768700000000, -0.0001736800000000, 0.0000532600000000 ] - [ 0.0000315200000000, 0.0001252500000000, 0.0000011300000000 ] - [ 0.0000122900000000, -0.0000250100000000, -0.0002469000000000 ] - [ 0.0005112700000000, 0.0000584300000000, -0.0000621600000000 ] - [ -0.0000969600000000, 0.0000431700000000, -0.0000052100000000 ] - [ 0.0003909900000000, 0.0001570200000000, -0.0002380400000000 ] - [ -0.0001973900000000, 0.0010530700000000, -0.0008276000000000 ] - [ 0.0004097200000000, 0.0006522600000000, 0.0006198100000000 ] - [ -0.0001564000000000, -0.0000305000000000, 0.0001490700000000 ] - [ -0.0000345200000000, 0.0001247200000000, -0.0000835000000000 ] - [ 0.0001638500000000, 0.0001334000000000, -0.0000519400000000 ] - [ -0.0001171900000000, 0.0000644400000000, 0.0002810000000000 ] - [ -0.0007038500000000, 0.0003274600000000, 0.0007180400000000 ] - [ 0.0000309900000000, -0.0000016800000000, -0.0001687300000000 ] - [ 0.0002080400000000, 0.0002697300000000, -0.0001371900000000 ] - [ 0.0000893200000000, 0.0000033000000000, -0.0000714200000000 ] - [ -0.0002715100000000, -0.0014391200000000, -0.0000531100000000 ] - [ 0.0002599000000000, 0.0000224800000000, 0.0000369200000000 ] - [ 0.0000412300000000, 0.0001614900000000, 0.0001089200000000 ] - [ -0.0001011400000000, -0.0001614900000000, -0.0001386700000000 ] - [ -0.0002043100000000, -0.0001727100000000, -0.0001457600000000 ] - [ 0.0000251900000000, 0.0001430700000000, 0.0001738600000000 ] - [ -0.0002195200000000, -0.0016200100000000, 0.0000567700000000 ] - [ -0.0018203200000000, 0.0002197000000000, -0.0000061900000000 ] - [ 0.0007690900000000, -0.0011115200000000, -0.0001376600000000 ] - [ -0.0001776600000000, -0.0000181600000000, 0.0000109400000000 ] - [ 0.0000619200000000, -0.0001201100000000, 0.0001680000000000 ] - [ -0.0000173100000000, 0.0002485300000000, 0.0001638900000000 ] - [ 0.0009395600000000, -0.0007990100000000, 0.0005218900000000 ] - [ 0.0001369400000000, 0.0000184200000000, -0.0000737900000000 ] - [ 0.0000758500000000, 0.0000689400000000, -0.0002362600000000 ] - [ -0.0000579300000000, 0.0004137700000000, 0.0000039000000000 ] - [ -0.0006843400000000, 0.0003820300000000, -0.0010813400000000 ] - [ -0.0005509100000000, -0.0002679900000000, -0.0002194300000000 ] - [ 0.0000649800000000, 0.0001075200000000, 0.0002040400000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0048141700000000, 0.0031357100000000, -0.0039160100000000 ] - [ 0.0003082600000000, 0.0001769700000000, -0.0004123200000000 ] - [ 0.0001620400000000, 0.0000941100000000, 0.0000029100000000 ] - [ 0.0000856500000000, -0.0000143800000000, -0.0000165800000000 ] - [ -0.0001627600000000, -0.0000293900000000, -0.0002267100000000 ] - [ -0.0000372600000000, 0.0000398500000000, -0.0000468500000000 ] - [ 0.0001193000000000, -0.0000178200000000, 0.0001092400000000 ] - [ -0.0000736100000000, 0.0000095600000000, 0.0000757300000000 ] - [ -0.0004364100000000, -0.0025677500000000, 0.0011602400000000 ] - [ 0.0004984300000000, -0.0002226300000000, 0.0006888200000000 ] - [ -0.0002263600000000, -0.0000073400000000, 0.0000063100000000 ] - [ -0.0000569200000000, -0.0000262500000000, -0.0000760600000000 ] - [ -0.0001014800000000, 0.0001190000000000, 0.0000298000000000 ] - [ -0.0001797200000000, -0.0000583500000000, 0.0000265600000000 ] - [ 0.0001814600000000, 0.0000795500000000, 0.0000810700000000 ] - [ 0.0001277800000000, 0.0002021700000000, 0.0001380600000000 ] - [ 0.0000043000000000, -0.0000136400000000, -0.0000563500000000 ] - [ -0.0001787300000000, -0.0000596500000000, 0.0001309200000000 ] - [ 0.0000201100000000, -0.0000065600000000, 0.0000242300000000 ] - [ -0.0001613800000000, -0.0001420900000000, 0.0000621700000000 ] - [ 0.0017896100000000, 0.0003923600000000, -0.0003444200000000 ] - [ 0.0000485500000000, 0.0002678300000000, 0.0008228800000000 ] - [ -0.0002026000000000, -0.0000143000000000, -0.0000186500000000 ] - [ -0.0000614700000000, -0.0000460000000000, -0.0001191500000000 ] - [ 0.0002895400000000, 0.0000913100000000, -0.0000168200000000 ] - [ -0.0000116700000000, -0.0000648100000000, -0.0001275200000000 ] - [ 0.0000947300000000, 0.0002024100000000, 0.0000248400000000 ] - [ -0.0001070700000000, 0.0002111200000000, -0.0003088000000000 ] - [ 0.0009993900000000, -0.0003032400000000, 0.0006955700000000 ] - [ -0.0001724100000000, -0.0002534500000000, -0.0000876900000000 ] - [ -0.0000211600000000, 0.0001907300000000, 0.0000162000000000 ] - [ 0.0000624700000000, -0.0001740200000000, -0.0000436600000000 ] - [ -0.0002178500000000, 0.0000590700000000, -0.0000291200000000 ] - [ -0.0000449300000000, -0.0000052600000000, -0.0001143300000000 ] - [ 0.0002742200000000, -0.0001313100000000, -0.0000761000000000 ] - [ -0.0001866100000000, 0.0003383800000000, 0.0001481500000000 ] - [ 0.0014954800000000, 0.0001296800000000, -0.0005559800000000 ] - [ -0.0002174100000000, -0.0005060800000000, -0.0004577600000000 ] - [ -0.0001181900000000, 0.0001127000000000, -0.0000144200000000 ] - [ -0.0001484900000000, -0.0000439900000000, -0.0002263100000000 ] - [ -0.0002664900000000, -0.0000287500000000, -0.0000406200000000 ] - [ 0.0003533800000000, 0.0005892000000000, 0.0010824100000000 ] - [ 0.0001506400000000, -0.0000311300000000, -0.0000322500000000 ] - [ 0.0001468000000000, 0.0000862300000000, 0.0000074800000000 ] - [ -0.0000128700000000, 0.0000378100000000, -0.0002306200000000 ] - [ -0.0000268900000000, 0.0000602300000000, 0.0001541100000000 ] - [ -0.0000696200000000, -0.0001915500000000, 0.0004153800000000 ] - [ 0.0000112900000000, 0.0000476200000000, -0.0001045800000000 ] - [ 0.0050911700000000, 0.0023482800000000, 0.0026300500000000 ] - [ 0.0005657600000000, -0.0005544500000000, -0.0005686500000000 ] - [ 0.0001445700000000, 0.0000408400000000, 0.0001063400000000 ] - [ 0.0001208700000000, -0.0001818600000000, -0.0001980200000000 ] - [ 0.0000278100000000, 0.0000086300000000, -0.0001019400000000 ] - [ 0.0001727100000000, -0.0000585500000000, -0.0000219000000000 ] - [ -0.0000736200000000, -0.0000998000000000, 0.0000074500000000 ] - [ -0.0000329500000000, 0.0000950500000000, 0.0007371600000000 ] - [ -0.0000869900000000, -0.0001245800000000, 0.0001322800000000 ] - [ 0.0000106900000000, 0.0000467400000000, -0.0001697100000000 ] - [ 0.0003075400000000, 0.0001076800000000, -0.0001282900000000 ] - [ 0.0000572900000000, 0.0000778500000000, 0.0002601300000000 ] - [ 0.0001107000000000, 0.0000418900000000, 0.0000990400000000 ] - [ 0.0001892500000000, -0.0001644500000000, -0.0010897500000000 ] - [ -0.0006769000000000, 0.0005914400000000, 0.0000571100000000 ] - [ 0.0005384700000000, -0.0002012400000000, 0.0005973600000000 ] - [ 0.0001824600000000, -0.0004104600000000, 0.0001434400000000 ] - [ 0.0000436700000000, 0.0000852500000000, 0.0001831800000000 ] - [ 0.0001186300000000, -0.0001820900000000, 0.0002489000000000 ] - [ 0.0000616200000000, -0.0004827600000000, -0.0009142200000000 ] - [ -0.0007348700000000, -0.0050621200000000, -0.0049767400000000 ] - [ 0.0001513100000000, 0.0001520400000000, 0.0002378600000000 ] - [ 0.0000754400000000, -0.0000592500000000, 0.0001500900000000 ] - [ 0.0000107100000000, 0.0000644000000000, -0.0001132100000000 ] - [ -0.0400401000000000, -0.0033410600000000, 0.0143584100000000 ] - [ 0.0010766100000000, 0.0003863800000000, 0.0000934500000000 ] - [ -0.0002120800000000, -0.0000220100000000, 0.0000328700000000 ] - [ -0.0002745100000000, 0.0000535200000000, -0.0001261800000000 ] - [ -0.0007231800000000, -0.0000937800000000, 0.0003181200000000 ] - [ 0.0001028600000000, -0.0000485400000000, 0.0001979500000000 ] - [ -0.0000296100000000, -0.0000046100000000, 0.0003031200000000 ] - [ 0.0000697200000000, -0.0001071900000000, -0.0003203100000000 ] - [ 0.0001236400000000, 0.0001323200000000, 0.0003700800000000 ] - [ -0.0000200800000000, 0.0001493800000000, -0.0007053600000000 ] - [ -0.0001827100000000, -0.0000712800000000, -0.0001141000000000 ] - [ 0.0000185700000000, -0.0000662300000000, 0.0001090500000000 ] - [ 0.0003294000000000, -0.0000675700000000, 0.0001498000000000 ] - [ 0.0000976900000000, 0.0000454400000000, -0.0000921200000000 ] - [ -0.0001953900000000, -0.0002234300000000, -0.0003309900000000 ] - [ -0.0000586700000000, 0.0001313700000000, -0.0000905700000000 ] - [ -0.0017112000000000, -0.0005592300000000, -0.0008155500000000 ] - [ 0.0010581700000000, 0.0000688500000000, 0.0003296200000000 ] - [ -0.0000006100000000, -0.0000951500000000, 0.0002208400000000 ] - [ -0.0000231800000000, 0.0001319600000000, -0.0000091400000000 ] - [ 0.0075178500000000, 0.0075962300000000, -0.0102755400000000 ] - [ -0.0006924700000000, -0.0002326400000000, -0.0000513900000000 ] - [ 0.0000878900000000, 0.0000269800000000, -0.0000463200000000 ] - [ 0.0000425800000000, 0.0000383600000000, 0.0000060100000000 ] - [ -0.0000579500000000, -0.0000877100000000, 0.0001662900000000 ] - [ -0.0000043700000000, 0.0000399400000000, -0.0000463100000000 ] - [ -0.0001833900000000, -0.0000143100000000, -0.0000951000000000 ] - [ 0.0002777400000000, 0.0000311000000000, -0.0002123100000000 ] - [ -0.0002185100000000, 0.0000820400000000, 0.0007082600000000 ] - [ -0.0001249700000000, 0.0000835300000000, 0.0002548800000000 ] - [ -0.0000780200000000, -0.0000708700000000, -0.0000127900000000 ] - [ 0.0001134900000000, 0.0000016300000000, 0.0000845300000000 ] - [ -0.0002422300000000, 0.0000584500000000, 0.0000576300000000 ] - [ 0.0005461200000000, -0.0004580300000000, -0.0005301200000000 ] - [ 0.0001230200000000, 0.0001244600000000, -0.0000788200000000 ] - [ 0.0002138100000000, 0.0001980200000000, -0.0001878200000000 ] - [ -0.0006738500000000, -0.0005295300000000, -0.0008300200000000 ] - [ 0.0019946900000000, 0.0036826100000000, 0.0000629800000000 ] - [ -0.0000929000000000, -0.0000503600000000, 0.0000696600000000 ] - [ 0.0000725700000000, 0.0000903300000000, 0.0000543600000000 ] - [ 0.0001241000000000, 0.0000931700000000, -0.0001376500000000 ] - [ -0.0000245100000000, 0.0001788300000000, -0.0004426200000000 ] - [ -0.0000434000000000, 0.0000201800000000, 0.0000660000000000 ] - [ 0.0007549200000000, 0.0007301300000000, 0.0000482700000000 ] - [ 0.0060758200000000, -0.0027496800000000, 0.0004871300000000 ] - [ 0.0116260400000000, -0.0029591900000000, -0.0000899700000000 ] - [ 0.0001823400000000, 0.0001693900000000, 0.0001430800000000 ] - [ 0.0000250100000000, -0.0001287200000000, 0.0000576500000000 ] - [ -0.0000322700000000, 0.0002374000000000, 0.0000820600000000 ] - [ -0.0010281300000000, -0.0001691900000000, 0.0001530100000000 ] - [ 0.0000441000000000, 0.0000484400000000, 0.0002308500000000 ] - [ -0.0005670200000000, -0.0005431300000000, 0.0007862100000000 ] - [ 0.0001171400000000, 0.0003305000000000, 0.0001934700000000 ] - [ -0.0002466600000000, -0.0000366600000000, -0.0002175400000000 ] - [ 0.0001079200000000, -0.0000336100000000, -0.0000058300000000 ] - [ -0.0000544300000000, 0.0000103700000000, 0.0001573900000000 ]- atom: 73 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0049972100000000, -0.0030989300000000, 0.0039370200000000 ] - [ -0.0005446100000000, -0.0001794200000000, 0.0003615400000000 ] - [ 0.0000768700000000, -0.0000948200000000, -0.0000540600000000 ] - [ 0.0001539100000000, 0.0000123800000000, 0.0000680700000000 ] - [ 0.0001078900000000, -0.0000447700000000, 0.0002011200000000 ] - [ -0.0000128500000000, 0.0000318200000000, 0.0000748300000000 ] - [ -0.0000687000000000, -0.0000557500000000, -0.0000826600000000 ] - [ 0.0001251800000000, 0.0000624700000000, -0.0001047900000000 ] - [ 0.0005617000000000, 0.0025198900000000, -0.0011850800000000 ] - [ -0.0003854300000000, 0.0002452300000000, -0.0006416200000000 ] - [ 0.0001182000000000, -0.0000196900000000, 0.0000317000000000 ] - [ -0.0000538600000000, 0.0000534800000000, 0.0000387300000000 ] - [ -0.0001983500000000, 0.0000301900000000, 0.0000358500000000 ] - [ -0.0001187900000000, -0.0000943500000000, -0.0000884900000000 ] - [ 0.0001163600000000, 0.0000704000000000, -0.0001471900000000 ] - [ 0.0001739200000000, -0.0003517800000000, -0.0000750300000000 ] - [ 0.0000141400000000, -0.0000069000000000, 0.0000142000000000 ] - [ 0.0002022700000000, 0.0000822400000000, -0.0000901300000000 ] - [ -0.0000386700000000, -0.0000149000000000, 0.0000189000000000 ] - [ 0.0001432400000000, 0.0001622300000000, -0.0001062300000000 ] - [ -0.0016171100000000, -0.0002919100000000, 0.0001976700000000 ] - [ 0.0001232500000000, -0.0003638600000000, -0.0006633800000000 ] - [ 0.0000268000000000, 0.0001069800000000, 0.0001858800000000 ] - [ -0.0001139100000000, -0.0000471200000000, -0.0000458400000000 ] - [ -0.0002509100000000, 0.0000178200000000, 0.0000701800000000 ] - [ 0.0000543800000000, -0.0000449800000000, 0.0000748400000000 ] - [ -0.0001375900000000, -0.0000918800000000, -0.0000794900000000 ] - [ 0.0000661900000000, -0.0003239000000000, 0.0003654500000000 ] - [ -0.0010575100000000, 0.0007218400000000, -0.0007083800000000 ] - [ 0.0001287600000000, -0.0001567700000000, 0.0000878800000000 ] - [ 0.0000669500000000, 0.0002213400000000, -0.0000189900000000 ] - [ -0.0000173000000000, -0.0002383300000000, 0.0000473400000000 ] - [ 0.0000591700000000, -0.0000774100000000, 0.0002071800000000 ] - [ -0.0001150900000000, 0.0000196000000000, -0.0000623500000000 ] - [ -0.0001124600000000, 0.0001166700000000, -0.0001033800000000 ] - [ 0.0003491100000000, -0.0003255200000000, 0.0000271400000000 ] - [ -0.0012318300000000, -0.0000213500000000, 0.0002184300000000 ] - [ 0.0004982100000000, 0.0003988300000000, 0.0007960900000000 ] - [ -0.0001605600000000, 0.0000028700000000, 0.0003481600000000 ] - [ -0.0001279500000000, -0.0000705800000000, -0.0001058000000000 ] - [ -0.0000091000000000, -0.0000666900000000, 0.0000448000000000 ] - [ -0.0006317800000000, -0.0005051000000000, -0.0011070100000000 ] - [ 0.0001254600000000, -0.0000638600000000, 0.0000295900000000 ] - [ 0.0001282800000000, 0.0000076700000000, -0.0000033900000000 ] - [ 0.0000009200000000, -0.0001170000000000, -0.0001666900000000 ] - [ 0.0000134000000000, 0.0000173000000000, 0.0002459600000000 ] - [ 0.0000827300000000, 0.0001151800000000, -0.0000202400000000 ] - [ 0.0000021500000000, 0.0000296600000000, -0.0002948800000000 ] - [ -0.0051505200000000, -0.0023366200000000, -0.0029784600000000 ] - [ -0.0007030800000000, 0.0004978200000000, 0.0008812100000000 ] - [ -0.0000134700000000, 0.0000154700000000, 0.0002043600000000 ] - [ 0.0000082700000000, 0.0001263400000000, -0.0001093100000000 ] - [ 0.0001280900000000, -0.0001232600000000, 0.0000763700000000 ] - [ -0.0000153300000000, 0.0001727200000000, 0.0000476200000000 ] - [ -0.0000827700000000, -0.0000130800000000, 0.0000185900000000 ] - [ -0.0001309300000000, 0.0000255600000000, -0.0007723600000000 ] - [ -0.0000271600000000, -0.0000938400000000, 0.0002069900000000 ] - [ -0.0001246400000000, 0.0001729900000000, -0.0001680300000000 ] - [ -0.0001947600000000, -0.0003280500000000, -0.0002095800000000 ] - [ 0.0000558800000000, 0.0001395100000000, 0.0000765000000000 ] - [ 0.0000928400000000, 0.0000796600000000, 0.0001227700000000 ] - [ 0.0000123000000000, 0.0000458800000000, 0.0008769300000000 ] - [ 0.0004898800000000, -0.0004713900000000, -0.0002924800000000 ] - [ -0.0007443600000000, 0.0000814100000000, -0.0003799800000000 ] - [ -0.0001226500000000, 0.0002605500000000, -0.0005487000000000 ] - [ 0.0000167100000000, 0.0000666900000000, 0.0002194700000000 ] - [ -0.0001784700000000, 0.0000271700000000, 0.0001537100000000 ] - [ -0.0001237300000000, 0.0006332100000000, 0.0005251200000000 ] - [ 0.0006387000000000, 0.0050220200000000, 0.0047692600000000 ] - [ -0.0002189400000000, -0.0001103000000000, -0.0000077300000000 ] - [ -0.0000084600000000, 0.0000194300000000, 0.0000772700000000 ] - [ 0.0000552800000000, -0.0000244300000000, -0.0001155900000000 ] - [ 0.0401345900000000, 0.0035453300000000, -0.0145745600000000 ] - [ -0.0007553000000000, -0.0004634600000000, -0.0000447500000000 ] - [ -0.0001105800000000, 0.0001029300000000, 0.0000133600000000 ] - [ -0.0000477600000000, -0.0001339700000000, 0.0000819900000000 ] - [ 0.0006648200000000, 0.0002294200000000, -0.0008244800000000 ] - [ -0.0001586800000000, -0.0000835300000000, 0.0003452200000000 ] - [ 0.0000856900000000, 0.0001369200000000, 0.0002383900000000 ] - [ -0.0000150200000000, -0.0000247700000000, -0.0002207400000000 ] - [ 0.0000095600000000, 0.0000391400000000, 0.0000439100000000 ] - [ 0.0001523300000000, -0.0003234600000000, 0.0002999900000000 ] - [ 0.0000493500000000, 0.0002448100000000, -0.0003044000000000 ] - [ -0.0001509700000000, -0.0001054500000000, 0.0003101200000000 ] - [ 0.0000012800000000, -0.0000855800000000, 0.0001605300000000 ] - [ 0.0002262400000000, 0.0001164100000000, -0.0002303900000000 ] - [ -0.0001307500000000, 0.0000617500000000, 0.0000116500000000 ] - [ -0.0002658000000000, 0.0000302100000000, 0.0004160600000000 ] - [ 0.0017529900000000, 0.0002906600000000, 0.0006697500000000 ] - [ -0.0010180800000000, 0.0001983200000000, -0.0001709500000000 ] - [ -0.0000516000000000, -0.0001672600000000, -0.0000692100000000 ] - [ -0.0000286600000000, 0.0001301200000000, -0.0001469200000000 ] - [ -0.0076251600000000, -0.0075885000000000, 0.0102947300000000 ] - [ 0.0006681100000000, 0.0001954700000000, 0.0000692500000000 ] - [ -0.0000700100000000, 0.0000096000000000, 0.0000695400000000 ] - [ -0.0000229900000000, -0.0000739900000000, -0.0000297300000000 ] - [ 0.0000789700000000, 0.0000012600000000, -0.0000261400000000 ] - [ 0.0000223400000000, 0.0000462100000000, -0.0000962000000000 ] - [ 0.0001658600000000, -0.0000716400000000, -0.0000457500000000 ] - [ -0.0003000400000000, 0.0000555600000000, 0.0003573300000000 ] - [ 0.0001084700000000, -0.0001911400000000, -0.0006758200000000 ] - [ 0.0000002800000000, 0.0000238800000000, -0.0002901800000000 ] - [ 0.0002038900000000, -0.0000361000000000, -0.0000190900000000 ] - [ 0.0000106900000000, 0.0001057400000000, -0.0000529200000000 ] - [ 0.0000348500000000, 0.0000603400000000, 0.0000892500000000 ] - [ -0.0007688200000000, 0.0003361200000000, 0.0003824900000000 ] - [ 0.0000878400000000, -0.0000045300000000, -0.0000690900000000 ] - [ -0.0000037400000000, -0.0003108200000000, 0.0003286500000000 ] - [ 0.0006014900000000, 0.0004759700000000, 0.0008317600000000 ] - [ -0.0020631500000000, -0.0036801100000000, -0.0000432700000000 ] - [ 0.0001723300000000, -0.0000008200000000, -0.0000740300000000 ] - [ 0.0000039200000000, -0.0000378600000000, -0.0000527200000000 ] - [ -0.0001618300000000, -0.0000750900000000, 0.0000077100000000 ] - [ -0.0000251400000000, -0.0002039600000000, 0.0005720800000000 ] - [ 0.0000836900000000, 0.0000004800000000, 0.0000625700000000 ] - [ -0.0007214800000000, -0.0007553700000000, -0.0001794200000000 ] - [ -0.0064754700000000, 0.0031564100000000, -0.0004143700000000 ] - [ -0.0112156100000000, 0.0025349900000000, 0.0001299000000000 ] - [ -0.0000731200000000, 0.0000740500000000, -0.0001765300000000 ] - [ 0.0000869100000000, -0.0001150100000000, -0.0000260800000000 ] - [ -0.0000688100000000, -0.0000581700000000, -0.0001385500000000 ] - [ 0.0009421500000000, -0.0000066400000000, -0.0000975900000000 ] - [ 0.0000557800000000, 0.0001328400000000, -0.0001776400000000 ] - [ 0.0006719200000000, 0.0003595900000000, -0.0008405200000000 ] - [ -0.0000873600000000, -0.0002984000000000, -0.0000080200000000 ] - [ 0.0002807200000000, 0.0000141400000000, 0.0000395800000000 ] - [ -0.0001415000000000, 0.0000618800000000, -0.0001742500000000 ] - [ 0.0000238600000000, -0.0000388600000000, 0.0000210300000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0036927200000000, 0.0009768100000000, -0.0028383800000000 ] - [ 0.0002903300000000, -0.0005969300000000, 0.0000267100000000 ] - [ -0.0000118100000000, 0.0002114100000000, 0.0000786300000000 ] - [ 0.0002404700000000, 0.0001471200000000, 0.0000558100000000 ] - [ 0.0000292000000000, -0.0000946300000000, -0.0002591400000000 ] - [ -0.0000226700000000, -0.0000888400000000, 0.0000231500000000 ] - [ -0.0000241700000000, 0.0001884400000000, -0.0001108200000000 ] - [ 0.0000827300000000, 0.0003790600000000, 0.0000280800000000 ] - [ -0.0018838800000000, 0.0048102000000000, -0.0042307500000000 ] - [ 0.0000507900000000, -0.0002808900000000, -0.0000618500000000 ] - [ 0.0002073500000000, 0.0001241800000000, 0.0001262700000000 ] - [ -0.0001324900000000, 0.0002754400000000, 0.0000153200000000 ] - [ -0.0001477700000000, -0.0000356100000000, 0.0000696100000000 ] - [ -0.0000905400000000, -0.0000075200000000, -0.0003880900000000 ] - [ 0.0001525400000000, 0.0004288100000000, 0.0000072900000000 ] - [ 0.0002390400000000, 0.0001573000000000, 0.0002660500000000 ] - [ 0.0000358800000000, -0.0000942300000000, 0.0000426000000000 ] - [ -0.0000079200000000, -0.0003345000000000, 0.0000177100000000 ] - [ -0.0000256500000000, 0.0001431700000000, -0.0000801400000000 ] - [ 0.0002243800000000, 0.0006174100000000, -0.0000723800000000 ] - [ 0.0003708900000000, -0.0002730400000000, -0.0001723800000000 ] - [ 0.0005848100000000, -0.0000457400000000, 0.0007996900000000 ] - [ 0.0001230500000000, 0.0004590100000000, 0.0000157700000000 ] - [ -0.0001006700000000, 0.0000248600000000, -0.0000820900000000 ] - [ -0.0001306200000000, -0.0003023500000000, 0.0001164600000000 ] - [ 0.0000058200000000, -0.0000810100000000, 0.0000216700000000 ] - [ -0.0001055300000000, 0.0005245000000000, 0.0000178200000000 ] - [ -0.0000854900000000, 0.0002156700000000, -0.0005618400000000 ] - [ 0.0002691300000000, -0.0004311100000000, -0.0000751200000000 ] - [ -0.0000803700000000, -0.0004790700000000, 0.0000852500000000 ] - [ 0.0002609400000000, 0.0005935400000000, -0.0000824900000000 ] - [ 0.0000068900000000, -0.0000416400000000, -0.0000855300000000 ] - [ -0.0000726200000000, -0.0000805500000000, 0.0005697100000000 ] - [ -0.0000819000000000, 0.0000310500000000, -0.0000537900000000 ] - [ -0.0003986600000000, 0.0003132800000000, 0.0001109500000000 ] - [ -0.0000559200000000, 0.0003169800000000, -0.0001564200000000 ] - [ -0.0000078200000000, -0.0003633900000000, 0.0000904500000000 ] - [ 0.0001246700000000, 0.0005197500000000, 0.0013026600000000 ] - [ -0.0002132800000000, 0.0004463800000000, 0.0001377400000000 ] - [ -0.0001226600000000, -0.0000494200000000, -0.0001676800000000 ] - [ -0.0000883800000000, -0.0000418000000000, 0.0002164800000000 ] - [ -0.0001621000000000, -0.0001816700000000, 0.0001621900000000 ] - [ 0.0001684000000000, -0.0000453300000000, -0.0000896100000000 ] - [ 0.0002381200000000, 0.0004950500000000, -0.0001488300000000 ] - [ -0.0000522000000000, -0.0002057200000000, -0.0002450600000000 ] - [ -0.0000232200000000, -0.0000864600000000, 0.0000938900000000 ] - [ 0.0002698900000000, 0.0007994100000000, -0.0001234800000000 ] - [ 0.0000056600000000, 0.0004368300000000, -0.0004098200000000 ] - [ 0.0013193800000000, 0.0028893900000000, -0.0052225000000000 ] - [ -0.0003546200000000, 0.0001404700000000, 0.0006328800000000 ] - [ -0.0001922400000000, -0.0001810400000000, 0.0002855400000000 ] - [ 0.0000150300000000, 0.0000644600000000, -0.0000968700000000 ] - [ 0.0001154400000000, -0.0001716500000000, 0.0001198400000000 ] - [ 0.0000214500000000, 0.0001164800000000, -0.0001061100000000 ] - [ -0.0001488800000000, -0.0000513200000000, 0.0002047200000000 ] - [ -0.0003015100000000, -0.0000748000000000, -0.0014010500000000 ] - [ -0.0000226500000000, -0.0000774000000000, 0.0001032900000000 ] - [ -0.0001463200000000, -0.0000514500000000, -0.0001847300000000 ] - [ 0.0005454000000000, 0.0001570000000000, -0.0003452200000000 ] - [ 0.0001362600000000, 0.0005744800000000, 0.0001942600000000 ] - [ 0.0000738900000000, 0.0000806600000000, 0.0001776700000000 ] - [ -0.0000011200000000, 0.0001930100000000, 0.0021298500000000 ] - [ -0.0005759500000000, 0.0013226100000000, -0.0016546600000000 ] - [ -0.0002227200000000, 0.0003442200000000, 0.0001536900000000 ] - [ -0.0002490700000000, 0.0005370200000000, -0.0010429300000000 ] - [ 0.0000144500000000, 0.0000903200000000, 0.0002056400000000 ] - [ 0.0000324400000000, -0.0000785700000000, -0.0001735200000000 ] - [ -0.0000235400000000, -0.0002766900000000, -0.0000587700000000 ] - [ -0.0041595000000000, 0.0076915400000000, 0.0101666000000000 ] - [ -0.0001630400000000, 0.0000681200000000, -0.0000041100000000 ] - [ 0.0000634300000000, 0.0001134400000000, -0.0000199500000000 ] - [ 0.0000596200000000, -0.0001080000000000, 0.0000239700000000 ] - [ -0.0033035600000000, -0.0519690400000000, 0.0281125000000000 ] - [ -0.0002661200000000, -0.0004521300000000, 0.0002886500000000 ] - [ -0.0000986900000000, 0.0003848800000000, -0.0000356400000000 ] - [ -0.0000676200000000, 0.0000532800000000, 0.0000304700000000 ] - [ -0.0002160600000000, -0.0006860100000000, -0.0017615200000000 ] - [ 0.0000334900000000, -0.0002689900000000, 0.0003182100000000 ] - [ 0.0000589900000000, 0.0004307500000000, 0.0002716400000000 ] - [ 0.0000168600000000, 0.0001283200000000, -0.0003164900000000 ] - [ 0.0001197000000000, 0.0002198400000000, 0.0001309500000000 ] - [ 0.0003283600000000, 0.0004876400000000, -0.0001313000000000 ] - [ -0.0001681900000000, -0.0002433400000000, 0.0001024900000000 ] - [ -0.0002217200000000, -0.0010411200000000, 0.0002202000000000 ] - [ -0.0000522400000000, -0.0002792400000000, 0.0007417900000000 ] - [ 0.0001745400000000, 0.0002578500000000, -0.0001783500000000 ] - [ -0.0003867000000000, -0.0005668100000000, -0.0000069700000000 ] - [ -0.0004667900000000, -0.0006486000000000, 0.0001640700000000 ] - [ 0.0002980200000000, 0.0002208900000000, -0.0003695000000000 ] - [ -0.0002978300000000, 0.0002580100000000, -0.0012006100000000 ] - [ -0.0002215500000000, -0.0007440400000000, 0.0001044200000000 ] - [ -0.0000363900000000, 0.0000528500000000, -0.0000431600000000 ] - [ 0.0066604500000000, 0.0199124200000000, -0.0237276800000000 ] - [ -0.0001926500000000, 0.0004868400000000, -0.0002756000000000 ] - [ 0.0000514400000000, -0.0002875300000000, 0.0000287100000000 ] - [ -0.0001203800000000, -0.0002389800000000, 0.0000123900000000 ] - [ 0.0000874800000000, 0.0002552100000000, -0.0000156500000000 ] - [ 0.0000824600000000, 0.0001300900000000, 0.0000397900000000 ] - [ 0.0000979900000000, -0.0004424700000000, -0.0001786000000000 ] - [ -0.0003386500000000, -0.0004553300000000, 0.0005050500000000 ] - [ -0.0000707300000000, 0.0019663600000000, 0.0003879100000000 ] - [ 0.0000806100000000, 0.0002990200000000, -0.0002229300000000 ] - [ 0.0001554100000000, -0.0003812900000000, 0.0000525700000000 ] - [ 0.0000313900000000, -0.0000820400000000, 0.0001060700000000 ] - [ -0.0001494500000000, -0.0000810800000000, -0.0001332200000000 ] - [ -0.0009228600000000, 0.0009490400000000, -0.0004865900000000 ] - [ 0.0001583400000000, 0.0001166800000000, -0.0000065700000000 ] - [ -0.0001117000000000, -0.0011974400000000, 0.0010213500000000 ] - [ -0.0003851500000000, -0.0006060000000000, -0.0006486000000000 ] - [ 0.0043511500000000, 0.0090650500000000, -0.0002516600000000 ] - [ 0.0002955500000000, 0.0000754800000000, -0.0001912600000000 ] - [ 0.0000319400000000, -0.0001556400000000, 0.0000957500000000 ] - [ 0.0000052600000000, 0.0002572400000000, -0.0001225200000000 ] - [ 0.0006499400000000, 0.0007735900000000, 0.0008190800000000 ] - [ 0.0001049100000000, -0.0001679700000000, 0.0000264400000000 ] - [ -0.0011144200000000, -0.0016185900000000, -0.0003955400000000 ] - [ -0.0023300300000000, 0.0032991200000000, -0.0004229300000000 ] - [ -0.0032767500000000, 0.0021918800000000, -0.0003740300000000 ] - [ -0.0002197000000000, -0.0000829100000000, -0.0001792700000000 ] - [ 0.0001282800000000, -0.0002651200000000, 0.0000556600000000 ] - [ -0.0000622600000000, -0.0002486900000000, -0.0002383100000000 ] - [ 0.0018380100000000, -0.0003650900000000, -0.0004347000000000 ] - [ 0.0000774100000000, 0.0002833000000000, 0.0001274900000000 ] - [ -0.0002907500000000, -0.0006881500000000, 0.0007345000000000 ] - [ 0.0000008600000000, -0.0011424100000000, -0.0005887900000000 ] - [ 0.0003581400000000, 0.0000515600000000, 0.0003345700000000 ] - [ -0.0001789200000000, 0.0001624200000000, -0.0001645300000000 ] - [ -0.0000901400000000, -0.0000699900000000, 0.0001799800000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0039099600000000, -0.0009889000000000, 0.0028804800000000 ] - [ -0.0005292900000000, 0.0005922000000000, -0.0000819200000000 ] - [ 0.0002558000000000, -0.0002061600000000, -0.0001327400000000 ] - [ 0.0000027400000000, -0.0001541400000000, -0.0000025600000000 ] - [ -0.0000853200000000, 0.0000272300000000, 0.0002316500000000 ] - [ -0.0000315800000000, 0.0001554400000000, 0.0000050100000000 ] - [ 0.0000779900000000, -0.0002548900000000, 0.0001413100000000 ] - [ -0.0000282600000000, -0.0003134100000000, -0.0000555800000000 ] - [ 0.0019512900000000, -0.0047582900000000, 0.0041435300000000 ] - [ 0.0000624100000000, 0.0003078600000000, 0.0000944200000000 ] - [ -0.0003239000000000, -0.0001481100000000, -0.0000913400000000 ] - [ 0.0000175000000000, -0.0002520500000000, -0.0000506500000000 ] - [ -0.0001457900000000, 0.0001837800000000, -0.0000048500000000 ] - [ -0.0002014700000000, -0.0001454200000000, 0.0003241500000000 ] - [ 0.0001415100000000, -0.0002825600000000, -0.0000720400000000 ] - [ 0.0000541000000000, -0.0003058600000000, -0.0002018200000000 ] - [ -0.0000311300000000, 0.0000816100000000, -0.0000877000000000 ] - [ 0.0000147000000000, 0.0003466200000000, 0.0000253200000000 ] - [ 0.0000202500000000, -0.0001551300000000, 0.0001244400000000 ] - [ -0.0002291100000000, -0.0006049000000000, 0.0000292300000000 ] - [ -0.0001900000000000, 0.0003651400000000, 0.0000107200000000 ] - [ -0.0004184700000000, -0.0000479100000000, -0.0006369700000000 ] - [ -0.0002912000000000, -0.0003719900000000, 0.0001469900000000 ] - [ -0.0000676700000000, -0.0001129700000000, -0.0000827300000000 ] - [ 0.0001886400000000, 0.0004182600000000, -0.0000618700000000 ] - [ 0.0000521500000000, -0.0000335200000000, -0.0000763800000000 ] - [ 0.0000489700000000, -0.0004119300000000, -0.0000717200000000 ] - [ 0.0000302100000000, -0.0003297600000000, 0.0006212400000000 ] - [ -0.0003134400000000, 0.0008410500000000, 0.0000857300000000 ] - [ 0.0000334200000000, 0.0000658200000000, -0.0000963300000000 ] - [ -0.0002133500000000, -0.0001794600000000, 0.0000759600000000 ] - [ 0.0000394900000000, -0.0003699200000000, 0.0000948100000000 ] - [ -0.0000870200000000, 0.0000639900000000, -0.0003922200000000 ] - [ -0.0000755300000000, -0.0000114300000000, -0.0001208900000000 ] - [ 0.0005535600000000, -0.0003330700000000, -0.0002851100000000 ] - [ 0.0002157100000000, -0.0003045600000000, 0.0003356700000000 ] - [ 0.0002901000000000, 0.0004814400000000, -0.0004200900000000 ] - [ 0.0001551200000000, -0.0006366900000000, -0.0009653000000000 ] - [ -0.0000694800000000, -0.0003326300000000, 0.0001931700000000 ] - [ -0.0001613800000000, -0.0000659400000000, -0.0001643900000000 ] - [ -0.0001869300000000, -0.0000485600000000, -0.0002225100000000 ] - [ -0.0001109500000000, 0.0002732300000000, -0.0001539600000000 ] - [ 0.0001063800000000, -0.0000428200000000, 0.0000942100000000 ] - [ 0.0000368300000000, -0.0004075700000000, 0.0001443000000000 ] - [ 0.0000390200000000, 0.0001278700000000, -0.0001590600000000 ] - [ 0.0000098200000000, 0.0001640100000000, 0.0003095900000000 ] - [ -0.0002565300000000, -0.0008786300000000, 0.0005283700000000 ] - [ 0.0000078500000000, -0.0003593900000000, 0.0000083100000000 ] - [ -0.0013814900000000, -0.0030790700000000, 0.0048388200000000 ] - [ 0.0002311400000000, -0.0001900300000000, -0.0003187000000000 ] - [ 0.0003165700000000, 0.0002298100000000, 0.0000262100000000 ] - [ 0.0001107900000000, -0.0001160200000000, -0.0002179500000000 ] - [ 0.0000403400000000, 0.0000546500000000, -0.0001506300000000 ] - [ 0.0001341100000000, 0.0000012900000000, 0.0001345500000000 ] - [ -0.0000082100000000, -0.0000675500000000, -0.0001751800000000 ] - [ 0.0001382100000000, 0.0002132400000000, 0.0013756500000000 ] - [ -0.0000891400000000, -0.0001383800000000, 0.0002402800000000 ] - [ 0.0000349800000000, 0.0002662100000000, -0.0001592100000000 ] - [ -0.0004388900000000, -0.0003717500000000, 0.0000032200000000 ] - [ -0.0000246700000000, -0.0003619200000000, 0.0001500100000000 ] - [ 0.0001287900000000, 0.0000368200000000, 0.0000476600000000 ] - [ 0.0002037800000000, -0.0003112100000000, -0.0023657400000000 ] - [ 0.0003845700000000, -0.0012334800000000, 0.0014554600000000 ] - [ 0.0000203200000000, -0.0004626800000000, 0.0000737100000000 ] - [ 0.0003140700000000, -0.0006985300000000, 0.0006365300000000 ] - [ 0.0000473800000000, 0.0000632400000000, 0.0002035300000000 ] - [ -0.0000926600000000, -0.0000764300000000, 0.0005810600000000 ] - [ -0.0000350000000000, 0.0004317100000000, -0.0003495400000000 ] - [ 0.0041603500000000, -0.0078334300000000, -0.0105231600000000 ] - [ 0.0000957100000000, -0.0000327900000000, 0.0002282400000000 ] - [ 0.0000039300000000, -0.0001506500000000, 0.0002439600000000 ] - [ 0.0000072200000000, 0.0001463000000000, -0.0002511900000000 ] - [ 0.0035896600000000, 0.0524226900000000, -0.0272975700000000 ] - [ 0.0005841200000000, 0.0003621300000000, -0.0002352800000000 ] - [ -0.0002237400000000, -0.0002990900000000, 0.0000881600000000 ] - [ -0.0002553800000000, -0.0001391600000000, -0.0000824500000000 ] - [ 0.0001665300000000, 0.0008090000000000, 0.0012403700000000 ] - [ -0.0000888500000000, 0.0001323500000000, 0.0002205400000000 ] - [ -0.0000050900000000, -0.0002951900000000, 0.0002666000000000 ] - [ 0.0000386300000000, -0.0002639300000000, -0.0002242800000000 ] - [ 0.0000204100000000, -0.0000377700000000, 0.0002925800000000 ] - [ -0.0001907900000000, -0.0006685900000000, -0.0002907800000000 ] - [ 0.0000294900000000, 0.0004240600000000, -0.0005252800000000 ] - [ 0.0000807000000000, 0.0008615300000000, 0.0002002400000000 ] - [ 0.0003850100000000, 0.0001272500000000, -0.0004373400000000 ] - [ 0.0001545600000000, -0.0001016000000000, -0.0001323700000000 ] - [ 0.0000584800000000, 0.0004105700000000, -0.0003069600000000 ] - [ 0.0001374200000000, 0.0008062500000000, 0.0001449100000000 ] - [ -0.0002484000000000, -0.0004869400000000, 0.0002061800000000 ] - [ 0.0003568800000000, 0.0000176300000000, 0.0013718400000000 ] - [ 0.0001627700000000, 0.0004811000000000, 0.0000545400000000 ] - [ -0.0000195800000000, 0.0002097200000000, -0.0001157600000000 ] - [ -0.0065157800000000, -0.0196285800000000, 0.0229898700000000 ] - [ 0.0001755300000000, -0.0005144300000000, 0.0002931000000000 ] - [ -0.0000378200000000, 0.0003170100000000, -0.0000094900000000 ] - [ 0.0001343400000000, 0.0002100800000000, -0.0000299800000000 ] - [ -0.0000678900000000, -0.0003454300000000, 0.0001561500000000 ] - [ -0.0000636200000000, -0.0000424200000000, -0.0001793800000000 ] - [ -0.0001179300000000, 0.0003550600000000, 0.0000378900000000 ] - [ 0.0003182600000000, 0.0005429500000000, -0.0003678400000000 ] - [ -0.0000442300000000, -0.0020765400000000, -0.0003541200000000 ] - [ -0.0002035200000000, -0.0001932500000000, 0.0001851300000000 ] - [ -0.0000335700000000, 0.0002767300000000, -0.0000913600000000 ] - [ 0.0000894800000000, 0.0001867700000000, -0.0000666300000000 ] - [ -0.0000658100000000, 0.0002039700000000, 0.0002780800000000 ] - [ 0.0007081700000000, -0.0010823000000000, 0.0003385000000000 ] - [ 0.0000590200000000, 0.0000034600000000, -0.0001363300000000 ] - [ 0.0003264100000000, 0.0010733500000000, -0.0008725200000000 ] - [ 0.0002967500000000, 0.0005624800000000, 0.0006521700000000 ] - [ -0.0046259900000000, -0.0093413000000000, 0.0003093900000000 ] - [ -0.0002077100000000, -0.0001221900000000, 0.0001869400000000 ] - [ 0.0000573900000000, 0.0002030700000000, -0.0000900000000000 ] - [ -0.0000410200000000, -0.0002386400000000, -0.0000035800000000 ] - [ -0.0006870800000000, -0.0007852300000000, -0.0006838400000000 ] - [ -0.0000680500000000, 0.0001876800000000, 0.0001025200000000 ] - [ 0.0011562900000000, 0.0016057700000000, 0.0002660900000000 ] - [ 0.0021433400000000, -0.0030257000000000, 0.0004614800000000 ] - [ 0.0031852800000000, -0.0024312200000000, 0.0003347300000000 ] - [ 0.0003287200000000, 0.0003287500000000, 0.0001425300000000 ] - [ -0.0000196300000000, 0.0000199200000000, -0.0000170300000000 ] - [ -0.0000294200000000, 0.0004213500000000, 0.0001805300000000 ] - [ -0.0019412400000000, 0.0001940600000000, 0.0004931200000000 ] - [ 0.0000127000000000, -0.0001155200000000, -0.0000677500000000 ] - [ 0.0003827700000000, 0.0005185200000000, -0.0007928600000000 ] - [ 0.0000408100000000, 0.0011587700000000, 0.0007638100000000 ] - [ -0.0003161700000000, -0.0000721300000000, -0.0005182300000000 ] - [ 0.0001387300000000, -0.0001462300000000, -0.0000166200000000 ] - [ 0.0000496600000000, 0.0000530400000000, 0.0000021400000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0020097900000000, -0.0010087000000000, 0.0006173600000000 ] - [ -0.0012541900000000, 0.0001577700000000, 0.0004270000000000 ] - [ 0.0000837600000000, 0.0000985200000000, 0.0000387000000000 ] - [ 0.0001279400000000, 0.0000478200000000, 0.0001566300000000 ] - [ -0.0002258600000000, -0.0002678000000000, 0.0002696300000000 ] - [ -0.0000835400000000, -0.0000101800000000, 0.0002721300000000 ] - [ -0.0000969000000000, -0.0000974800000000, -0.0002360200000000 ] - [ 0.0001171600000000, 0.0000888600000000, -0.0001292100000000 ] - [ 0.0001713200000000, -0.0005479000000000, -0.0005939200000000 ] - [ -0.0000728000000000, -0.0001854400000000, 0.0001563700000000 ] - [ 0.0000778700000000, 0.0000862000000000, 0.0000705100000000 ] - [ -0.0000537700000000, 0.0000886400000000, 0.0001241800000000 ] - [ -0.0001274700000000, 0.0000295300000000, 0.0002392900000000 ] - [ -0.0001038500000000, -0.0003504200000000, 0.0002266200000000 ] - [ 0.0001120800000000, 0.0002278200000000, -0.0001766800000000 ] - [ 0.0001498400000000, -0.0003163100000000, -0.0003744600000000 ] - [ -0.0000119600000000, -0.0000241000000000, 0.0002499600000000 ] - [ 0.0001938800000000, 0.0000515400000000, 0.0000260700000000 ] - [ -0.0000259500000000, -0.0000448700000000, -0.0000006900000000 ] - [ 0.0000845300000000, 0.0000714100000000, -0.0001831800000000 ] - [ 0.0004803100000000, -0.0000810100000000, -0.0003735200000000 ] - [ 0.0009051400000000, 0.0005315600000000, 0.0009960300000000 ] - [ -0.0000700400000000, 0.0000980800000000, 0.0002153100000000 ] - [ -0.0001157500000000, -0.0000534600000000, 0.0000542200000000 ] - [ -0.0001285500000000, -0.0000030300000000, 0.0001739900000000 ] - [ 0.0000478100000000, -0.0000633300000000, 0.0002609800000000 ] - [ -0.0000807200000000, 0.0000573300000000, -0.0001925800000000 ] - [ 0.0000476400000000, -0.0004266600000000, 0.0003781300000000 ] - [ -0.0000664000000000, 0.0002260100000000, 0.0000033200000000 ] - [ -0.0000235600000000, -0.0001614900000000, 0.0002842600000000 ] - [ 0.0001240000000000, 0.0002876900000000, -0.0001002400000000 ] - [ 0.0000013100000000, -0.0002978900000000, 0.0001028000000000 ] - [ 0.0001687800000000, -0.0005612400000000, 0.0003621400000000 ] - [ -0.0001072800000000, -0.0000358900000000, 0.0000193400000000 ] - [ 0.0001051700000000, -0.0000630800000000, -0.0001821000000000 ] - [ 0.0004045700000000, -0.0007027000000000, 0.0001422600000000 ] - [ 0.0004333500000000, -0.0000086700000000, -0.0005221000000000 ] - [ 0.0000311800000000, 0.0009267200000000, 0.0009055900000000 ] - [ -0.0002059500000000, 0.0000863200000000, 0.0003356300000000 ] - [ -0.0000794600000000, -0.0000548500000000, 0.0000169700000000 ] - [ -0.0001049500000000, 0.0000845300000000, 0.0004019300000000 ] - [ -0.0001016200000000, 0.0000744000000000, -0.0000019000000000 ] - [ 0.0001153400000000, -0.0001144000000000, 0.0001165900000000 ] - [ 0.0001231200000000, 0.0000382100000000, -0.0001027900000000 ] - [ 0.0000447100000000, -0.0001253000000000, 0.0000418500000000 ] - [ -0.0000484100000000, -0.0000370500000000, 0.0005242800000000 ] - [ 0.0001002100000000, 0.0002086200000000, -0.0001310200000000 ] - [ 0.0000329700000000, -0.0000166400000000, -0.0003731400000000 ] - [ -0.0005218600000000, 0.0004110800000000, 0.0058346900000000 ] - [ -0.0002967400000000, -0.0000363900000000, 0.0000429200000000 ] - [ 0.0001075000000000, 0.0000084300000000, 0.0002408800000000 ] - [ 0.0000057700000000, 0.0001305700000000, 0.0001248400000000 ] - [ 0.0001415200000000, -0.0002159800000000, 0.0002336400000000 ] - [ 0.0000184800000000, 0.0000055400000000, 0.0001019700000000 ] - [ -0.0001274500000000, -0.0000362200000000, -0.0000524600000000 ] - [ -0.0005517800000000, 0.0007779000000000, -0.0004215700000000 ] - [ -0.0000697900000000, -0.0001562600000000, 0.0004987900000000 ] - [ -0.0000651700000000, 0.0001397600000000, 0.0000723100000000 ] - [ -0.0005442000000000, -0.0005174000000000, -0.0003259200000000 ] - [ 0.0000909500000000, 0.0002531800000000, -0.0000011700000000 ] - [ 0.0001131300000000, 0.0000932600000000, 0.0002127500000000 ] - [ 0.0000040800000000, 0.0001188800000000, 0.0008391100000000 ] - [ 0.0006841200000000, -0.0020621600000000, 0.0018753600000000 ] - [ -0.0004217800000000, 0.0001388500000000, -0.0002779500000000 ] - [ -0.0000900600000000, 0.0003217600000000, -0.0006616400000000 ] - [ 0.0000178200000000, 0.0000702100000000, 0.0002014700000000 ] - [ -0.0001988600000000, -0.0001060300000000, 0.0002023200000000 ] - [ -0.0003493900000000, 0.0006937000000000, 0.0004429700000000 ] - [ -0.0020156900000000, 0.0055411000000000, 0.0017878300000000 ] - [ -0.0000974100000000, 0.0001676400000000, 0.0001416300000000 ] - [ 0.0000453500000000, 0.0000043100000000, 0.0001565300000000 ] - [ -0.0000108300000000, 0.0001381300000000, -0.0003199700000000 ] - [ 0.0143255800000000, 0.0271743300000000, -0.0646555600000000 ] - [ 0.0000916300000000, 0.0002173900000000, 0.0001156000000000 ] - [ -0.0001515400000000, 0.0001058200000000, 0.0000818500000000 ] - [ -0.0000570900000000, -0.0000997300000000, 0.0002250900000000 ] - [ -0.0005176700000000, 0.0003677600000000, 0.0028578100000000 ] - [ -0.0001567800000000, 0.0001060800000000, 0.0006386400000000 ] - [ 0.0000824300000000, 0.0001027600000000, 0.0001728200000000 ] - [ -0.0000293900000000, -0.0000676200000000, -0.0000350800000000 ] - [ 0.0001073700000000, 0.0001156500000000, -0.0005673000000000 ] - [ -0.0000026200000000, -0.0000785100000000, -0.0003827100000000 ] - [ 0.0000529200000000, 0.0003604200000000, -0.0002479000000000 ] - [ -0.0000956000000000, -0.0002680200000000, 0.0006273400000000 ] - [ 0.0003574800000000, 0.0006033100000000, -0.0009117900000000 ] - [ 0.0001860200000000, 0.0001972100000000, -0.0005791200000000 ] - [ -0.0000924600000000, 0.0001750000000000, 0.0002683400000000 ] - [ -0.0003289800000000, -0.0001293700000000, 0.0004520700000000 ] - [ 0.0004074900000000, 0.0000744200000000, -0.0000734300000000 ] - [ -0.0002865600000000, -0.0007662500000000, -0.0018570900000000 ] - [ -0.0000503300000000, -0.0002051200000000, -0.0000755000000000 ] - [ -0.0000576700000000, 0.0001811800000000, -0.0003159600000000 ] - [ -0.0109134800000000, -0.0303170900000000, 0.0488558400000000 ] - [ 0.0008503900000000, -0.0003345400000000, 0.0000617900000000 ] - [ 0.0000190900000000, -0.0001599200000000, 0.0000460400000000 ] - [ 0.0000080200000000, -0.0001819800000000, -0.0001911400000000 ] - [ 0.0000959900000000, 0.0000510700000000, -0.0002694400000000 ] - [ -0.0000171700000000, 0.0000874900000000, -0.0003231300000000 ] - [ 0.0001058800000000, -0.0000506800000000, 0.0000787400000000 ] - [ -0.0002996500000000, 0.0001529100000000, 0.0005247400000000 ] - [ 0.0002367800000000, 0.0000852600000000, 0.0001977600000000 ] - [ 0.0000695100000000, -0.0000897800000000, -0.0005143900000000 ] - [ 0.0001380100000000, -0.0000607800000000, 0.0000382900000000 ] - [ 0.0000363600000000, 0.0001151800000000, -0.0001352400000000 ] - [ -0.0002177300000000, -0.0001684000000000, -0.0001592500000000 ] - [ -0.0007606900000000, -0.0002011900000000, 0.0002293300000000 ] - [ 0.0001289900000000, 0.0001535000000000, -0.0002759800000000 ] - [ 0.0000107500000000, 0.0000538200000000, -0.0000135900000000 ] - [ 0.0000322100000000, -0.0001776900000000, 0.0006595600000000 ] - [ 0.0002514200000000, 0.0003722900000000, -0.0001850000000000 ] - [ 0.0001754100000000, -0.0000886900000000, -0.0002503900000000 ] - [ 0.0000125000000000, -0.0000017700000000, -0.0002246800000000 ] - [ 0.0000000800000000, 0.0002175800000000, -0.0004663500000000 ] - [ -0.0004969000000000, 0.0000857900000000, 0.0002669100000000 ] - [ 0.0000598000000000, -0.0000349700000000, 0.0000221300000000 ] - [ -0.0006707000000000, -0.0006250000000000, -0.0001549400000000 ] - [ 0.0015426900000000, -0.0007285900000000, 0.0009798100000000 ] - [ -0.0001368800000000, -0.0000368300000000, 0.0007990000000000 ] - [ -0.0000532500000000, 0.0000039800000000, -0.0002745900000000 ] - [ 0.0000363400000000, -0.0001567700000000, -0.0001513500000000 ] - [ -0.0000417400000000, -0.0001625800000000, -0.0002506900000000 ] - [ 0.0007657800000000, -0.0002051900000000, -0.0000889800000000 ] - [ -0.0000624400000000, 0.0002327200000000, -0.0003536100000000 ] - [ 0.0002617600000000, 0.0001608800000000, -0.0001688000000000 ] - [ -0.0000491500000000, -0.0001431800000000, 0.0005572500000000 ] - [ 0.0002812000000000, 0.0001595300000000, 0.0004372300000000 ] - [ -0.0001636000000000, 0.0000024900000000, -0.0003725400000000 ] - [ 0.0000272300000000, 0.0000328500000000, -0.0001542700000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0018140800000000, 0.0010305800000000, -0.0005740400000000 ] - [ 0.0010029600000000, -0.0001627000000000, -0.0004836400000000 ] - [ 0.0001597100000000, -0.0000922100000000, -0.0000909600000000 ] - [ 0.0001161500000000, -0.0000528900000000, -0.0001033800000000 ] - [ 0.0001749100000000, 0.0002028700000000, -0.0002992400000000 ] - [ 0.0000291400000000, 0.0000758100000000, -0.0002436800000000 ] - [ 0.0001518000000000, 0.0000322200000000, 0.0002651300000000 ] - [ -0.0000624700000000, -0.0000212800000000, 0.0001007500000000 ] - [ -0.0000681800000000, 0.0005445500000000, 0.0005554700000000 ] - [ 0.0001824400000000, 0.0002102000000000, -0.0001255000000000 ] - [ -0.0001924400000000, -0.0001100500000000, -0.0000342100000000 ] - [ -0.0000611600000000, -0.0000629400000000, -0.0001598100000000 ] - [ -0.0001658700000000, 0.0001177200000000, -0.0001739300000000 ] - [ -0.0001905500000000, 0.0002057600000000, -0.0002939900000000 ] - [ 0.0001814000000000, -0.0000788600000000, 0.0001111600000000 ] - [ 0.0001469300000000, 0.0001694300000000, 0.0004380400000000 ] - [ 0.0000174000000000, 0.0000113800000000, -0.0002942900000000 ] - [ -0.0001906500000000, -0.0000412200000000, 0.0000204800000000 ] - [ 0.0000204100000000, 0.0000334100000000, 0.0000436900000000 ] - [ -0.0000898300000000, -0.0000576200000000, 0.0001392400000000 ] - [ -0.0003112700000000, 0.0001716300000000, 0.0002043700000000 ] - [ -0.0007225600000000, -0.0006152000000000, -0.0008249800000000 ] - [ -0.0000985400000000, -0.0000091400000000, -0.0000507800000000 ] - [ -0.0000526600000000, -0.0000343600000000, -0.0002189300000000 ] - [ 0.0001855700000000, 0.0001161700000000, -0.0001183400000000 ] - [ 0.0000094400000000, -0.0000507300000000, -0.0003152900000000 ] - [ 0.0000239700000000, 0.0000578100000000, 0.0001391900000000 ] - [ -0.0001038600000000, 0.0003174200000000, -0.0003286500000000 ] - [ 0.0000233600000000, 0.0001824800000000, 0.0000085300000000 ] - [ -0.0000225600000000, -0.0002509500000000, -0.0002937600000000 ] - [ -0.0000770300000000, 0.0001254700000000, 0.0000926800000000 ] - [ 0.0000455300000000, -0.0001119800000000, -0.0000951800000000 ] - [ -0.0003285600000000, 0.0005484200000000, -0.0001877900000000 ] - [ -0.0000499900000000, 0.0000560100000000, -0.0001936900000000 ] - [ 0.0000528500000000, 0.0000424400000000, 0.0000070000000000 ] - [ -0.0002457600000000, 0.0007172400000000, 0.0000319800000000 ] - [ -0.0001531300000000, 0.0001221700000000, 0.0001930900000000 ] - [ 0.0002480900000000, -0.0010290000000000, -0.0005678300000000 ] - [ -0.0000778700000000, 0.0000300900000000, -0.0000042300000000 ] - [ -0.0002044500000000, -0.0000606800000000, -0.0003493800000000 ] - [ -0.0001690200000000, -0.0001719200000000, -0.0004042400000000 ] - [ -0.0001722000000000, 0.0000141500000000, 0.0000102200000000 ] - [ 0.0001600600000000, 0.0000258600000000, -0.0001131800000000 ] - [ 0.0001519700000000, 0.0000515500000000, 0.0000985900000000 ] - [ -0.0000591300000000, 0.0000467600000000, -0.0004457200000000 ] - [ 0.0000353300000000, 0.0001157800000000, -0.0001235600000000 ] - [ -0.0000859900000000, -0.0002846100000000, 0.0005330700000000 ] - [ -0.0000188700000000, 0.0000966600000000, -0.0000304700000000 ] - [ 0.0004799900000000, -0.0004711400000000, -0.0063067700000000 ] - [ 0.0001749200000000, -0.0000127500000000, 0.0002689800000000 ] - [ 0.0000169000000000, 0.0000405600000000, 0.0000730800000000 ] - [ 0.0001197800000000, -0.0001813300000000, -0.0004385700000000 ] - [ 0.0000145000000000, 0.0000980000000000, -0.0002631900000000 ] - [ 0.0001379900000000, 0.0001130200000000, -0.0000726100000000 ] - [ -0.0000307700000000, -0.0000825600000000, 0.0000819900000000 ] - [ 0.0004010200000000, -0.0006728700000000, 0.0003834800000000 ] - [ -0.0000415300000000, -0.0000573500000000, -0.0001562600000000 ] - [ -0.0000473400000000, 0.0000735400000000, -0.0004162600000000 ] - [ 0.0006568100000000, 0.0003040200000000, -0.0000174800000000 ] - [ 0.0000215900000000, -0.0000371900000000, 0.0003444900000000 ] - [ 0.0000890700000000, 0.0000246200000000, 0.0000132900000000 ] - [ 0.0001996100000000, -0.0002386500000000, -0.0010568500000000 ] - [ -0.0008802400000000, 0.0021629100000000, -0.0020693400000000 ] - [ 0.0002194300000000, -0.0002549800000000, 0.0005042200000000 ] - [ 0.0001509300000000, -0.0004743200000000, 0.0002509400000000 ] - [ 0.0000438500000000, 0.0000834700000000, 0.0002071500000000 ] - [ 0.0001369200000000, -0.0000489800000000, 0.0002061000000000 ] - [ 0.0002908600000000, -0.0005481000000000, -0.0008498200000000 ] - [ 0.0019488400000000, -0.0056097200000000, -0.0019713200000000 ] - [ 0.0000299700000000, -0.0001306900000000, 0.0000811800000000 ] - [ 0.0000220500000000, -0.0000405900000000, 0.0000670400000000 ] - [ 0.0000769800000000, -0.0000989200000000, 0.0000919600000000 ] - [ -0.0146136300000000, -0.0282481200000000, 0.0662520200000000 ] - [ 0.0002298300000000, -0.0003065200000000, -0.0000641400000000 ] - [ -0.0001709900000000, -0.0000179900000000, -0.0000287700000000 ] - [ -0.0002653700000000, 0.0000133300000000, -0.0002775000000000 ] - [ 0.0004677300000000, -0.0002254300000000, -0.0034912600000000 ] - [ 0.0000999100000000, -0.0002412200000000, -0.0000984600000000 ] - [ -0.0000273800000000, 0.0000338500000000, 0.0003670200000000 ] - [ 0.0000847800000000, -0.0000657200000000, -0.0005066600000000 ] - [ 0.0000327900000000, 0.0000638600000000, 0.0009891400000000 ] - [ 0.0001452600000000, -0.0000988000000000, -0.0000406600000000 ] - [ -0.0001948200000000, -0.0001819200000000, -0.0001705600000000 ] - [ -0.0000442500000000, 0.0000862700000000, -0.0002085300000000 ] - [ -0.0000321000000000, -0.0007725700000000, 0.0012362200000000 ] - [ 0.0001439200000000, -0.0000391800000000, 0.0002675200000000 ] - [ -0.0002398100000000, -0.0003338500000000, -0.0005795100000000 ] - [ -0.0000006400000000, 0.0002849200000000, -0.0001395500000000 ] - [ -0.0003591700000000, -0.0003402700000000, -0.0000882500000000 ] - [ 0.0003351000000000, 0.0010173600000000, 0.0019994500000000 ] - [ -0.0000069300000000, -0.0000592300000000, 0.0002348200000000 ] - [ 0.0000012600000000, 0.0000816600000000, 0.0001573700000000 ] - [ 0.0113553200000000, 0.0316221600000000, -0.0503466200000000 ] - [ -0.0008593000000000, 0.0003037500000000, -0.0000393600000000 ] - [ -0.0000057200000000, 0.0001889100000000, -0.0000287300000000 ] - [ 0.0000057900000000, 0.0001509700000000, 0.0001752000000000 ] - [ -0.0000772600000000, -0.0001378100000000, 0.0004093800000000 ] - [ 0.0000382100000000, 0.0000009100000000, 0.0001842000000000 ] - [ -0.0001258800000000, -0.0000383400000000, -0.0002180700000000 ] - [ 0.0002790700000000, -0.0000677100000000, -0.0003850400000000 ] - [ -0.0003600000000000, -0.0001825900000000, -0.0001644700000000 ] - [ -0.0001891500000000, 0.0001943400000000, 0.0004733100000000 ] - [ -0.0000168500000000, -0.0000450900000000, -0.0000783900000000 ] - [ 0.0000852300000000, -0.0000113200000000, 0.0001767500000000 ] - [ -0.0000000800000000, 0.0002894400000000, 0.0003029000000000 ] - [ 0.0005433600000000, 0.0000835100000000, -0.0003833800000000 ] - [ 0.0000885300000000, -0.0000316300000000, 0.0001338900000000 ] - [ 0.0002068200000000, -0.0001768000000000, 0.0001559400000000 ] - [ -0.0001218700000000, 0.0001294300000000, -0.0006568000000000 ] - [ -0.0003404200000000, -0.0003213800000000, 0.0002061000000000 ] - [ -0.0000863700000000, 0.0000425200000000, 0.0002443400000000 ] - [ 0.0000770400000000, 0.0000471300000000, 0.0002305500000000 ] - [ -0.0000346500000000, -0.0001949200000000, 0.0003407800000000 ] - [ 0.0004659500000000, -0.0001049000000000, -0.0001411200000000 ] - [ -0.0000229600000000, 0.0000534800000000, 0.0001073900000000 ] - [ 0.0007066400000000, 0.0006021900000000, 0.0000240400000000 ] - [ -0.0016193500000000, 0.0009673600000000, -0.0009301200000000 ] - [ 0.0000130000000000, -0.0001956300000000, -0.0008324400000000 ] - [ 0.0001618600000000, 0.0002413800000000, 0.0002364300000000 ] - [ 0.0000717800000000, -0.0000892200000000, 0.0001891700000000 ] - [ -0.0000489100000000, 0.0003321700000000, 0.0001911300000000 ] - [ -0.0008524900000000, 0.0000318100000000, 0.0001453400000000 ] - [ 0.0001513400000000, -0.0000606300000000, 0.0004157800000000 ] - [ -0.0001715500000000, -0.0003338500000000, 0.0001120400000000 ] - [ 0.0000904600000000, 0.0001592700000000, -0.0003740500000000 ] - [ -0.0002382200000000, -0.0001781000000000, -0.0006187900000000 ] - [ 0.0001231900000000, 0.0000161400000000, 0.0001909700000000 ] - [ -0.0000690900000000, -0.0000511300000000, 0.0003365600000000 ]- atom: 77 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0019821900000000, 0.0018947800000000, 0.0033732400000000 ] - [ -0.0000574400000000, 0.0000059900000000, -0.0001029600000000 ] - [ 0.0001797900000000, -0.0000121500000000, -0.0000291000000000 ] - [ 0.0000816000000000, 0.0000250200000000, 0.0000494000000000 ] - [ 0.0024858200000000, 0.0012239600000000, -0.0026525600000000 ] - [ 0.0000223800000000, 0.0000164700000000, -0.0000082200000000 ] - [ 0.0000788100000000, -0.0000618200000000, 0.0000072400000000 ] - [ -0.0000615900000000, 0.0000496700000000, -0.0000033000000000 ] - [ -0.0004557500000000, -0.0017940500000000, -0.0013775300000000 ] - [ 0.0001149000000000, 0.0000117400000000, 0.0000733300000000 ] - [ 0.0000017800000000, 0.0002620100000000, 0.0002697600000000 ] - [ -0.0000945200000000, 0.0000959000000000, 0.0000058900000000 ] - [ -0.0001332700000000, 0.0000509400000000, 0.0000076800000000 ] - [ -0.0003664500000000, -0.0011726500000000, 0.0007314100000000 ] - [ 0.0001056100000000, 0.0001908600000000, 0.0000510000000000 ] - [ 0.0001501200000000, 0.0001893600000000, -0.0002871500000000 ] - [ -0.0000247200000000, -0.0000164400000000, -0.0001197300000000 ] - [ 0.0005826400000000, 0.0002521200000000, 0.0008380400000000 ] - [ 0.0000368600000000, 0.0000026100000000, 0.0000120200000000 ] - [ -0.0001280600000000, -0.0000009000000000, -0.0000031900000000 ] - [ 0.0014859000000000, 0.0007113300000000, -0.0004702800000000 ] - [ 0.0000005100000000, -0.0000186200000000, 0.0002384600000000 ] - [ -0.0001515500000000, 0.0000785000000000, 0.0000418000000000 ] - [ -0.0000652000000000, -0.0000501300000000, -0.0000669600000000 ] - [ 0.0004545100000000, -0.0003123300000000, -0.0006116400000000 ] - [ 0.0000015100000000, -0.0000567300000000, 0.0000158200000000 ] - [ 0.0000608000000000, 0.0002058900000000, -0.0000376900000000 ] - [ -0.0000479500000000, -0.0000691200000000, 0.0000113600000000 ] - [ 0.0011567100000000, 0.0007463700000000, 0.0001360200000000 ] - [ -0.0000791100000000, -0.0002000500000000, 0.0000078200000000 ] - [ 0.0000111600000000, 0.0003048300000000, -0.0000686500000000 ] - [ 0.0000435400000000, -0.0002202500000000, 0.0000238800000000 ] - [ 0.0012412600000000, -0.0013414300000000, 0.0001293200000000 ] - [ -0.0000029800000000, 0.0000152300000000, -0.0000809000000000 ] - [ 0.0001677500000000, -0.0000116900000000, -0.0001215500000000 ] - [ 0.0001016800000000, -0.0000597400000000, 0.0001947800000000 ] - [ 0.0009924400000000, -0.0003076400000000, 0.0004440300000000 ] - [ 0.0000678300000000, -0.0000345800000000, 0.0000535000000000 ] - [ -0.0001220400000000, 0.0001875100000000, 0.0001466500000000 ] - [ -0.0001189200000000, -0.0000712900000000, -0.0001030700000000 ] - [ -0.0001854800000000, -0.0000291900000000, -0.0000116600000000 ] - [ 0.0002756200000000, -0.0000240300000000, 0.0001892600000000 ] - [ 0.0001395900000000, -0.0000536700000000, 0.0000100400000000 ] - [ 0.0001809700000000, 0.0001579200000000, -0.0000044700000000 ] - [ 0.0000517800000000, -0.0002097300000000, -0.0001995100000000 ] - [ -0.0002960100000000, 0.0000500000000000, 0.0002144700000000 ] - [ -0.0000126300000000, -0.0000463600000000, 0.0002124300000000 ] - [ 0.0000455800000000, 0.0000464500000000, -0.0002532400000000 ] - [ -0.0003189400000000, -0.0012973400000000, 0.0012299700000000 ] - [ 0.0000323700000000, -0.0001330800000000, 0.0001030600000000 ] - [ 0.0002840200000000, 0.0000639900000000, 0.0001249200000000 ] - [ 0.0000447500000000, -0.0000456100000000, -0.0000227200000000 ] - [ 0.0000833700000000, -0.0001813100000000, -0.0000242400000000 ] - [ 0.0005195900000000, -0.0001983100000000, 0.0004535800000000 ] - [ -0.0000566500000000, -0.0000705900000000, -0.0000338900000000 ] - [ -0.0002076600000000, -0.0001425700000000, 0.0000131000000000 ] - [ -0.0001733600000000, 0.0000410600000000, -0.0000010000000000 ] - [ 0.0000301800000000, 0.0001647700000000, -0.0000718100000000 ] - [ 0.0000541300000000, -0.0001007700000000, -0.0002239000000000 ] - [ 0.0000522700000000, 0.0001619800000000, 0.0001841700000000 ] - [ 0.0001480400000000, 0.0000648000000000, 0.0001555300000000 ] - [ -0.0000625400000000, 0.0002262600000000, -0.0001224200000000 ] - [ -0.0001751000000000, 0.0000921000000000, -0.0000072900000000 ] - [ 0.0003511400000000, -0.0004092900000000, -0.0004450000000000 ] - [ -0.0003494400000000, -0.0004105100000000, -0.0007303800000000 ] - [ 0.0000271400000000, 0.0000711100000000, 0.0001335900000000 ] - [ 0.0002987400000000, -0.0000817200000000, 0.0001909000000000 ] - [ -0.0001497400000000, 0.0001850200000000, -0.0005356200000000 ] - [ -0.0001368100000000, 0.0000919500000000, 0.0000077500000000 ] - [ -0.0000120100000000, 0.0000504800000000, 0.0001532000000000 ] - [ 0.0001142300000000, -0.0001321300000000, 0.0003104300000000 ] - [ -0.0000320800000000, 0.0000967800000000, -0.0001321900000000 ] - [ -0.0005333800000000, -0.0001492800000000, -0.0005182200000000 ] - [ 0.0002922000000000, -0.0001045800000000, 0.0001554800000000 ] - [ -0.0002183200000000, 0.0000122100000000, 0.0000808900000000 ] - [ -0.0001191900000000, -0.0000535100000000, 0.0000305900000000 ] - [ -0.0381000800000000, 0.0011918000000000, -0.0115379900000000 ] - [ -0.0000042900000000, -0.0000613900000000, 0.0002762700000000 ] - [ 0.0000741800000000, 0.0000777800000000, 0.0002326200000000 ] - [ -0.0000344000000000, -0.0000440200000000, -0.0001711900000000 ] - [ 0.0002036300000000, 0.0001530400000000, 0.0002298300000000 ] - [ 0.0000791400000000, 0.0001161000000000, -0.0003627300000000 ] - [ -0.0000620900000000, 0.0001015900000000, -0.0001558000000000 ] - [ -0.0000155000000000, -0.0002371400000000, 0.0001857400000000 ] - [ 0.0016159400000000, -0.0003637800000000, 0.0012848100000000 ] - [ 0.0001624900000000, 0.0001610800000000, -0.0001013600000000 ] - [ -0.0003406600000000, -0.0001287900000000, -0.0001215800000000 ] - [ -0.0001230700000000, 0.0000257900000000, 0.0000980800000000 ] - [ -0.0013423700000000, -0.0003492400000000, -0.0007059700000000 ] - [ 0.0002426500000000, 0.0000743500000000, 0.0000911900000000 ] - [ -0.0000126300000000, -0.0002608800000000, 0.0002078900000000 ] - [ -0.0000622900000000, 0.0001347800000000, -0.0001139700000000 ] - [ 0.0079900300000000, 0.0053199500000000, 0.0098722900000000 ] - [ -0.0000467100000000, 0.0000135100000000, -0.0000438500000000 ] - [ -0.0001528300000000, -0.0000899000000000, 0.0000921200000000 ] - [ 0.0000425100000000, -0.0000748900000000, -0.0000770500000000 ] - [ 0.0002853700000000, 0.0002626500000000, 0.0003786100000000 ] - [ 0.0000039100000000, -0.0000330300000000, -0.0002293700000000 ] - [ -0.0000975100000000, -0.0000237100000000, -0.0000538000000000 ] - [ 0.0000904200000000, 0.0000577400000000, 0.0001086400000000 ] - [ 0.0096551000000000, -0.0030110900000000, 0.0018257600000000 ] - [ -0.0000682900000000, 0.0000311900000000, -0.0000059500000000 ] - [ -0.0000534500000000, -0.0000366100000000, 0.0000375800000000 ] - [ 0.0000839700000000, 0.0000501400000000, -0.0000227800000000 ] - [ -0.0001633000000000, 0.0000373600000000, 0.0000488800000000 ] - [ 0.0019440500000000, 0.0026509500000000, -0.0010041500000000 ] - [ 0.0001113000000000, 0.0001014000000000, -0.0001131900000000 ] - [ 0.0002285600000000, 0.0001895300000000, -0.0000337400000000 ] - [ -0.0004572900000000, -0.0005806200000000, -0.0005794900000000 ] - [ 0.0003042500000000, -0.0001009000000000, 0.0002375500000000 ] - [ 0.0001467300000000, 0.0001169100000000, 0.0000114600000000 ] - [ 0.0001046900000000, 0.0000026800000000, -0.0001091800000000 ] - [ -0.0000054300000000, 0.0000544800000000, -0.0000921600000000 ] - [ 0.0091059700000000, -0.0040904200000000, -0.0013873600000000 ] - [ -0.0000192100000000, -0.0000054800000000, 0.0000509300000000 ] - [ 0.0001004400000000, -0.0000609900000000, 0.0000348900000000 ] - [ -0.0001727400000000, 0.0002179500000000, 0.0004773000000000 ] - [ 0.0000464700000000, 0.0002918100000000, -0.0005819800000000 ] - [ 0.0000733600000000, 0.0000822900000000, -0.0000953800000000 ] - [ -0.0000255500000000, -0.0001423900000000, -0.0000172800000000 ] - [ -0.0000273000000000, 0.0000841100000000, -0.0000292200000000 ] - [ -0.0001146100000000, 0.0001018800000000, 0.0000976300000000 ] - [ 0.0000663600000000, 0.0001134100000000, 0.0000095700000000 ] - [ -0.0006677300000000, -0.0006651400000000, 0.0002154100000000 ] - [ 0.0000945500000000, 0.0002445400000000, 0.0003464100000000 ] - [ -0.0000215700000000, 0.0000784900000000, -0.0001380500000000 ] - [ -0.0000926600000000, 0.0000706200000000, -0.0002470700000000 ] - [ -0.0002574000000000, -0.0002623500000000, 0.0003463900000000 ]- atom: 77 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0021915700000000, -0.0018754300000000, -0.0032953600000000 ] - [ -0.0001857700000000, -0.0000126300000000, 0.0000509300000000 ] - [ 0.0000640500000000, 0.0000180300000000, -0.0000244400000000 ] - [ 0.0001623100000000, -0.0000309400000000, 0.0000045900000000 ] - [ -0.0025135400000000, -0.0012865600000000, 0.0026016500000000 ] - [ -0.0000766400000000, 0.0000492700000000, 0.0000387400000000 ] - [ -0.0000239600000000, -0.0000047500000000, 0.0000214100000000 ] - [ 0.0001167400000000, 0.0000169000000000, -0.0000250000000000 ] - [ 0.0005693800000000, 0.0017763100000000, 0.0013391800000000 ] - [ 0.0000001900000000, 0.0000125700000000, -0.0000370900000000 ] - [ -0.0001166000000000, -0.0002863600000000, -0.0002364700000000 ] - [ -0.0000210500000000, -0.0000706100000000, -0.0000413000000000 ] - [ -0.0001592200000000, 0.0000967500000000, 0.0000584300000000 ] - [ 0.0000798000000000, 0.0010226900000000, -0.0007907400000000 ] - [ 0.0001876300000000, -0.0000419500000000, -0.0001162200000000 ] - [ 0.0001436300000000, -0.0003394500000000, 0.0003548700000000 ] - [ 0.0000307000000000, 0.0000040300000000, 0.0000757900000000 ] - [ -0.0005521900000000, -0.0002341900000000, -0.0008062200000000 ] - [ -0.0000417800000000, -0.0000148700000000, 0.0000324500000000 ] - [ 0.0001238500000000, 0.0000134900000000, -0.0000408200000000 ] - [ -0.0013272700000000, -0.0006296500000000, 0.0003088600000000 ] - [ 0.0001679300000000, -0.0000696000000000, -0.0000733200000000 ] - [ -0.0000166100000000, 0.0000100500000000, 0.0001223700000000 ] - [ -0.0001028700000000, -0.0000368900000000, -0.0000970100000000 ] - [ -0.0003963900000000, 0.0004222400000000, 0.0006551400000000 ] - [ 0.0000561200000000, -0.0000572300000000, -0.0000694200000000 ] - [ -0.0001184300000000, -0.0000910700000000, -0.0000165400000000 ] - [ -0.0000087700000000, -0.0000447600000000, 0.0000435400000000 ] - [ -0.0012025700000000, -0.0003383000000000, -0.0001312700000000 ] - [ 0.0000324000000000, -0.0002115700000000, -0.0000166700000000 ] - [ 0.0000357000000000, 0.0001070400000000, 0.0000589600000000 ] - [ 0.0000032400000000, -0.0001907100000000, -0.0000144100000000 ] - [ -0.0014439400000000, 0.0013090600000000, 0.0000205000000000 ] - [ -0.0001538600000000, 0.0000038600000000, -0.0000934600000000 ] - [ -0.0000103300000000, -0.0000084700000000, -0.0000529300000000 ] - [ 0.0000552800000000, 0.0000801200000000, -0.0000192700000000 ] - [ -0.0007057600000000, 0.0004168000000000, -0.0007675300000000 ] - [ 0.0002166100000000, -0.0000810300000000, 0.0002786200000000 ] - [ -0.0001619500000000, -0.0000724000000000, 0.0001845700000000 ] - [ -0.0001638700000000, -0.0000434800000000, -0.0002277200000000 ] - [ -0.0000892100000000, -0.0000596800000000, 0.0000080300000000 ] - [ -0.0005480300000000, 0.0001118400000000, -0.0001897300000000 ] - [ 0.0001355100000000, -0.0000346500000000, -0.0000048400000000 ] - [ 0.0000938100000000, -0.0000700500000000, -0.0000006800000000 ] - [ -0.0000597600000000, 0.0001291300000000, -0.0002017900000000 ] - [ 0.0002833100000000, 0.0000280100000000, 0.0001852900000000 ] - [ 0.0000266900000000, -0.0000312000000000, 0.0001906700000000 ] - [ -0.0000316900000000, 0.0000318200000000, -0.0001494900000000 ] - [ 0.0001882200000000, 0.0013560900000000, -0.0015596000000000 ] - [ -0.0001571400000000, 0.0000826100000000, 0.0002105800000000 ] - [ -0.0001618600000000, -0.0000167400000000, 0.0001898400000000 ] - [ 0.0000788900000000, -0.0000030300000000, -0.0002857700000000 ] - [ 0.0000725400000000, 0.0000630700000000, -0.0000054500000000 ] - [ -0.0003651100000000, 0.0003197800000000, -0.0004290400000000 ] - [ -0.0001001400000000, -0.0000476300000000, 0.0000635900000000 ] - [ 0.0000483600000000, 0.0002636200000000, -0.0000429200000000 ] - [ 0.0000609200000000, -0.0002585800000000, 0.0003480800000000 ] - [ -0.0001349300000000, 0.0000548300000000, -0.0002673000000000 ] - [ 0.0000588100000000, -0.0001146200000000, -0.0001183700000000 ] - [ 0.0000597300000000, 0.0000531900000000, 0.0001593000000000 ] - [ 0.0000548300000000, 0.0000532400000000, 0.0000702000000000 ] - [ 0.0002658500000000, -0.0003466200000000, -0.0001064800000000 ] - [ -0.0000275400000000, 0.0000265500000000, -0.0002198100000000 ] - [ -0.0005532100000000, 0.0002955000000000, 0.0006766500000000 ] - [ 0.0004322300000000, 0.0002667600000000, 0.0003375400000000 ] - [ 0.0000347900000000, 0.0000825000000000, 0.0002766600000000 ] - [ -0.0003634600000000, -0.0000727200000000, 0.0002175000000000 ] - [ 0.0000882500000000, -0.0000332400000000, 0.0001289100000000 ] - [ 0.0000694100000000, -0.0001313600000000, -0.0002303000000000 ] - [ -0.0000549600000000, -0.0000134400000000, 0.0000711700000000 ] - [ -0.0000452900000000, 0.0000959600000000, -0.0000896600000000 ] - [ 0.0000996400000000, -0.0000594400000000, -0.0000930100000000 ] - [ 0.0008547500000000, 0.0002331500000000, 0.0004672700000000 ] - [ 0.0000307300000000, 0.0000178000000000, -0.0001011200000000 ] - [ -0.0001028300000000, 0.0000763100000000, -0.0000288800000000 ] - [ -0.0002038800000000, -0.0000318200000000, -0.0000835400000000 ] - [ 0.0381119500000000, -0.0010263300000000, 0.0109797000000000 ] - [ -0.0000505700000000, -0.0000748300000000, 0.0002638200000000 ] - [ -0.0000187400000000, 0.0000582800000000, 0.0003055200000000 ] - [ 0.0000897100000000, -0.0000905700000000, -0.0003677300000000 ] - [ -0.0000652200000000, 0.0000247300000000, 0.0001908300000000 ] - [ 0.0000287400000000, -0.0003023500000000, -0.0000411200000000 ] - [ -0.0000775100000000, 0.0000784700000000, -0.0002664600000000 ] - [ -0.0001239700000000, 0.0000575400000000, 0.0002348700000000 ] - [ -0.0012919300000000, 0.0002216900000000, -0.0010014900000000 ] - [ 0.0001626100000000, 0.0000016300000000, -0.0002181300000000 ] - [ 0.0000110000000000, -0.0000279700000000, -0.0001898400000000 ] - [ -0.0002051000000000, 0.0001324700000000, 0.0002143900000000 ] - [ 0.0013949700000000, 0.0000891000000000, 0.0005541200000000 ] - [ -0.0001860200000000, 0.0001883000000000, 0.0000676900000000 ] - [ -0.0000439500000000, -0.0000020400000000, -0.0000488100000000 ] - [ 0.0000058700000000, 0.0001272900000000, -0.0000470400000000 ] - [ -0.0081286200000000, -0.0053204300000000, -0.0099467600000000 ] - [ 0.0000327200000000, -0.0000426400000000, 0.0000607400000000 ] - [ 0.0001665700000000, 0.0001183600000000, -0.0000736400000000 ] - [ -0.0000278900000000, 0.0000442100000000, 0.0000581200000000 ] - [ -0.0002627600000000, -0.0003518300000000, -0.0002404600000000 ] - [ 0.0000153200000000, 0.0001255700000000, 0.0000865700000000 ] - [ 0.0000784700000000, -0.0000649600000000, -0.0000862600000000 ] - [ -0.0001110100000000, 0.0000300100000000, 0.0000309500000000 ] - [ -0.0093306500000000, 0.0027139600000000, -0.0017136200000000 ] - [ -0.0000530600000000, 0.0000740800000000, -0.0000347800000000 ] - [ 0.0001757300000000, -0.0000690000000000, -0.0000770300000000 ] - [ 0.0000363600000000, 0.0000544500000000, 0.0000619200000000 ] - [ -0.0000532700000000, 0.0000842200000000, 0.0000943400000000 ] - [ -0.0021678500000000, -0.0028308300000000, 0.0008641600000000 ] - [ 0.0001072000000000, 0.0000203400000000, -0.0000314600000000 ] - [ -0.0000121800000000, -0.0003114900000000, 0.0001782500000000 ] - [ 0.0003691800000000, 0.0005329900000000, 0.0005829100000000 ] - [ -0.0003971600000000, 0.0001470400000000, -0.0002435500000000 ] - [ -0.0000582600000000, -0.0001628700000000, -0.0000152900000000 ] - [ -0.0000147100000000, 0.0000445600000000, 0.0001137300000000 ] - [ -0.0000306800000000, -0.0000343000000000, -0.0000374200000000 ] - [ -0.0095711700000000, 0.0042852700000000, 0.0015636200000000 ] - [ 0.0000568800000000, 0.0000245900000000, 0.0000778300000000 ] - [ -0.0000642500000000, 0.0000417600000000, -0.0001639100000000 ] - [ 0.0000626200000000, 0.0000268300000000, -0.0004418400000000 ] - [ -0.0001492600000000, -0.0005356000000000, 0.0005418300000000 ] - [ 0.0000323300000000, 0.0001597500000000, 0.0000574300000000 ] - [ 0.0001350600000000, -0.0001035700000000, 0.0000558900000000 ] - [ -0.0000639600000000, 0.0000868300000000, -0.0000294600000000 ] - [ 0.0000247600000000, -0.0002688300000000, -0.0000388500000000 ] - [ 0.0000250900000000, 0.0000573000000000, 0.0000477400000000 ] - [ 0.0007627200000000, 0.0004937100000000, -0.0002702200000000 ] - [ -0.0000538100000000, -0.0002257000000000, -0.0001651100000000 ] - [ 0.0000644100000000, -0.0000940000000000, -0.0000454100000000 ] - [ 0.0000561800000000, -0.0000545200000000, 0.0000634100000000 ] - [ 0.0002182500000000, 0.0002460700000000, -0.0001655200000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0017367200000000, -0.0004209600000000, 0.0017910400000000 ] - [ -0.0000602600000000, -0.0001775300000000, 0.0000099400000000 ] - [ 0.0000745500000000, 0.0002062400000000, -0.0000500700000000 ] - [ 0.0002809200000000, 0.0001571400000000, -0.0000072000000000 ] - [ 0.0013129800000000, -0.0002344200000000, -0.0014585500000000 ] - [ -0.0000075500000000, -0.0001164600000000, 0.0000616700000000 ] - [ 0.0000374600000000, 0.0001340500000000, -0.0000285700000000 ] - [ 0.0001259500000000, 0.0002621300000000, 0.0001438000000000 ] - [ -0.0012856300000000, 0.0033218700000000, 0.0041704900000000 ] - [ 0.0000199800000000, -0.0001297300000000, 0.0000453100000000 ] - [ 0.0000615500000000, 0.0006270600000000, 0.0004101900000000 ] - [ -0.0001416100000000, 0.0002219800000000, -0.0000717900000000 ] - [ -0.0001543800000000, -0.0000233100000000, 0.0000988700000000 ] - [ -0.0015929000000000, 0.0020084700000000, -0.0029950700000000 ] - [ 0.0001476300000000, 0.0002932100000000, 0.0001169800000000 ] - [ 0.0002383000000000, 0.0004396800000000, -0.0005233000000000 ] - [ -0.0000601300000000, -0.0001462500000000, -0.0000280000000000 ] - [ 0.0012497300000000, -0.0002714000000000, 0.0000551100000000 ] - [ -0.0000309800000000, 0.0000946100000000, 0.0000425100000000 ] - [ 0.0001098300000000, 0.0003892000000000, -0.0000149800000000 ] - [ 0.0005567000000000, -0.0004618000000000, -0.0002845500000000 ] - [ 0.0000620000000000, -0.0001474300000000, 0.0002546000000000 ] - [ -0.0000332100000000, 0.0003441400000000, -0.0000386300000000 ] - [ -0.0001140500000000, 0.0000684900000000, -0.0000383000000000 ] - [ -0.0001252000000000, -0.0000724000000000, 0.0002666800000000 ] - [ 0.0000576100000000, -0.0001757500000000, -0.0000728700000000 ] - [ -0.0000689000000000, 0.0003639000000000, 0.0000041000000000 ] - [ -0.0000033100000000, 0.0000177400000000, 0.0000186700000000 ] - [ -0.0005059900000000, -0.0006389700000000, -0.0002396500000000 ] - [ -0.0000503100000000, -0.0003318400000000, 0.0000769700000000 ] - [ 0.0001762200000000, 0.0006598900000000, -0.0002361100000000 ] - [ 0.0000148100000000, -0.0001084200000000, 0.0000163700000000 ] - [ -0.0011116200000000, 0.0004792300000000, -0.0018963400000000 ] - [ -0.0001192500000000, 0.0000014700000000, -0.0001076400000000 ] - [ -0.0002686000000000, -0.0000248400000000, 0.0001274100000000 ] - [ -0.0000256400000000, 0.0001848100000000, -0.0000917000000000 ] - [ 0.0001581400000000, 0.0000296300000000, -0.0004299200000000 ] - [ 0.0002501300000000, -0.0001629300000000, 0.0004877100000000 ] - [ -0.0000872600000000, 0.0002071800000000, 0.0000484100000000 ] - [ -0.0000626100000000, 0.0000133600000000, -0.0000664800000000 ] - [ -0.0001151900000000, -0.0000861400000000, 0.0000574700000000 ] - [ 0.0004219200000000, -0.0000803500000000, -0.0000888100000000 ] - [ 0.0001425300000000, -0.0000123900000000, 0.0000339200000000 ] - [ 0.0001774900000000, 0.0003596900000000, -0.0000620600000000 ] - [ 0.0002537500000000, -0.0005364100000000, -0.0000032800000000 ] - [ -0.0001263600000000, -0.0005582200000000, 0.0003431400000000 ] - [ 0.0001094600000000, 0.0002746900000000, 0.0001179500000000 ] - [ -0.0000018600000000, 0.0003598200000000, -0.0003019500000000 ] - [ -0.0012607400000000, 0.0025577700000000, -0.0031133800000000 ] - [ -0.0000492500000000, -0.0000437600000000, 0.0003069000000000 ] - [ -0.0002206700000000, -0.0000858500000000, 0.0002773200000000 ] - [ -0.0000054000000000, 0.0001302800000000, 0.0006606800000000 ] - [ 0.0000863200000000, -0.0001326700000000, 0.0001058600000000 ] - [ -0.0000638800000000, 0.0002190200000000, -0.0001856600000000 ] - [ -0.0001460700000000, -0.0000708700000000, 0.0002035700000000 ] - [ -0.0003034400000000, 0.0004202500000000, -0.0000748800000000 ] - [ 0.0000266100000000, -0.0000815200000000, -0.0001719500000000 ] - [ -0.0000000200000000, 0.0002569900000000, 0.0002114900000000 ] - [ 0.0000982400000000, -0.0000090700000000, -0.0002457400000000 ] - [ 0.0001173600000000, 0.0003606200000000, 0.0002866600000000 ] - [ 0.0000618700000000, 0.0000865400000000, 0.0000985800000000 ] - [ 0.0001623500000000, -0.0002646300000000, -0.0005423300000000 ] - [ -0.0000856500000000, -0.0000938300000000, -0.0004252200000000 ] - [ -0.0001081900000000, 0.0003207800000000, 0.0005412400000000 ] - [ -0.0000045700000000, 0.0011194300000000, 0.0021673200000000 ] - [ 0.0000484200000000, 0.0000941300000000, 0.0002613400000000 ] - [ -0.0004150300000000, 0.0001076400000000, -0.0000040700000000 ] - [ 0.0001240600000000, -0.0002931400000000, 0.0005763700000000 ] - [ 0.0003099900000000, -0.0007175000000000, -0.0005578300000000 ] - [ -0.0000484200000000, 0.0000595800000000, 0.0000546400000000 ] - [ 0.0001182300000000, 0.0000015300000000, -0.0000864200000000 ] - [ -0.0000670400000000, 0.0002276700000000, -0.0002750300000000 ] - [ -0.0000010900000000, -0.0007069100000000, 0.0002649600000000 ] - [ 0.0001435900000000, -0.0002442100000000, 0.0001996500000000 ] - [ -0.0000908000000000, 0.0004048900000000, -0.0000078600000000 ] - [ -0.0002023700000000, 0.0001528300000000, -0.0000251200000000 ] - [ 0.0011173100000000, -0.0398319900000000, -0.0202677800000000 ] - [ -0.0000343000000000, -0.0001375900000000, 0.0003590200000000 ] - [ 0.0000180700000000, 0.0004069100000000, 0.0001254500000000 ] - [ 0.0000506200000000, 0.0001300000000000, -0.0002550100000000 ] - [ 0.0001604100000000, 0.0005582600000000, 0.0001259500000000 ] - [ -0.0001258000000000, 0.0004427300000000, -0.0001710300000000 ] - [ -0.0000647400000000, -0.0000858400000000, -0.0002044900000000 ] - [ -0.0002417000000000, -0.0007318500000000, 0.0000719700000000 ] - [ 0.0004309900000000, 0.0016669000000000, 0.0015189600000000 ] - [ 0.0001588400000000, 0.0003678700000000, -0.0003516100000000 ] - [ -0.0004871800000000, -0.0003894200000000, 0.0000014000000000 ] - [ -0.0003066900000000, -0.0003260700000000, -0.0000091500000000 ] - [ -0.0001378200000000, 0.0002321400000000, -0.0001361000000000 ] - [ -0.0000741800000000, 0.0002576900000000, -0.0001503000000000 ] - [ -0.0001180300000000, -0.0005602200000000, 0.0003458100000000 ] - [ -0.0000743000000000, 0.0000171400000000, -0.0001859500000000 ] - [ 0.0041725800000000, 0.0167306400000000, 0.0199849800000000 ] - [ 0.0000312500000000, 0.0001836200000000, -0.0001517300000000 ] - [ -0.0001767500000000, -0.0005749600000000, 0.0000742400000000 ] - [ -0.0000757300000000, -0.0002024300000000, -0.0000659500000000 ] - [ 0.0001505000000000, 0.0004624400000000, 0.0000039600000000 ] - [ 0.0000576000000000, 0.0005559200000000, 0.0000862800000000 ] - [ 0.0000001700000000, -0.0003220500000000, -0.0001874600000000 ] - [ -0.0000140000000000, -0.0002521500000000, 0.0001353800000000 ] - [ -0.0031543300000000, 0.0024723900000000, -0.0000815000000000 ] - [ -0.0000376200000000, 0.0001591200000000, -0.0001154000000000 ] - [ 0.0000715100000000, -0.0002945000000000, 0.0000574600000000 ] - [ -0.0000859700000000, -0.0001102200000000, -0.0000621000000000 ] - [ -0.0001231900000000, 0.0000743300000000, -0.0000318300000000 ] - [ 0.0028022800000000, 0.0071956100000000, -0.0015303500000000 ] - [ 0.0002585400000000, 0.0000916600000000, -0.0001413200000000 ] - [ 0.0002093100000000, -0.0010292900000000, 0.0006053700000000 ] - [ -0.0001233500000000, -0.0003671600000000, -0.0005652900000000 ] - [ -0.0002354300000000, 0.0001079900000000, 0.0003519500000000 ] - [ 0.0003497100000000, -0.0001745500000000, -0.0000861600000000 ] - [ -0.0001036300000000, -0.0002377800000000, 0.0003125700000000 ] - [ 0.0000527500000000, 0.0001630400000000, -0.0001245800000000 ] - [ -0.0041239100000000, 0.0039842300000000, 0.0015367500000000 ] - [ 0.0000755700000000, -0.0001083300000000, -0.0000023800000000 ] - [ 0.0000208200000000, -0.0004287300000000, 0.0000161900000000 ] - [ 0.0003755500000000, 0.0009726300000000, -0.0004651000000000 ] - [ 0.0002772400000000, 0.0006847300000000, -0.0000386400000000 ] - [ -0.0002087200000000, -0.0004064500000000, -0.0000603700000000 ] - [ 0.0001474700000000, -0.0002829000000000, 0.0001078900000000 ] - [ -0.0000492700000000, -0.0000051700000000, -0.0001260500000000 ] - [ -0.0000243300000000, -0.0003468800000000, 0.0000755400000000 ] - [ -0.0000344100000000, 0.0001474500000000, -0.0000188400000000 ] - [ -0.0003208800000000, -0.0002796500000000, 0.0003050900000000 ] - [ -0.0001622500000000, -0.0009997900000000, -0.0007704700000000 ] - [ 0.0000987500000000, -0.0001107500000000, -0.0000015000000000 ] - [ -0.0001827300000000, 0.0001937600000000, -0.0003218800000000 ] - [ -0.0000345900000000, -0.0000402300000000, 0.0003135200000000 ]- atom: 77 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0019768800000000, 0.0004133900000000, -0.0017373000000000 ] - [ -0.0001821700000000, 0.0001714100000000, -0.0000641000000000 ] - [ 0.0001687400000000, -0.0002019700000000, -0.0000029000000000 ] - [ -0.0000382500000000, -0.0001649500000000, 0.0000604100000000 ] - [ -0.0013720400000000, 0.0001609300000000, 0.0014320600000000 ] - [ -0.0000461900000000, 0.0001835900000000, -0.0000342500000000 ] - [ 0.0000169200000000, -0.0002009200000000, 0.0000577600000000 ] - [ -0.0000709500000000, -0.0001964100000000, -0.0001721100000000 ] - [ 0.0013683900000000, -0.0033090000000000, -0.0041620000000000 ] - [ 0.0000950700000000, 0.0001549000000000, -0.0000110200000000 ] - [ -0.0001765200000000, -0.0006558900000000, -0.0003788100000000 ] - [ 0.0000269100000000, -0.0001996200000000, 0.0000374900000000 ] - [ -0.0001394700000000, 0.0001717200000000, -0.0000342300000000 ] - [ 0.0012748100000000, -0.0021516700000000, 0.0029080300000000 ] - [ 0.0001459500000000, -0.0001465100000000, -0.0001832300000000 ] - [ 0.0000553400000000, -0.0005907300000000, 0.0005940000000000 ] - [ 0.0000650800000000, 0.0001349800000000, -0.0000149000000000 ] - [ -0.0012488900000000, 0.0002874300000000, 0.0000002900000000 ] - [ 0.0000257900000000, -0.0001068400000000, 0.0000008300000000 ] - [ -0.0001156200000000, -0.0003774900000000, -0.0000292900000000 ] - [ -0.0003796200000000, 0.0005566100000000, 0.0001211800000000 ] - [ 0.0001060400000000, 0.0000586700000000, -0.0000921200000000 ] - [ -0.0001357100000000, -0.0002587200000000, 0.0002030600000000 ] - [ -0.0000541300000000, -0.0001575200000000, -0.0001267200000000 ] - [ 0.0001813600000000, 0.0001884300000000, -0.0002113100000000 ] - [ 0.0000002200000000, 0.0000620900000000, 0.0000200300000000 ] - [ 0.0000123200000000, -0.0002520600000000, -0.0000575300000000 ] - [ -0.0000540000000000, -0.0001313900000000, 0.0000348000000000 ] - [ 0.0004590600000000, 0.0010542200000000, 0.0002541800000000 ] - [ 0.0000038300000000, -0.0000799500000000, -0.0000864100000000 ] - [ -0.0001301100000000, -0.0002504800000000, 0.0002291700000000 ] - [ 0.0000317300000000, -0.0003032900000000, -0.0000077400000000 ] - [ 0.0009725000000000, -0.0004872100000000, 0.0020819300000000 ] - [ -0.0000377200000000, 0.0000181500000000, -0.0000662300000000 ] - [ 0.0004252800000000, 0.0000043100000000, -0.0003036100000000 ] - [ 0.0001844900000000, -0.0001692900000000, 0.0002684300000000 ] - [ 0.0001247000000000, 0.0000876300000000, 0.0000993000000000 ] - [ 0.0000343900000000, 0.0000460300000000, -0.0001570600000000 ] - [ -0.0001960600000000, -0.0000934000000000, 0.0002825500000000 ] - [ -0.0002221300000000, -0.0001292000000000, -0.0002660000000000 ] - [ -0.0001595600000000, -0.0000024100000000, -0.0000617500000000 ] - [ -0.0007028000000000, 0.0001680100000000, 0.0000989500000000 ] - [ 0.0001322600000000, -0.0000765100000000, -0.0000300700000000 ] - [ 0.0000961500000000, -0.0002737400000000, 0.0000565500000000 ] - [ -0.0002724700000000, 0.0004638500000000, -0.0004062800000000 ] - [ 0.0001135700000000, 0.0006379200000000, 0.0000623000000000 ] - [ -0.0000952300000000, -0.0003520600000000, 0.0002850500000000 ] - [ 0.0000151000000000, -0.0002820200000000, -0.0001006400000000 ] - [ 0.0011500700000000, -0.0025326000000000, 0.0028310400000000 ] - [ -0.0000753400000000, -0.0000052600000000, 0.0000067400000000 ] - [ 0.0003481600000000, 0.0001353500000000, 0.0000345500000000 ] - [ 0.0001312900000000, -0.0001806300000000, -0.0009805900000000 ] - [ 0.0000695800000000, 0.0000153800000000, -0.0001373400000000 ] - [ 0.0002207200000000, -0.0001029100000000, 0.0002144100000000 ] - [ -0.0000112300000000, -0.0000477100000000, -0.0001741800000000 ] - [ 0.0001470900000000, -0.0003027600000000, 0.0000475800000000 ] - [ -0.0001405600000000, -0.0001357700000000, 0.0005221600000000 ] - [ -0.0001129900000000, -0.0000462400000000, -0.0005610200000000 ] - [ 0.0000134000000000, -0.0002049900000000, -0.0000977600000000 ] - [ -0.0000050100000000, -0.0001468600000000, 0.0000565400000000 ] - [ 0.0001408600000000, 0.0000312200000000, 0.0001272200000000 ] - [ 0.0000408400000000, 0.0001461500000000, 0.0003182600000000 ] - [ -0.0001189500000000, 0.0002182600000000, 0.0001998000000000 ] - [ -0.0000922000000000, -0.0004404400000000, -0.0003194300000000 ] - [ 0.0000731400000000, -0.0013210700000000, -0.0026147400000000 ] - [ 0.0000132300000000, 0.0000591200000000, 0.0001471800000000 ] - [ 0.0003520600000000, -0.0002599200000000, 0.0004139100000000 ] - [ -0.0001873300000000, 0.0004509300000000, -0.0009946100000000 ] - [ -0.0003813600000000, 0.0006893900000000, 0.0003341800000000 ] - [ -0.0000191700000000, -0.0000237200000000, 0.0001692300000000 ] - [ -0.0000502500000000, -0.0000409800000000, 0.0003125000000000 ] - [ 0.0001356700000000, -0.0001938800000000, 0.0000519200000000 ] - [ 0.0003221000000000, 0.0007880300000000, -0.0003283500000000 ] - [ 0.0001786000000000, 0.0001569400000000, -0.0001477500000000 ] - [ -0.0002324000000000, -0.0003211000000000, 0.0000609600000000 ] - [ -0.0001201600000000, -0.0002395700000000, -0.0000270700000000 ] - [ -0.0010937400000000, 0.0402410500000000, 0.0192481300000000 ] - [ -0.0000209100000000, 0.0000011000000000, 0.0001793800000000 ] - [ 0.0000374500000000, -0.0002728500000000, 0.0004148300000000 ] - [ 0.0000040300000000, -0.0002650800000000, -0.0002837600000000 ] - [ -0.0000207300000000, -0.0003810700000000, 0.0002908900000000 ] - [ 0.0002689700000000, -0.0006249200000000, -0.0002505800000000 ] - [ -0.0000749800000000, 0.0002655800000000, -0.0002152500000000 ] - [ 0.0001018000000000, 0.0005536700000000, 0.0003462700000000 ] - [ -0.0000671100000000, -0.0017893800000000, -0.0012721900000000 ] - [ 0.0001703400000000, -0.0002126200000000, 0.0000441600000000 ] - [ 0.0001588500000000, 0.0002328300000000, -0.0003143500000000 ] - [ -0.0000236800000000, 0.0004836100000000, 0.0003214100000000 ] - [ 0.0001907200000000, -0.0004982900000000, -0.0000361900000000 ] - [ 0.0001295800000000, 0.0000060800000000, 0.0003123400000000 ] - [ 0.0000606600000000, 0.0002982500000000, -0.0001850900000000 ] - [ 0.0000184700000000, 0.0002463800000000, 0.0000271700000000 ] - [ -0.0040672300000000, -0.0166284300000000, -0.0195195800000000 ] - [ -0.0000464400000000, -0.0002135800000000, 0.0001705600000000 ] - [ 0.0001916700000000, 0.0006090900000000, -0.0000558100000000 ] - [ 0.0000896800000000, 0.0001738700000000, 0.0000481200000000 ] - [ -0.0001303300000000, -0.0005551600000000, 0.0001352200000000 ] - [ -0.0000406900000000, -0.0004695200000000, -0.0002281500000000 ] - [ -0.0000194900000000, 0.0002340900000000, 0.0000475300000000 ] - [ -0.0000069900000000, 0.0003402000000000, 0.0000043800000000 ] - [ 0.0030862600000000, -0.0025860500000000, 0.0001175700000000 ] - [ -0.0000839000000000, -0.0000549400000000, 0.0000761200000000 ] - [ 0.0000500500000000, 0.0001906800000000, -0.0000966300000000 ] - [ 0.0002077500000000, 0.0002153400000000, 0.0001022000000000 ] - [ -0.0000933000000000, 0.0000473900000000, 0.0001759800000000 ] - [ -0.0031868700000000, -0.0076484600000000, 0.0014282800000000 ] - [ -0.0000415800000000, 0.0000293600000000, -0.0000018300000000 ] - [ 0.0000076700000000, 0.0009125000000000, -0.0004561200000000 ] - [ 0.0000354900000000, 0.0003233500000000, 0.0005722000000000 ] - [ 0.0001453500000000, -0.0000677700000000, -0.0003555700000000 ] - [ -0.0002622800000000, 0.0001292400000000, 0.0000816600000000 ] - [ 0.0001911600000000, 0.0002872900000000, -0.0003115300000000 ] - [ -0.0000898800000000, -0.0001446500000000, -0.0000034100000000 ] - [ 0.0039991900000000, -0.0039914400000000, -0.0013986700000000 ] - [ -0.0000384500000000, 0.0001282600000000, 0.0001317500000000 ] - [ 0.0000144600000000, 0.0004098900000000, -0.0001477400000000 ] - [ -0.0004869200000000, -0.0007215000000000, 0.0005029900000000 ] - [ -0.0003811200000000, -0.0009339500000000, 0.0000015400000000 ] - [ 0.0003193600000000, 0.0006565700000000, 0.0000235900000000 ] - [ -0.0000394800000000, 0.0000383600000000, -0.0000702100000000 ] - [ -0.0000418500000000, 0.0001767200000000, 0.0000676500000000 ] - [ -0.0000642600000000, 0.0001764600000000, -0.0000203300000000 ] - [ 0.0001258200000000, 0.0000223500000000, 0.0000783700000000 ] - [ 0.0004146900000000, 0.0001114000000000, -0.0003624600000000 ] - [ 0.0002014200000000, 0.0010170500000000, 0.0009506700000000 ] - [ -0.0000572900000000, 0.0000921500000000, -0.0001791400000000 ] - [ 0.0001433900000000, -0.0001797400000000, 0.0001414500000000 ] - [ -0.0000041700000000, 0.0000219000000000, -0.0001339000000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0020993000000000, 0.0011635500000000, 0.0010859400000000 ] - [ -0.0003409000000000, -0.0000189000000000, 0.0003203100000000 ] - [ 0.0000867500000000, 0.0000446300000000, -0.0001955800000000 ] - [ 0.0000473000000000, -0.0000176900000000, 0.0002573400000000 ] - [ -0.0033595800000000, -0.0015868900000000, 0.0014083500000000 ] - [ -0.0001104400000000, 0.0000501700000000, 0.0002820100000000 ] - [ 0.0000050300000000, -0.0000153500000000, -0.0000853400000000 ] - [ 0.0000468900000000, 0.0001614000000000, 0.0002041300000000 ] - [ -0.0006604300000000, 0.0027712600000000, 0.0016140600000000 ] - [ 0.0001164400000000, -0.0000466600000000, 0.0002686200000000 ] - [ -0.0000011500000000, 0.0000948400000000, -0.0002343100000000 ] - [ -0.0000763300000000, -0.0000342400000000, 0.0002214900000000 ] - [ -0.0001828400000000, 0.0000601400000000, 0.0002613100000000 ] - [ 0.0012251700000000, -0.0034691900000000, 0.0015433800000000 ] - [ 0.0001726900000000, 0.0002312800000000, 0.0002160400000000 ] - [ 0.0001042000000000, 0.0000177800000000, -0.0002897800000000 ] - [ -0.0000501600000000, -0.0000402500000000, 0.0003589700000000 ] - [ 0.0017009700000000, 0.0003364900000000, -0.0010167800000000 ] - [ 0.0000207000000000, 0.0000071800000000, 0.0001670900000000 ] - [ 0.0000232800000000, 0.0001556300000000, -0.0002052100000000 ] - [ -0.0008803000000000, -0.0004114300000000, -0.0003590200000000 ] - [ 0.0001080700000000, 0.0001189800000000, 0.0005898100000000 ] - [ -0.0001485200000000, 0.0001163800000000, -0.0001650400000000 ] - [ -0.0001266800000000, 0.0000404700000000, 0.0000973100000000 ] - [ -0.0001254700000000, -0.0000147600000000, -0.0002955900000000 ] - [ 0.0001179700000000, -0.0001183000000000, 0.0003873900000000 ] - [ -0.0000370400000000, 0.0002620400000000, -0.0002343100000000 ] - [ -0.0000637800000000, -0.0001383300000000, 0.0002445200000000 ] - [ -0.0001263800000000, -0.0001116300000000, -0.0007393700000000 ] - [ -0.0000287300000000, -0.0000846000000000, 0.0005024200000000 ] - [ 0.0000923300000000, 0.0005245700000000, -0.0003926300000000 ] - [ 0.0000313500000000, -0.0002650500000000, 0.0002247500000000 ] - [ 0.0005554200000000, -0.0027984900000000, -0.0036563000000000 ] - [ -0.0001412700000000, -0.0001131200000000, 0.0000730000000000 ] - [ -0.0002308700000000, 0.0000332500000000, -0.0001182900000000 ] - [ 0.0002026300000000, -0.0002250600000000, 0.0005450100000000 ] - [ 0.0000921400000000, -0.0000285700000000, -0.0006046400000000 ] - [ 0.0002714400000000, 0.0000292700000000, 0.0006618300000000 ] - [ -0.0000347100000000, -0.0000689800000000, -0.0001088200000000 ] - [ -0.0000119400000000, 0.0000207500000000, 0.0000633600000000 ] - [ -0.0001253500000000, -0.0000439000000000, 0.0004138900000000 ] - [ -0.0002715400000000, 0.0000816600000000, -0.0007259400000000 ] - [ 0.0001079100000000, -0.0000197100000000, 0.0002238100000000 ] - [ 0.0001402000000000, 0.0001183600000000, -0.0003218100000000 ] - [ 0.0004229600000000, -0.0003659700000000, 0.0003909800000000 ] - [ -0.0000988800000000, -0.0001715800000000, 0.0010337200000000 ] - [ -0.0000126300000000, -0.0000161900000000, 0.0001787200000000 ] - [ -0.0000283400000000, 0.0000720000000000, -0.0001525400000000 ] - [ -0.0003602900000000, -0.0006035400000000, 0.0041897100000000 ] - [ -0.0001688300000000, -0.0002077400000000, 0.0002284400000000 ] - [ 0.0002047000000000, -0.0001938900000000, 0.0000656500000000 ] - [ -0.0000956200000000, 0.0003878400000000, 0.0011688300000000 ] - [ 0.0002191600000000, -0.0003592800000000, 0.0001992900000000 ] - [ -0.0000728000000000, 0.0001005900000000, -0.0003686400000000 ] - [ -0.0001225700000000, -0.0000354400000000, 0.0001554200000000 ] - [ 0.0001089300000000, -0.0003732100000000, -0.0000918100000000 ] - [ -0.0002673700000000, -0.0007039300000000, 0.0011039200000000 ] - [ 0.0000288900000000, 0.0006896300000000, 0.0004098000000000 ] - [ -0.0000138300000000, -0.0002403600000000, -0.0001160800000000 ] - [ 0.0001049800000000, 0.0002878300000000, 0.0001681800000000 ] - [ 0.0001812700000000, 0.0000573900000000, 0.0002232100000000 ] - [ -0.0000384400000000, 0.0001734000000000, -0.0010294300000000 ] - [ 0.0002794200000000, -0.0009807500000000, 0.0006137800000000 ] - [ -0.0000482100000000, 0.0001585400000000, 0.0000579600000000 ] - [ -0.0004169800000000, 0.0020258500000000, 0.0026620600000000 ] - [ 0.0000370400000000, 0.0000813400000000, 0.0002952900000000 ] - [ -0.0000920300000000, 0.0000732400000000, 0.0000010400000000 ] - [ -0.0003386300000000, 0.0006954000000000, -0.0004252600000000 ] - [ 0.0001821300000000, -0.0005415800000000, -0.0005158200000000 ] - [ -0.0000093000000000, 0.0001501400000000, 0.0001636300000000 ] - [ 0.0000096700000000, -0.0000374200000000, 0.0001397000000000 ] - [ -0.0000837400000000, 0.0003463400000000, -0.0003643900000000 ] - [ 0.0007315300000000, -0.0014640600000000, 0.0031893100000000 ] - [ 0.0002345100000000, 0.0000052900000000, 0.0003940000000000 ] - [ -0.0001292000000000, 0.0000412000000000, -0.0000700900000000 ] - [ -0.0001112300000000, 0.0000023900000000, 0.0002093100000000 ] - [ -0.0115689900000000, -0.0203122000000000, -0.0640701400000000 ] - [ -0.0000338100000000, 0.0000217700000000, 0.0006613600000000 ] - [ -0.0000087900000000, 0.0002128000000000, -0.0000129800000000 ] - [ -0.0000705900000000, -0.0000826500000000, 0.0003046800000000 ] - [ 0.0000744900000000, 0.0002550800000000, -0.0010465300000000 ] - [ 0.0000362000000000, -0.0000355100000000, 0.0009264800000000 ] - [ -0.0000313900000000, 0.0001286700000000, -0.0005980000000000 ] - [ -0.0001826300000000, -0.0003289400000000, 0.0007324000000000 ] - [ 0.0015664400000000, 0.0037777300000000, -0.0046404100000000 ] - [ 0.0001270300000000, 0.0001168900000000, -0.0007698300000000 ] - [ -0.0001930300000000, -0.0000250200000000, -0.0000260800000000 ] - [ -0.0001876600000000, -0.0001452800000000, -0.0001750600000000 ] - [ 0.0004302500000000, 0.0000200400000000, 0.0011886600000000 ] - [ -0.0000051100000000, -0.0000564300000000, -0.0007157000000000 ] - [ -0.0000374400000000, -0.0002811700000000, 0.0004850100000000 ] - [ -0.0000831200000000, 0.0000577200000000, -0.0004162200000000 ] - [ 0.0089539500000000, 0.0229804400000000, 0.0490265300000000 ] - [ 0.0002159600000000, -0.0000765800000000, -0.0004111400000000 ] - [ 0.0000433600000000, -0.0001740000000000, 0.0002766800000000 ] - [ 0.0001101800000000, -0.0000312100000000, -0.0004215700000000 ] - [ 0.0000772000000000, -0.0001260500000000, -0.0003812300000000 ] - [ -0.0002968800000000, -0.0000513300000000, -0.0003687000000000 ] - [ -0.0000296500000000, -0.0001388700000000, -0.0001343900000000 ] - [ 0.0001435300000000, 0.0001330000000000, 0.0000569700000000 ] - [ 0.0016707100000000, -0.0005027100000000, 0.0024888800000000 ] - [ -0.0000686100000000, 0.0000601000000000, -0.0004342600000000 ] - [ 0.0000543300000000, -0.0000684200000000, 0.0002888900000000 ] - [ -0.0000352400000000, -0.0000209700000000, -0.0003804900000000 ] - [ -0.0000860500000000, 0.0000689400000000, -0.0003039800000000 ] - [ -0.0006773100000000, -0.0018453200000000, 0.0023486200000000 ] - [ 0.0002304500000000, 0.0000606000000000, -0.0004759100000000 ] - [ 0.0002408400000000, -0.0002910000000000, 0.0012722800000000 ] - [ -0.0003143900000000, -0.0005482800000000, -0.0006124900000000 ] - [ 0.0006196400000000, 0.0008888700000000, -0.0003488600000000 ] - [ 0.0005036100000000, -0.0002650000000000, -0.0001106300000000 ] - [ 0.0000916400000000, 0.0003694900000000, -0.0003847200000000 ] - [ -0.0001002900000000, 0.0000079300000000, -0.0006292700000000 ] - [ -0.0005447200000000, 0.0009621600000000, 0.0023566900000000 ] - [ 0.0000202500000000, -0.0000675000000000, -0.0001629400000000 ] - [ 0.0000132600000000, 0.0000382100000000, 0.0004068400000000 ] - [ 0.0009772500000000, -0.0000032100000000, -0.0005057800000000 ] - [ -0.0011469400000000, 0.0003582500000000, -0.0005119200000000 ] - [ -0.0004023500000000, -0.0004880000000000, -0.0001255100000000 ] - [ 0.0000553000000000, -0.0001411200000000, 0.0000147400000000 ] - [ -0.0000814600000000, 0.0000573300000000, -0.0003682100000000 ] - [ -0.0001760900000000, -0.0000423000000000, 0.0005751200000000 ] - [ 0.0000851400000000, 0.0001183400000000, -0.0004913700000000 ] - [ -0.0001787800000000, -0.0000965500000000, 0.0012789500000000 ] - [ -0.0000084800000000, -0.0007480700000000, -0.0005458600000000 ] - [ -0.0001461000000000, 0.0000621300000000, -0.0001488100000000 ] - [ -0.0003565600000000, 0.0000006600000000, -0.0002740500000000 ] - [ 0.0002414200000000, 0.0004140400000000, -0.0002820100000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0023155500000000, -0.0011529200000000, -0.0010279600000000 ] - [ 0.0000986700000000, 0.0000147500000000, -0.0003739100000000 ] - [ 0.0001555400000000, -0.0000409700000000, 0.0001450800000000 ] - [ 0.0001939900000000, 0.0000132300000000, -0.0002066500000000 ] - [ 0.0033443000000000, 0.0015292000000000, -0.0014317100000000 ] - [ 0.0000591700000000, 0.0000193300000000, -0.0002535100000000 ] - [ 0.0000476400000000, -0.0000534700000000, 0.0001139200000000 ] - [ 0.0000059700000000, -0.0000920900000000, -0.0002325200000000 ] - [ 0.0007578100000000, -0.0027662800000000, -0.0016324000000000 ] - [ -0.0000035300000000, 0.0000723600000000, -0.0002334400000000 ] - [ -0.0001112200000000, -0.0001156700000000, 0.0002772700000000 ] - [ -0.0000360600000000, 0.0000591300000000, -0.0002593000000000 ] - [ -0.0001130900000000, 0.0000888500000000, -0.0001966200000000 ] - [ -0.0015376000000000, 0.0033495500000000, -0.0015999300000000 ] - [ 0.0001237900000000, -0.0000832300000000, -0.0002819500000000 ] - [ 0.0001938600000000, -0.0001613300000000, 0.0003493500000000 ] - [ 0.0000636000000000, 0.0000241300000000, -0.0004024700000000 ] - [ -0.0016881100000000, -0.0003163300000000, 0.0010918400000000 ] - [ -0.0000327600000000, -0.0000237400000000, -0.0001248200000000 ] - [ -0.0000353000000000, -0.0001385700000000, 0.0001620500000000 ] - [ 0.0010601600000000, 0.0005032700000000, 0.0001891600000000 ] - [ 0.0000646000000000, -0.0002097500000000, -0.0004270000000000 ] - [ -0.0000236400000000, -0.0000265100000000, 0.0003309500000000 ] - [ -0.0000449900000000, -0.0001320800000000, -0.0002632800000000 ] - [ 0.0001740400000000, 0.0001279200000000, 0.0003558900000000 ] - [ -0.0000696000000000, 0.0000078100000000, -0.0004420500000000 ] - [ -0.0000121500000000, -0.0001507100000000, 0.0001805800000000 ] - [ 0.0000140600000000, 0.0000267600000000, -0.0001917400000000 ] - [ 0.0000792500000000, 0.0005261500000000, 0.0007512900000000 ] - [ -0.0000167100000000, -0.0003265800000000, -0.0005102000000000 ] - [ -0.0000464700000000, -0.0001145700000000, 0.0003891300000000 ] - [ 0.0000146600000000, -0.0001465900000000, -0.0002197700000000 ] - [ -0.0007427300000000, 0.0028540900000000, 0.0038706200000000 ] - [ -0.0000164000000000, 0.0001310800000000, -0.0002488100000000 ] - [ 0.0003884900000000, -0.0000497000000000, -0.0000577300000000 ] - [ -0.0000439700000000, 0.0002414000000000, -0.0003703300000000 ] - [ 0.0001864400000000, 0.0001459900000000, 0.0002689000000000 ] - [ 0.0000086800000000, -0.0001438500000000, -0.0003312500000000 ] - [ -0.0002456800000000, 0.0001839200000000, 0.0004417600000000 ] - [ -0.0002690900000000, -0.0001357500000000, -0.0003960500000000 ] - [ -0.0001502800000000, -0.0000473900000000, -0.0004146500000000 ] - [ 0.0000069800000000, 0.0000073000000000, 0.0007339600000000 ] - [ 0.0001679800000000, -0.0000722800000000, -0.0002248500000000 ] - [ 0.0001349200000000, -0.0000280500000000, 0.0003225200000000 ] - [ -0.0004408300000000, 0.0002933700000000, -0.0007984700000000 ] - [ 0.0000873000000000, 0.0002563200000000, -0.0006473500000000 ] - [ 0.0000261500000000, -0.0000616600000000, 0.0002216400000000 ] - [ 0.0000421700000000, 0.0000076100000000, -0.0002497700000000 ] - [ 0.0002384800000000, 0.0006402400000000, -0.0044868300000000 ] - [ 0.0000418500000000, 0.0001558000000000, 0.0000831000000000 ] - [ -0.0000771700000000, 0.0002482800000000, 0.0002457300000000 ] - [ 0.0002246900000000, -0.0004445000000000, -0.0014921600000000 ] - [ -0.0000650000000000, 0.0002465400000000, -0.0002284100000000 ] - [ 0.0002314200000000, 0.0000127500000000, 0.0003999400000000 ] - [ -0.0000344600000000, -0.0000807300000000, -0.0001279700000000 ] - [ -0.0002653300000000, 0.0004871500000000, 0.0000658300000000 ] - [ 0.0001577500000000, 0.0004959100000000, -0.0007704100000000 ] - [ -0.0001409400000000, -0.0004797100000000, -0.0007566500000000 ] - [ 0.0001270200000000, 0.0000247400000000, -0.0002257900000000 ] - [ 0.0000084400000000, -0.0000715000000000, 0.0001720100000000 ] - [ 0.0000218600000000, 0.0000623100000000, 0.0000001200000000 ] - [ 0.0002419000000000, -0.0002945400000000, 0.0008074800000000 ] - [ -0.0004814600000000, 0.0010993000000000, -0.0008349600000000 ] - [ -0.0001530800000000, -0.0002798800000000, 0.0001614800000000 ] - [ 0.0005014900000000, -0.0022424900000000, -0.0031018900000000 ] - [ 0.0000239000000000, 0.0000712400000000, 0.0001096800000000 ] - [ 0.0000326800000000, -0.0002265500000000, 0.0004034200000000 ] - [ 0.0002778900000000, -0.0005438000000000, 0.0000196700000000 ] - [ -0.0002460800000000, 0.0004962500000000, 0.0002865900000000 ] - [ -0.0000576600000000, -0.0001125500000000, 0.0000620700000000 ] - [ 0.0000586400000000, -0.0000023200000000, 0.0000878900000000 ] - [ 0.0001519100000000, -0.0003109300000000, 0.0001393000000000 ] - [ -0.0004107000000000, 0.0015344100000000, -0.0031565300000000 ] - [ 0.0000877800000000, -0.0000890500000000, -0.0003466200000000 ] - [ -0.0001941900000000, 0.0000428100000000, 0.0001207600000000 ] - [ -0.0002112600000000, -0.0000866100000000, -0.0002590400000000 ] - [ 0.0109561900000000, 0.0192152900000000, 0.0615295400000000 ] - [ -0.0000214800000000, -0.0001562300000000, -0.0001222400000000 ] - [ 0.0000643900000000, -0.0000784100000000, 0.0005544500000000 ] - [ 0.0001262300000000, -0.0000523200000000, -0.0008479500000000 ] - [ 0.0000610000000000, -0.0000835300000000, 0.0014699500000000 ] - [ 0.0000861700000000, -0.0001451500000000, -0.0013580400000000 ] - [ -0.0001050400000000, 0.0000472400000000, 0.0001826900000000 ] - [ 0.0000464500000000, 0.0001548800000000, -0.0003135600000000 ] - [ -0.0012500000000000, -0.0039781000000000, 0.0049653100000000 ] - [ 0.0001988500000000, 0.0000425200000000, 0.0004563200000000 ] - [ -0.0001382500000000, -0.0001370200000000, -0.0002900900000000 ] - [ -0.0001394400000000, 0.0003055300000000, 0.0004926300000000 ] - [ -0.0003806100000000, -0.0002846000000000, -0.0013497000000000 ] - [ 0.0000583500000000, 0.0003161400000000, 0.0008722300000000 ] - [ -0.0000175700000000, 0.0000200100000000, -0.0003313200000000 ] - [ 0.0000287200000000, 0.0002057400000000, 0.0002634600000000 ] - [ -0.0084515000000000, -0.0217340500000000, -0.0471355000000000 ] - [ -0.0002327400000000, 0.0000432400000000, 0.0004345800000000 ] - [ -0.0000306300000000, 0.0002054900000000, -0.0002551500000000 ] - [ -0.0000935400000000, -0.0000007500000000, 0.0004026000000000 ] - [ -0.0000561300000000, 0.0000367400000000, 0.0005211000000000 ] - [ 0.0003169500000000, 0.0001409000000000, 0.0002241300000000 ] - [ 0.0000099100000000, 0.0000519700000000, -0.0000058300000000 ] - [ -0.0001621000000000, -0.0000464500000000, 0.0000849600000000 ] - [ -0.0017901000000000, 0.0004001700000000, -0.0024675400000000 ] - [ -0.0000535900000000, 0.0000455400000000, 0.0003995400000000 ] - [ 0.0000685200000000, -0.0000377800000000, -0.0003250600000000 ] - [ 0.0001599100000000, 0.0001278000000000, 0.0004186400000000 ] - [ -0.0001275100000000, 0.0000509400000000, 0.0004504900000000 ] - [ 0.0004574800000000, 0.0017154200000000, -0.0025190700000000 ] - [ -0.0000186500000000, 0.0000593600000000, 0.0003335000000000 ] - [ -0.0000284200000000, 0.0001702400000000, -0.0011292400000000 ] - [ 0.0002313600000000, 0.0004997400000000, 0.0006176600000000 ] - [ -0.0007004000000000, -0.0008358800000000, 0.0003520300000000 ] - [ -0.0004254900000000, 0.0002163800000000, 0.0001056800000000 ] - [ -0.0000089200000000, -0.0003194100000000, 0.0003904300000000 ] - [ 0.0000611600000000, 0.0000117100000000, 0.0005017300000000 ] - [ 0.0005095400000000, -0.0009767400000000, -0.0022407700000000 ] - [ 0.0000173900000000, 0.0000880600000000, 0.0002933200000000 ] - [ 0.0000272400000000, -0.0000596900000000, -0.0005389100000000 ] - [ -0.0010833900000000, 0.0002491400000000, 0.0005458100000000 ] - [ 0.0010356900000000, -0.0006011300000000, 0.0004827500000000 ] - [ 0.0005181300000000, 0.0007378200000000, 0.0000906700000000 ] - [ 0.0000533900000000, -0.0001031100000000, 0.0000198400000000 ] - [ -0.0000134400000000, 0.0001189200000000, 0.0003126200000000 ] - [ 0.0000795100000000, -0.0001361500000000, -0.0005219100000000 ] - [ 0.0000119300000000, 0.0000578100000000, 0.0005498300000000 ] - [ 0.0002746100000000, -0.0000806100000000, -0.0013392100000000 ] - [ 0.0000446200000000, 0.0007724700000000, 0.0007262000000000 ] - [ 0.0001819400000000, -0.0000863800000000, -0.0000299500000000 ] - [ 0.0003257200000000, 0.0000191100000000, 0.0000892600000000 ] - [ -0.0002771800000000, -0.0004389100000000, 0.0004638400000000 ]- atom: 81 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000643600000000, 0.0000172200000000, 0.0000240200000000 ] - [ -0.0008259200000000, -0.0001512500000000, 0.0000813400000000 ] - [ 0.0000546100000000, 0.0000349900000000, 0.0000044600000000 ] - [ 0.0007012500000000, 0.0001859300000000, -0.0000217900000000 ] - [ 0.0007039600000000, 0.0008046600000000, -0.0006986000000000 ] - [ -0.0008053400000000, -0.0004248600000000, 0.0001816600000000 ] - [ 0.0000131400000000, -0.0000418300000000, 0.0000009700000000 ] - [ 0.0004096000000000, -0.0003844200000000, 0.0001234100000000 ] - [ 0.0000455900000000, 0.0000304600000000, -0.0000169700000000 ] - [ -0.0001526600000000, 0.0002567900000000, 0.0003327400000000 ] - [ -0.0000400800000000, -0.0000140200000000, 0.0000506700000000 ] - [ -0.0001929000000000, -0.0011790000000000, 0.0000808400000000 ] - [ -0.0007538100000000, 0.0007975500000000, 0.0000302700000000 ] - [ 0.0009985300000000, 0.0009113600000000, 0.0004141700000000 ] - [ 0.0002414100000000, -0.0001875800000000, 0.0001778600000000 ] - [ 0.0001287600000000, -0.0000549200000000, 0.0000174700000000 ] - [ 0.0473410400000000, -0.0180764800000000, -0.0003882500000000 ] - [ -0.0002616600000000, -0.0001714800000000, 0.0001404200000000 ] - [ -0.0000212600000000, 0.0000154400000000, 0.0000226700000000 ] - [ 0.0000351300000000, -0.0000474500000000, -0.0000494400000000 ] - [ 0.0000554500000000, 0.0000952600000000, -0.0000752300000000 ] - [ 0.0007751500000000, 0.0008974900000000, 0.0008632300000000 ] - [ 0.0002201700000000, -0.0003296900000000, -0.0000630600000000 ] - [ -0.0001862900000000, 0.0000866700000000, -0.0000572100000000 ] - [ -0.0001300500000000, 0.0002774500000000, -0.0001774400000000 ] - [ 0.0508139600000000, -0.0180327600000000, 0.0005687500000000 ] - [ -0.0000499700000000, 0.0000029500000000, -0.0000436500000000 ] - [ -0.0000644000000000, -0.0000724200000000, -0.0000187800000000 ] - [ -0.0000613000000000, 0.0002020000000000, -0.0000820100000000 ] - [ 0.0042489300000000, 0.0009419400000000, -0.0009803100000000 ] - [ 0.0000305000000000, 0.0000773100000000, -0.0000498800000000 ] - [ -0.0000619900000000, -0.0000506400000000, 0.0000125600000000 ] - [ 0.0003901800000000, -0.0005026100000000, 0.0002123100000000 ] - [ -0.0009983100000000, 0.0003364800000000, -0.0002861600000000 ] - [ 0.0000612800000000, -0.0000302600000000, -0.0001021300000000 ] - [ 0.0001191000000000, -0.0000200000000000, 0.0002245200000000 ] - [ 0.0001424100000000, 0.0000921400000000, -0.0001779800000000 ] - [ 0.0011745900000000, 0.0007639300000000, -0.0001277400000000 ] - [ 0.0000234300000000, -0.0002551900000000, -0.0000967400000000 ] - [ -0.0001081700000000, -0.0001129700000000, -0.0001345900000000 ] - [ 0.0061867300000000, 0.0046094300000000, -0.0015841400000000 ] - [ -0.0002319500000000, 0.0000618500000000, -0.0000500900000000 ] - [ 0.0000498200000000, -0.0000138300000000, 0.0000122200000000 ] - [ 0.0001214200000000, -0.0000560300000000, -0.0001237500000000 ] - [ -0.0008714300000000, 0.0004376200000000, -0.0007200400000000 ] - [ 0.0051069100000000, 0.0039674800000000, -0.0012870300000000 ] - [ 0.0000280700000000, -0.0001759000000000, 0.0002186000000000 ] - [ -0.0000246800000000, 0.0000492800000000, -0.0002543300000000 ] - [ 0.0000004400000000, 0.0000194800000000, -0.0001475100000000 ] - [ -0.0004766600000000, 0.0005047800000000, 0.0003242900000000 ] - [ -0.0000793700000000, 0.0001727100000000, 0.0002349000000000 ] - [ 0.0001594800000000, 0.0001028800000000, -0.0002276700000000 ] - [ 0.0005124700000000, 0.0006428600000000, 0.0006097100000000 ] - [ -0.0004161600000000, 0.0002580400000000, 0.0000618800000000 ] - [ -0.0005305300000000, 0.0000358200000000, -0.0001795300000000 ] - [ -0.0000152200000000, -0.0000544100000000, -0.0002649300000000 ] - [ 0.0064745600000000, 0.0055524600000000, 0.0029013900000000 ] - [ -0.0003383700000000, 0.0001351300000000, -0.0000276700000000 ] - [ 0.0000447800000000, -0.0000840700000000, -0.0001890100000000 ] - [ 0.0000327200000000, -0.0000108900000000, 0.0002634600000000 ] - [ -0.0007837100000000, 0.0002178300000000, 0.0003405400000000 ] - [ 0.0003010500000000, -0.0003021700000000, -0.0001451900000000 ] - [ 0.0001280900000000, 0.0011485900000000, 0.0013281200000000 ] - [ -0.0001374000000000, -0.0001050700000000, 0.0001487500000000 ] - [ -0.0000702100000000, 0.0002244100000000, 0.0000846300000000 ] - [ -0.0005385800000000, 0.0004316300000000, 0.0001056100000000 ] - [ -0.0000420600000000, -0.0000280300000000, 0.0002303100000000 ] - [ 0.0001600600000000, -0.0005114000000000, -0.0011333900000000 ] - [ -0.0000328000000000, -0.0000068100000000, -0.0001869100000000 ] - [ -0.0002136700000000, -0.0000425100000000, -0.0000560400000000 ] - [ -0.0000425000000000, 0.0000194600000000, 0.0000759400000000 ] - [ 0.0002786800000000, 0.0001041300000000, -0.0003696600000000 ] - [ 0.0002176000000000, 0.0000932300000000, 0.0000108400000000 ] - [ 0.0000738200000000, -0.0003016800000000, 0.0000993600000000 ] - [ -0.0002773400000000, 0.0001412300000000, 0.0001495200000000 ] - [ -0.0000771500000000, -0.0001949000000000, -0.0000009500000000 ] - [ 0.0001067700000000, 0.0001592500000000, -0.0002643800000000 ] - [ -0.0000081200000000, 0.0001293300000000, 0.0002951300000000 ] - [ 0.0000348900000000, 0.0000626800000000, 0.0003076700000000 ] - [ 0.0000808300000000, -0.0002399500000000, -0.0001558200000000 ] - [ -0.1190736800000000, 0.0291526500000000, 0.0000751000000000 ] - [ 0.0003963900000000, -0.0005271900000000, 0.0002730700000000 ] - [ 0.0000171000000000, 0.0000152800000000, -0.0001070400000000 ] - [ 0.0000091500000000, 0.0001352100000000, 0.0002590300000000 ] - [ -0.0039216000000000, -0.0064554400000000, 0.0001728500000000 ] - [ 0.0016218800000000, -0.0001437100000000, -0.0003241200000000 ] - [ -0.0001110300000000, -0.0001009400000000, -0.0001401600000000 ] - [ -0.0001052200000000, 0.0005365300000000, -0.0002937600000000 ] - [ 0.0000356700000000, -0.0001812600000000, -0.0000370800000000 ] - [ -0.0042831800000000, -0.0057090200000000, -0.0002337200000000 ] - [ 0.0000249000000000, 0.0002520400000000, 0.0005476700000000 ] - [ 0.0000328200000000, 0.0000442100000000, -0.0001940000000000 ] - [ -0.0002053800000000, -0.0001022700000000, -0.0000319700000000 ] - [ 0.0001225600000000, -0.0002391800000000, -0.0006555100000000 ] - [ 0.0000157500000000, -0.0000293800000000, -0.0001141900000000 ] - [ -0.0006516100000000, 0.0007630700000000, -0.0000509100000000 ] - [ -0.0016892300000000, -0.0027170800000000, 0.0032252000000000 ] - [ 0.0030750000000000, 0.0018330000000000, -0.0030634100000000 ] - [ 0.0000726700000000, -0.0000074700000000, -0.0000520800000000 ] - [ 0.0001399400000000, 0.0002673200000000, 0.0000815400000000 ] - [ -0.0002306000000000, -0.0002217000000000, 0.0001376600000000 ] - [ 0.0028357900000000, 0.0022553200000000, 0.0031680600000000 ] - [ 0.0001448700000000, -0.0000150500000000, -0.0000158500000000 ] - [ 0.0000561800000000, 0.0000971600000000, 0.0000117100000000 ] - [ 0.0031334200000000, 0.0021675300000000, -0.0030304400000000 ] - [ -0.0000026700000000, -0.0000811300000000, -0.0000872500000000 ] - [ 0.0000444900000000, -0.0001670800000000, -0.0001964200000000 ] - [ 0.0000118900000000, -0.0001463500000000, 0.0000713900000000 ] - [ 0.0001209400000000, 0.0000185300000000, -0.0000888700000000 ] - [ 0.0000842300000000, -0.0000698400000000, 0.0000189800000000 ] - [ 0.0000304600000000, -0.0002423100000000, 0.0001316000000000 ] - [ -0.0016943600000000, -0.0022662100000000, -0.0029246300000000 ] - [ -0.0015907300000000, -0.0030438000000000, -0.0033686900000000 ] - [ 0.0000970200000000, -0.0000061200000000, 0.0000678700000000 ] - [ 0.0003618900000000, 0.0000328700000000, 0.0000548400000000 ] - [ 0.0000578300000000, 0.0001004900000000, -0.0000000300000000 ] - [ 0.0000943700000000, 0.0001287000000000, 0.0000152500000000 ] - [ -0.0002617300000000, -0.0003992800000000, -0.0001349500000000 ] - [ 0.0000112300000000, 0.0001714500000000, -0.0001024400000000 ] - [ 0.0003793700000000, -0.0001692100000000, -0.0000361900000000 ] - [ -0.0020545100000000, -0.0022969300000000, 0.0031147500000000 ] - [ -0.0000929100000000, -0.0001579200000000, 0.0000956200000000 ] - [ 0.0003399500000000, 0.0006261800000000, -0.0000883300000000 ] - [ 0.0002413500000000, -0.0000645300000000, 0.0000689500000000 ] - [ -0.0000750900000000, -0.0000429600000000, 0.0001136900000000 ] - [ -0.0002052300000000, -0.0000539500000000, -0.0001124400000000 ] - [ 0.0004434100000000, 0.0006521400000000, -0.0000905500000000 ] - [ 0.0033552400000000, 0.0025655100000000, 0.0035189900000000 ]- atom: 81 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001785000000000, -0.0000113800000000, 0.0000286900000000 ] - [ 0.0005857300000000, 0.0001460700000000, -0.0001352100000000 ] - [ 0.0001898000000000, -0.0000295600000000, -0.0000582700000000 ] - [ -0.0004616600000000, -0.0001955000000000, 0.0000755300000000 ] - [ -0.0007532600000000, -0.0008774300000000, 0.0006652300000000 ] - [ 0.0007560700000000, 0.0004969500000000, -0.0001546100000000 ] - [ 0.0000418300000000, -0.0000248900000000, 0.0000278000000000 ] - [ -0.0003583700000000, 0.0004508900000000, -0.0001498800000000 ] - [ 0.0000694500000000, -0.0000546700000000, -0.0000181600000000 ] - [ 0.0002632900000000, -0.0002321600000000, -0.0002956000000000 ] - [ -0.0000748100000000, -0.0000113500000000, -0.0000156000000000 ] - [ 0.0000781400000000, 0.0011941300000000, -0.0001149200000000 ] - [ 0.0004576800000000, -0.0006472900000000, 0.0000349400000000 ] - [ -0.0012962200000000, -0.0010559000000000, -0.0004869800000000 ] - [ 0.0000561800000000, 0.0003347400000000, -0.0002432600000000 ] - [ 0.0001648700000000, -0.0000938800000000, 0.0000487100000000 ] - [ -0.0452898500000000, 0.0171161400000000, 0.0003551600000000 ] - [ 0.0002658500000000, 0.0001852800000000, -0.0000991200000000 ] - [ 0.0000170400000000, -0.0000280300000000, 0.0000216500000000 ] - [ -0.0000403000000000, 0.0000598100000000, 0.0000054900000000 ] - [ 0.0001135400000000, -0.0000071800000000, -0.0000897500000000 ] - [ -0.0006028200000000, -0.0009910700000000, -0.0006938200000000 ] - [ -0.0003913700000000, 0.0004179200000000, 0.0002260500000000 ] - [ 0.0000182400000000, -0.0001751600000000, -0.0001070500000000 ] - [ 0.0001854500000000, -0.0001618700000000, 0.0002279100000000 ] - [ -0.0529297500000000, 0.0188793900000000, -0.0007131000000000 ] - [ -0.0000060800000000, 0.0001105600000000, -0.0000103500000000 ] - [ 0.0000071200000000, -0.0000423100000000, 0.0000730500000000 ] - [ 0.0000145900000000, 0.0002094200000000, 0.0000914900000000 ] - [ -0.0043032600000000, -0.0013733000000000, 0.0009577800000000 ] - [ 0.0000165300000000, 0.0003343900000000, 0.0000411500000000 ] - [ 0.0001093800000000, -0.0003622100000000, -0.0000033000000000 ] - [ -0.0005455900000000, 0.0004844000000000, -0.0000415000000000 ] - [ 0.0008330600000000, -0.0003128600000000, 0.0001173600000000 ] - [ 0.0000962700000000, 0.0000101200000000, -0.0000732800000000 ] - [ 0.0000383100000000, 0.0000394900000000, -0.0000490700000000 ] - [ 0.0001421700000000, 0.0000231100000000, -0.0001540500000000 ] - [ -0.0008942600000000, -0.0008758100000000, 0.0004651300000000 ] - [ -0.0003025800000000, 0.0003702900000000, 0.0004277000000000 ] - [ -0.0001747300000000, -0.0000037100000000, -0.0001966500000000 ] - [ -0.0064854600000000, -0.0047072200000000, 0.0015767600000000 ] - [ -0.0000429100000000, 0.0000258400000000, 0.0000544000000000 ] - [ 0.0002248700000000, -0.0000751600000000, -0.0000070500000000 ] - [ 0.0001539600000000, 0.0001451000000000, 0.0001197100000000 ] - [ 0.0008576400000000, -0.0005149800000000, 0.0003172500000000 ] - [ -0.0051199100000000, -0.0039146800000000, 0.0017063000000000 ] - [ -0.0000138000000000, 0.0000977500000000, 0.0001842200000000 ] - [ 0.0000388000000000, 0.0000285400000000, -0.0001485500000000 ] - [ -0.0001248700000000, 0.0000299500000000, -0.0001659800000000 ] - [ 0.0003509700000000, -0.0005574000000000, -0.0000092800000000 ] - [ 0.0002060000000000, -0.0001247600000000, 0.0000776400000000 ] - [ -0.0000333800000000, -0.0001519200000000, -0.0000859400000000 ] - [ -0.0003533400000000, -0.0007526400000000, -0.0006360300000000 ] - [ 0.0005727300000000, -0.0001395300000000, -0.0000361400000000 ] - [ 0.0003758100000000, -0.0001542300000000, 0.0002099700000000 ] - [ -0.0001410500000000, 0.0001719600000000, 0.0002354400000000 ] - [ -0.0066184800000000, -0.0057741300000000, -0.0025472900000000 ] - [ 0.0002264600000000, 0.0000797400000000, -0.0003188800000000 ] - [ 0.0000678800000000, -0.0001309700000000, -0.0001539600000000 ] - [ 0.0000799700000000, 0.0002258600000000, 0.0000796800000000 ] - [ 0.0009904900000000, -0.0001029700000000, -0.0001130500000000 ] - [ -0.0000968300000000, 0.0001823700000000, -0.0000807400000000 ] - [ -0.0003370800000000, -0.0010161400000000, -0.0015407700000000 ] - [ -0.0000641800000000, -0.0000121800000000, 0.0000766800000000 ] - [ 0.0001323500000000, -0.0003771000000000, -0.0004920900000000 ] - [ 0.0005962600000000, -0.0002790700000000, 0.0003008400000000 ] - [ -0.0000193200000000, -0.0001258900000000, 0.0001774600000000 ] - [ -0.0002157000000000, 0.0006558400000000, 0.0007179700000000 ] - [ -0.0000341600000000, -0.0000297700000000, -0.0000378000000000 ] - [ 0.0001471400000000, 0.0000784200000000, 0.0002835600000000 ] - [ 0.0001108100000000, -0.0000557800000000, 0.0001475100000000 ] - [ -0.0002082900000000, -0.0000673200000000, 0.0001440100000000 ] - [ 0.0001056000000000, -0.0000059300000000, -0.0000636000000000 ] - [ 0.0002483600000000, 0.0002174200000000, -0.0000482000000000 ] - [ -0.0000440200000000, -0.0000564900000000, -0.0000981500000000 ] - [ -0.0002453800000000, 0.0001072200000000, -0.0000523900000000 ] - [ -0.0001611300000000, -0.0000221300000000, -0.0002748600000000 ] - [ -0.0000566800000000, -0.0002656700000000, 0.0002420400000000 ] - [ 0.0000206000000000, 0.0000729900000000, 0.0002309000000000 ] - [ -0.0000258100000000, 0.0001032100000000, -0.0003817200000000 ] - [ 0.1193428800000000, -0.0289442500000000, 0.0004092600000000 ] - [ -0.0002542200000000, 0.0003487400000000, -0.0006913200000000 ] - [ -0.0001560300000000, 0.0001657400000000, -0.0003146100000000 ] - [ -0.0001490800000000, -0.0003162000000000, 0.0001613200000000 ] - [ 0.0042573600000000, 0.0063062800000000, 0.0001060500000000 ] - [ -0.0012952700000000, 0.0003021600000000, 0.0000150400000000 ] - [ -0.0002189200000000, -0.0000559200000000, -0.0001719600000000 ] - [ -0.0002247300000000, -0.0003840700000000, 0.0006094100000000 ] - [ 0.0000217400000000, -0.0000812800000000, -0.0001217000000000 ] - [ 0.0043474500000000, 0.0059771900000000, 0.0004249900000000 ] - [ -0.0000824500000000, -0.0005200700000000, -0.0003929100000000 ] - [ -0.0000877400000000, 0.0002202900000000, 0.0000336400000000 ] - [ 0.0001924700000000, 0.0001308700000000, 0.0000145500000000 ] - [ -0.0001299400000000, 0.0002093900000000, 0.0006752300000000 ] - [ -0.0000011000000000, 0.0000595800000000, 0.0001336900000000 ] - [ 0.0006647400000000, -0.0007921700000000, 0.0000305400000000 ] - [ 0.0017111100000000, 0.0026178900000000, -0.0030741500000000 ] - [ -0.0030727400000000, -0.0017534400000000, 0.0029412300000000 ] - [ -0.0000922700000000, -0.0000806000000000, -0.0000880700000000 ] - [ -0.0001576500000000, -0.0001774000000000, 0.0000580800000000 ] - [ 0.0001094100000000, 0.0001166700000000, -0.0000966900000000 ] - [ -0.0029744900000000, -0.0021572000000000, -0.0032231100000000 ] - [ -0.0000234800000000, -0.0000900300000000, -0.0000232800000000 ] - [ 0.0000656800000000, 0.0000081200000000, 0.0000264100000000 ] - [ -0.0033341100000000, -0.0020345300000000, 0.0031541300000000 ] - [ -0.0002139300000000, -0.0000402400000000, -0.0000559600000000 ] - [ 0.0001729000000000, 0.0002881100000000, 0.0000512600000000 ] - [ 0.0002063400000000, 0.0000252400000000, 0.0000727500000000 ] - [ -0.0002097100000000, -0.0000642100000000, 0.0000931900000000 ] - [ -0.0001720400000000, 0.0001167800000000, -0.0000225900000000 ] - [ 0.0000588100000000, 0.0001954000000000, -0.0001362400000000 ] - [ 0.0017884700000000, 0.0023243500000000, 0.0029411700000000 ] - [ 0.0015554700000000, 0.0030523800000000, 0.0032280800000000 ] - [ -0.0001334600000000, -0.0000142900000000, 0.0000626200000000 ] - [ -0.0003244600000000, -0.0000127900000000, 0.0000728100000000 ] - [ -0.0000197800000000, -0.0001196000000000, -0.0001292200000000 ] - [ -0.0002020200000000, 0.0001148300000000, 0.0000227200000000 ] - [ 0.0001539400000000, 0.0001520900000000, 0.0000972800000000 ] - [ 0.0000972600000000, 0.0000744100000000, 0.0000656400000000 ] - [ -0.0002711000000000, -0.0000760900000000, 0.0000764100000000 ] - [ 0.0019654800000000, 0.0024786000000000, -0.0031837500000000 ] - [ 0.0000017700000000, -0.0000133800000000, -0.0000364000000000 ] - [ -0.0002466100000000, -0.0004512600000000, 0.0001410400000000 ] - [ -0.0001501000000000, -0.0001060100000000, -0.0001265900000000 ] - [ 0.0001172900000000, 0.0000617900000000, 0.0000671100000000 ] - [ 0.0002448900000000, 0.0000365600000000, -0.0000691300000000 ] - [ -0.0004816100000000, -0.0006289600000000, -0.0000883000000000 ] - [ -0.0033785400000000, -0.0025731600000000, -0.0033168600000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000034900000000, 0.0002220300000000, 0.0000616200000000 ] - [ -0.0009312200000000, 0.0003568200000000, -0.0000256600000000 ] - [ 0.0002214800000000, -0.0002674100000000, -0.0000775200000000 ] - [ -0.0002953300000000, -0.0013713000000000, 0.0000531700000000 ] - [ 0.0003357700000000, 0.0032158300000000, -0.0002201000000000 ] - [ -0.0004018500000000, 0.0002849600000000, 0.0000757700000000 ] - [ 0.0000507400000000, -0.0002421500000000, 0.0000153900000000 ] - [ -0.0000316600000000, -0.0006665400000000, 0.0005476000000000 ] - [ -0.0000106900000000, 0.0002969700000000, 0.0000303900000000 ] - [ 0.0001317700000000, -0.0000118200000000, -0.0002702300000000 ] - [ -0.0001254000000000, -0.0004354500000000, 0.0000815100000000 ] - [ -0.0005043900000000, -0.0007475300000000, -0.0000113800000000 ] - [ 0.0000159300000000, -0.0000449900000000, 0.0000706600000000 ] - [ 0.0012843300000000, 0.0027097300000000, -0.0007166600000000 ] - [ -0.0004129500000000, -0.0003832300000000, 0.0005580400000000 ] - [ 0.0001454700000000, -0.0002628600000000, 0.0000283000000000 ] - [ -0.0183428500000000, 0.0119357700000000, -0.0000166300000000 ] - [ -0.0008288900000000, 0.0000742300000000, 0.0000741700000000 ] - [ 0.0000110300000000, -0.0002670600000000, 0.0000228400000000 ] - [ 0.0000805500000000, -0.0001884500000000, -0.0000362500000000 ] - [ 0.0000352900000000, 0.0002264700000000, -0.0000361300000000 ] - [ 0.0007118500000000, 0.0033163200000000, 0.0003803700000000 ] - [ -0.0001341900000000, -0.0006142400000000, -0.0004456500000000 ] - [ -0.0000921800000000, -0.0003560600000000, -0.0000835200000000 ] - [ 0.0001752600000000, 0.0000243900000000, 0.0003458500000000 ] - [ -0.0172069200000000, 0.0098964200000000, -0.0004642200000000 ] - [ -0.0001290700000000, 0.0000172800000000, -0.0000109100000000 ] - [ -0.0000733100000000, -0.0004047900000000, -0.0000591200000000 ] - [ -0.0002105900000000, 0.0005248800000000, 0.0002335200000000 ] - [ 0.0018764900000000, 0.0066847600000000, -0.0022448900000000 ] - [ -0.0001458200000000, -0.0001263600000000, -0.0000489000000000 ] - [ 0.0001306600000000, -0.0006998300000000, 0.0000596100000000 ] - [ 0.0002154500000000, -0.0008668200000000, 0.0002827600000000 ] - [ 0.0004781100000000, 0.0001213100000000, 0.0000079700000000 ] - [ 0.0000574400000000, 0.0000312000000000, -0.0000985100000000 ] - [ 0.0001036200000000, -0.0002069900000000, -0.0000593900000000 ] - [ 0.0001214600000000, 0.0000973900000000, -0.0001444500000000 ] - [ 0.0012983000000000, 0.0027706100000000, 0.0008446500000000 ] - [ -0.0007134700000000, -0.0004512000000000, -0.0004084700000000 ] - [ -0.0002172800000000, -0.0005280800000000, -0.0002547100000000 ] - [ 0.0051134400000000, 0.0172560900000000, -0.0050029400000000 ] - [ -0.0001783200000000, -0.0001683900000000, 0.0003287800000000 ] - [ 0.0000204300000000, -0.0003552700000000, -0.0000364500000000 ] - [ 0.0000637800000000, -0.0001791900000000, -0.0003276000000000 ] - [ 0.0000778300000000, 0.0002294100000000, 0.0000956900000000 ] - [ 0.0029726100000000, 0.0125078700000000, -0.0022299800000000 ] - [ -0.0001371200000000, -0.0004231800000000, 0.0004314200000000 ] - [ 0.0000073100000000, -0.0002105400000000, -0.0001449900000000 ] - [ 0.0000076800000000, 0.0000282800000000, -0.0001506000000000 ] - [ -0.0000977900000000, -0.0003735900000000, -0.0000451400000000 ] - [ 0.0001651500000000, -0.0000267900000000, -0.0000439600000000 ] - [ -0.0003495900000000, 0.0003165600000000, -0.0008062000000000 ] - [ 0.0000835200000000, 0.0006617400000000, 0.0000721100000000 ] - [ 0.0001094500000000, 0.0000130900000000, -0.0002244000000000 ] - [ 0.0000788600000000, 0.0000252900000000, 0.0002704300000000 ] - [ -0.0000286800000000, -0.0001347800000000, -0.0003310600000000 ] - [ 0.0056383900000000, 0.0193269500000000, 0.0077463700000000 ] - [ -0.0002119100000000, 0.0000153900000000, -0.0000867100000000 ] - [ 0.0000426700000000, -0.0002801500000000, -0.0001828800000000 ] - [ -0.0000291300000000, -0.0001200300000000, 0.0005217100000000 ] - [ 0.0003906200000000, 0.0004049100000000, 0.0000477600000000 ] - [ 0.0002634200000000, -0.0005763100000000, -0.0000571100000000 ] - [ -0.0006040500000000, 0.0010614000000000, 0.0007062900000000 ] - [ -0.0001106400000000, -0.0000382400000000, 0.0000603000000000 ] - [ -0.0002110100000000, 0.0003731400000000, 0.0001404300000000 ] - [ 0.0003842900000000, 0.0001207800000000, 0.0003446500000000 ] - [ -0.0000436200000000, -0.0000547500000000, 0.0001905600000000 ] - [ 0.0001744700000000, -0.0003143000000000, -0.0007884800000000 ] - [ -0.0000687200000000, -0.0000341400000000, -0.0002260000000000 ] - [ 0.0001122600000000, 0.0001986300000000, 0.0003592700000000 ] - [ 0.0000768900000000, 0.0001489000000000, 0.0001694800000000 ] - [ -0.0000577100000000, -0.0005423800000000, 0.0002815100000000 ] - [ 0.0002073200000000, 0.0001728300000000, -0.0000001300000000 ] - [ -0.0000777700000000, 0.0005349000000000, 0.0000361400000000 ] - [ -0.0000029300000000, -0.0002912200000000, -0.0002451600000000 ] - [ -0.0001418200000000, -0.0009951200000000, 0.0001502600000000 ] - [ 0.0000371100000000, 0.0005381200000000, -0.0001030500000000 ] - [ -0.0002375900000000, 0.0004653200000000, 0.0003242600000000 ] - [ 0.0000161000000000, -0.0001087200000000, 0.0002309000000000 ] - [ -0.0001198500000000, -0.0007113500000000, -0.0000290600000000 ] - [ 0.0290331000000000, -0.0570862600000000, 0.0028816100000000 ] - [ 0.0005076400000000, -0.0000318700000000, -0.0003879000000000 ] - [ 0.0000056700000000, 0.0005635900000000, -0.0002325600000000 ] - [ 0.0001559900000000, 0.0005036800000000, 0.0001548500000000 ] - [ -0.0059328900000000, -0.0175873000000000, 0.0005310300000000 ] - [ 0.0003813500000000, -0.0000264500000000, -0.0004078400000000 ] - [ -0.0001522500000000, 0.0001951900000000, -0.0001606800000000 ] - [ 0.0002566600000000, 0.0011928000000000, -0.0011525700000000 ] - [ 0.0000235900000000, -0.0002713100000000, -0.0002267200000000 ] - [ -0.0060016900000000, -0.0173460800000000, -0.0013680100000000 ] - [ 0.0002934700000000, 0.0008476600000000, 0.0013354000000000 ] - [ 0.0001624800000000, 0.0005501000000000, 0.0000878600000000 ] - [ -0.0001095100000000, -0.0005424500000000, -0.0001810900000000 ] - [ 0.0006206600000000, -0.0006681500000000, 0.0001027800000000 ] - [ 0.0000819400000000, 0.0004535700000000, 0.0002350000000000 ] - [ 0.0009549900000000, 0.0016991500000000, 0.0001701400000000 ] - [ -0.0022451400000000, 0.0016661000000000, -0.0014988500000000 ] - [ 0.0017515200000000, -0.0025419400000000, 0.0009224800000000 ] - [ 0.0000916200000000, 0.0001624500000000, -0.0002596100000000 ] - [ 0.0001943900000000, 0.0006219000000000, 0.0000408100000000 ] - [ -0.0002444400000000, -0.0002994700000000, 0.0000058800000000 ] - [ 0.0015556700000000, -0.0025038000000000, -0.0013278000000000 ] - [ 0.0001892300000000, 0.0001523700000000, 0.0001527300000000 ] - [ 0.0001628900000000, 0.0009294700000000, -0.0000757100000000 ] - [ 0.0025252800000000, -0.0024255500000000, 0.0009290400000000 ] - [ -0.0000644800000000, 0.0000743200000000, -0.0002760800000000 ] - [ -0.0001393600000000, 0.0004781700000000, -0.0000155300000000 ] - [ -0.0001455400000000, -0.0000596900000000, 0.0003263000000000 ] - [ 0.0001097000000000, -0.0003958300000000, -0.0002273600000000 ] - [ 0.0001671900000000, 0.0001802600000000, 0.0002831000000000 ] - [ -0.0000318100000000, 0.0003519100000000, -0.0000348200000000 ] - [ -0.0031568700000000, 0.0028383700000000, 0.0015388400000000 ] - [ -0.0025092800000000, 0.0018216100000000, 0.0011695300000000 ] - [ 0.0000333700000000, -0.0005179400000000, 0.0001302200000000 ] - [ 0.0002203000000000, 0.0003879500000000, -0.0000334500000000 ] - [ 0.0001362500000000, 0.0003890400000000, 0.0000154100000000 ] - [ 0.0000802100000000, -0.0003651000000000, -0.0000578100000000 ] - [ -0.0003262800000000, -0.0005265800000000, 0.0000497100000000 ] - [ 0.0001927200000000, 0.0008555000000000, 0.0000606300000000 ] - [ 0.0001423400000000, 0.0003182800000000, 0.0000750000000000 ] - [ -0.0030814800000000, 0.0026651600000000, -0.0015332600000000 ] - [ -0.0001045100000000, 0.0001360700000000, -0.0000230300000000 ] - [ 0.0008181900000000, 0.0016709900000000, -0.0001962600000000 ] - [ 0.0002208100000000, -0.0004490200000000, 0.0001979800000000 ] - [ -0.0002633900000000, 0.0000484700000000, -0.0001885600000000 ] - [ -0.0003001000000000, 0.0002533200000000, 0.0000359700000000 ] - [ 0.0008341300000000, 0.0019692300000000, -0.0000236500000000 ] - [ 0.0028939500000000, -0.0024572300000000, -0.0010304600000000 ]- atom: 81 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002445700000000, -0.0002184200000000, -0.0000099800000000 ] - [ 0.0006940100000000, -0.0003590600000000, -0.0000264900000000 ] - [ 0.0000198000000000, 0.0002711900000000, 0.0000254800000000 ] - [ 0.0005345500000000, 0.0013587600000000, -0.0000006100000000 ] - [ -0.0003874700000000, -0.0032822900000000, 0.0001828600000000 ] - [ 0.0003538700000000, -0.0002126800000000, -0.0000489100000000 ] - [ 0.0000017800000000, 0.0001732700000000, 0.0000129900000000 ] - [ 0.0000823500000000, 0.0007387600000000, -0.0005773400000000 ] - [ 0.0001228200000000, -0.0003222500000000, -0.0000667800000000 ] - [ -0.0000205800000000, 0.0000388000000000, 0.0003069500000000 ] - [ 0.0000123500000000, 0.0004097600000000, -0.0000447700000000 ] - [ 0.0003886400000000, 0.0007693400000000, -0.0000248200000000 ] - [ -0.0003131000000000, 0.0001920100000000, -0.0000058100000000 ] - [ -0.0015827500000000, -0.0028616500000000, 0.0006424800000000 ] - [ 0.0007119200000000, 0.0005316600000000, -0.0006244100000000 ] - [ 0.0001503500000000, 0.0001140800000000, 0.0000374700000000 ] - [ 0.0185106700000000, -0.0118846300000000, -0.0000226300000000 ] - [ 0.0008429700000000, -0.0000550900000000, -0.0000337200000000 ] - [ -0.0000231600000000, 0.0002509900000000, 0.0000212000000000 ] - [ -0.0000939200000000, 0.0002047800000000, -0.0000072600000000 ] - [ 0.0001367300000000, -0.0001344200000000, -0.0001288300000000 ] - [ -0.0005418300000000, -0.0034043300000000, -0.0002059400000000 ] - [ -0.0000396300000000, 0.0007079900000000, 0.0006127800000000 ] - [ -0.0000800300000000, 0.0002656900000000, -0.0000814900000000 ] - [ -0.0001268300000000, 0.0000889800000000, -0.0002924500000000 ] - [ 0.0171475400000000, -0.0100948000000000, 0.0004036200000000 ] - [ 0.0000803300000000, 0.0000935000000000, -0.0000432800000000 ] - [ 0.0000237100000000, 0.0002933500000000, 0.0001139600000000 ] - [ 0.0001635700000000, -0.0001116400000000, -0.0002274000000000 ] - [ -0.0020125200000000, -0.0073376500000000, 0.0020486200000000 ] - [ 0.0001919300000000, 0.0005379400000000, 0.0000443000000000 ] - [ -0.0000844000000000, 0.0002881200000000, -0.0000533300000000 ] - [ -0.0003721100000000, 0.0008463200000000, -0.0001080200000000 ] - [ -0.0006363600000000, -0.0001045900000000, -0.0001834600000000 ] - [ 0.0001012700000000, -0.0000484600000000, -0.0000780200000000 ] - [ 0.0000543700000000, 0.0002243500000000, 0.0002376500000000 ] - [ 0.0001586300000000, 0.0000182600000000, -0.0001877700000000 ] - [ -0.0010170600000000, -0.0028906500000000, -0.0005031300000000 ] - [ 0.0004364800000000, 0.0005666300000000, 0.0007421300000000 ] - [ -0.0000622700000000, 0.0004126800000000, -0.0000773700000000 ] - [ -0.0052252800000000, -0.0169657800000000, 0.0045502900000000 ] - [ -0.0000973300000000, 0.0002598500000000, -0.0003276900000000 ] - [ 0.0002546800000000, 0.0002639800000000, 0.0000370100000000 ] - [ 0.0002117300000000, 0.0002708800000000, 0.0003281100000000 ] - [ -0.0000905600000000, -0.0003077900000000, -0.0004951800000000 ] - [ -0.0031479300000000, -0.0127738400000000, 0.0029577200000000 ] - [ 0.0001506400000000, 0.0003451900000000, -0.0000318100000000 ] - [ 0.0000058800000000, 0.0002889000000000, -0.0002555500000000 ] - [ -0.0001341700000000, 0.0000242500000000, -0.0001619600000000 ] - [ -0.0000290900000000, 0.0003216900000000, 0.0003580300000000 ] - [ -0.0000360800000000, 0.0000800600000000, 0.0003544800000000 ] - [ 0.0004770300000000, -0.0003693200000000, 0.0004956300000000 ] - [ 0.0000696300000000, -0.0007827600000000, -0.0000937300000000 ] - [ 0.0000464300000000, 0.0001013500000000, 0.0002506500000000 ] - [ -0.0002340900000000, -0.0001413400000000, -0.0002431100000000 ] - [ -0.0001276600000000, 0.0002500500000000, 0.0003031400000000 ] - [ -0.0055743200000000, -0.0191661100000000, -0.0069069900000000 ] - [ 0.0000991500000000, 0.0002014300000000, -0.0002550500000000 ] - [ 0.0000702900000000, 0.0000640100000000, -0.0001570600000000 ] - [ 0.0001421000000000, 0.0003362500000000, -0.0001816400000000 ] - [ -0.0001888500000000, -0.0002848500000000, 0.0001763800000000 ] - [ -0.0000590900000000, 0.0004540200000000, -0.0001669400000000 ] - [ 0.0003958100000000, -0.0009307300000000, -0.0009179600000000 ] - [ -0.0000923100000000, -0.0000812700000000, 0.0001626000000000 ] - [ 0.0002712400000000, -0.0005237300000000, -0.0005409800000000 ] - [ -0.0003246900000000, 0.0000340000000000, 0.0000601900000000 ] - [ -0.0000175400000000, -0.0000977700000000, 0.0002148000000000 ] - [ -0.0002318500000000, 0.0004594500000000, 0.0003741400000000 ] - [ 0.0000015500000000, -0.0000026800000000, -0.0000003800000000 ] - [ -0.0001795100000000, -0.0001616800000000, -0.0001323600000000 ] - [ -0.0000081400000000, -0.0001872600000000, 0.0000561500000000 ] - [ 0.0001267100000000, 0.0005811300000000, -0.0005123300000000 ] - [ 0.0001153500000000, -0.0000876900000000, -0.0000482500000000 ] - [ 0.0003964200000000, -0.0006172700000000, 0.0000127900000000 ] - [ -0.0003202600000000, 0.0003738200000000, 0.0002942600000000 ] - [ -0.0001824600000000, 0.0009123500000000, -0.0002009200000000 ] - [ -0.0000921400000000, -0.0004022200000000, -0.0004392400000000 ] - [ 0.0001806700000000, -0.0006000300000000, 0.0002121800000000 ] - [ 0.0000391000000000, 0.0002426900000000, 0.0003098700000000 ] - [ 0.0001748800000000, 0.0005770000000000, -0.0005102400000000 ] - [ -0.0290346300000000, 0.0570594800000000, -0.0026570800000000 ] - [ -0.0003708300000000, -0.0001431200000000, -0.0000322000000000 ] - [ -0.0001420800000000, -0.0003875200000000, -0.0001870300000000 ] - [ -0.0002927500000000, -0.0006782900000000, 0.0002636200000000 ] - [ 0.0062621000000000, 0.0174397600000000, -0.0002369200000000 ] - [ -0.0000585300000000, 0.0001858000000000, 0.0000937300000000 ] - [ -0.0001752700000000, -0.0003549800000000, -0.0001569300000000 ] - [ -0.0005862200000000, -0.0010368100000000, 0.0014763000000000 ] - [ 0.0000305900000000, 0.0000079000000000, 0.0000705100000000 ] - [ 0.0060606300000000, 0.0176236200000000, 0.0015507000000000 ] - [ -0.0003508100000000, -0.0011141100000000, -0.0011858200000000 ] - [ -0.0002163000000000, -0.0002862800000000, -0.0002447800000000 ] - [ 0.0000941100000000, 0.0005767800000000, 0.0001616000000000 ] - [ -0.0006354600000000, 0.0006345100000000, -0.0000768600000000 ] - [ -0.0000646100000000, -0.0004201300000000, -0.0002147300000000 ] - [ -0.0009336700000000, -0.0017290000000000, -0.0001931900000000 ] - [ 0.0022712400000000, -0.0017588900000000, 0.0016439500000000 ] - [ -0.0017316500000000, 0.0026305500000000, -0.0010637600000000 ] - [ -0.0001115300000000, -0.0002490700000000, 0.0001190600000000 ] - [ -0.0002121700000000, -0.0005328900000000, 0.0001000300000000 ] - [ 0.0001203200000000, 0.0001911500000000, 0.0000315800000000 ] - [ -0.0016831100000000, 0.0026122500000000, 0.0012936500000000 ] - [ -0.0000667500000000, -0.0002580000000000, -0.0001884200000000 ] - [ -0.0000398300000000, -0.0008234200000000, 0.0001086200000000 ] - [ -0.0027421800000000, 0.0025471500000000, -0.0007817300000000 ] - [ -0.0001482500000000, -0.0001953000000000, 0.0001308100000000 ] - [ 0.0003529100000000, -0.0003583600000000, -0.0001302800000000 ] - [ 0.0003602700000000, -0.0000571800000000, -0.0001807700000000 ] - [ -0.0001920000000000, 0.0003501400000000, 0.0002291100000000 ] - [ -0.0002493000000000, -0.0001310000000000, -0.0002866300000000 ] - [ 0.0001150100000000, -0.0004011800000000, 0.0000306600000000 ] - [ 0.0032367600000000, -0.0027806800000000, -0.0015226100000000 ] - [ 0.0024831000000000, -0.0018083000000000, -0.0013029200000000 ] - [ -0.0000728300000000, 0.0004969500000000, 0.0000008700000000 ] - [ -0.0001823600000000, -0.0003674800000000, 0.0001619200000000 ] - [ -0.0000975500000000, -0.0004090900000000, -0.0001456300000000 ] - [ -0.0001905400000000, 0.0006079500000000, 0.0000906900000000 ] - [ 0.0002156700000000, 0.0002775800000000, -0.0000864600000000 ] - [ -0.0000834300000000, -0.0006106700000000, -0.0000926600000000 ] - [ -0.0000325300000000, -0.0005630400000000, -0.0000389600000000 ] - [ 0.0029828800000000, -0.0024828800000000, 0.0014697800000000 ] - [ 0.0000084500000000, -0.0003119500000000, 0.0000794000000000 ] - [ -0.0007219500000000, -0.0014967400000000, 0.0002493800000000 ] - [ -0.0001248800000000, 0.0002757900000000, -0.0002530700000000 ] - [ 0.0003011800000000, -0.0000212800000000, 0.0003670100000000 ] - [ 0.0003344800000000, -0.0002762800000000, -0.0002165400000000 ] - [ -0.0008660300000000, -0.0019416100000000, -0.0001546800000000 ] - [ -0.0029376300000000, 0.0024352600000000, 0.0012101200000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002291900000000, -0.0000171600000000, -0.0008728000000000 ] - [ -0.0014259100000000, 0.0000209100000000, 0.0002659200000000 ] - [ 0.0001641300000000, -0.0000433200000000, -0.0000691700000000 ] - [ 0.0000107900000000, 0.0001795900000000, 0.0012876900000000 ] - [ -0.0019460200000000, 0.0010689600000000, -0.0024136900000000 ] - [ -0.0000016500000000, 0.0002467900000000, 0.0005020300000000 ] - [ -0.0000362000000000, -0.0000270800000000, -0.0003161700000000 ] - [ 0.0000002100000000, 0.0009294600000000, -0.0006428200000000 ] - [ 0.0000595100000000, -0.0000718700000000, -0.0008843800000000 ] - [ 0.0000795500000000, -0.0002559600000000, -0.0000043100000000 ] - [ -0.0000220800000000, 0.0002087300000000, -0.0002012400000000 ] - [ 0.0000122500000000, 0.0001418500000000, 0.0013481500000000 ] - [ -0.0000322900000000, 0.0000850100000000, 0.0006955500000000 ] - [ 0.0016792500000000, -0.0002977900000000, -0.0021639700000000 ] - [ 0.0006934100000000, 0.0008132400000000, -0.0007628200000000 ] - [ 0.0001323000000000, -0.0000430100000000, -0.0003127100000000 ] - [ -0.0002145900000000, -0.0000765800000000, 0.0051953900000000 ] - [ 0.0010793600000000, 0.0003152600000000, -0.0000252200000000 ] - [ 0.0000559800000000, 0.0000624100000000, 0.0000495000000000 ] - [ 0.0000449700000000, -0.0000233200000000, -0.0007287100000000 ] - [ 0.0000147000000000, 0.0000203300000000, -0.0006966400000000 ] - [ 0.0016943000000000, -0.0009450500000000, -0.0020342700000000 ] - [ -0.0000127300000000, -0.0008848800000000, -0.0005759000000000 ] - [ -0.0001077900000000, -0.0000449000000000, 0.0002077000000000 ] - [ -0.0002065100000000, 0.0003424400000000, -0.0001838800000000 ] - [ 0.0025463400000000, -0.0013001900000000, 0.0052415800000000 ] - [ 0.0000096600000000, 0.0000022800000000, -0.0008263800000000 ] - [ -0.0001298100000000, -0.0002035000000000, -0.0000783900000000 ] - [ 0.0000057300000000, 0.0002901400000000, -0.0005964400000000 ] - [ -0.0006178600000000, -0.0013909100000000, 0.0007666400000000 ] - [ -0.0000791900000000, 0.0001530500000000, -0.0006113300000000 ] - [ -0.0000446400000000, -0.0001528500000000, 0.0002595200000000 ] - [ -0.0004945900000000, 0.0010974100000000, -0.0003188000000000 ] - [ 0.0000515700000000, 0.0000916500000000, 0.0009677100000000 ] - [ 0.0000373800000000, -0.0000280800000000, -0.0005282000000000 ] - [ 0.0001171200000000, -0.0001267500000000, 0.0008218900000000 ] - [ 0.0003689200000000, 0.0001795300000000, -0.0007080600000000 ] - [ -0.0019577300000000, 0.0006435400000000, -0.0022158500000000 ] - [ -0.0007194100000000, -0.0008069400000000, -0.0006180600000000 ] - [ 0.0000189800000000, 0.0000293100000000, 0.0005079800000000 ] - [ -0.0043815000000000, -0.0101073700000000, 0.0096249000000000 ] - [ -0.0000586300000000, 0.0003955000000000, -0.0005303300000000 ] - [ -0.0000890800000000, -0.0001303100000000, 0.0002369000000000 ] - [ 0.0000195400000000, -0.0004337400000000, -0.0008879800000000 ] - [ 0.0000666300000000, -0.0000399600000000, 0.0005544100000000 ] - [ -0.0008287100000000, -0.0031566800000000, 0.0070103400000000 ] - [ 0.0000497800000000, 0.0001235500000000, -0.0004407600000000 ] - [ -0.0000523200000000, 0.0001001500000000, -0.0004538800000000 ] - [ -0.0002958300000000, 0.0004926300000000, -0.0004874000000000 ] - [ -0.0001599600000000, -0.0001102500000000, -0.0003556500000000 ] - [ 0.0004855100000000, 0.0001172000000000, -0.0000335900000000 ] - [ 0.0000025500000000, 0.0001108400000000, -0.0001256700000000 ] - [ 0.0007284500000000, -0.0019793100000000, -0.0005765100000000 ] - [ -0.0000409700000000, -0.0003376200000000, -0.0003973500000000 ] - [ -0.0003991500000000, -0.0000429500000000, -0.0000605200000000 ] - [ 0.0000314000000000, -0.0001524900000000, -0.0008408500000000 ] - [ 0.0050137000000000, 0.0131913000000000, 0.0133885600000000 ] - [ 0.0000842900000000, 0.0001364400000000, 0.0002182900000000 ] - [ 0.0000385500000000, -0.0001171900000000, -0.0003700500000000 ] - [ 0.0001904500000000, 0.0005238700000000, -0.0007118800000000 ] - [ 0.0001698900000000, -0.0001174700000000, 0.0007862300000000 ] - [ -0.0001159300000000, 0.0003442200000000, -0.0000507400000000 ] - [ -0.0006065100000000, 0.0010915100000000, 0.0013948300000000 ] - [ -0.0001223800000000, 0.0000377700000000, -0.0003214300000000 ] - [ 0.0002423800000000, -0.0004701100000000, -0.0011205900000000 ] - [ -0.0005745400000000, 0.0002252400000000, 0.0004182100000000 ] - [ -0.0000731300000000, -0.0001815500000000, 0.0002936200000000 ] - [ 0.0001293600000000, -0.0002885800000000, -0.0013943100000000 ] - [ 0.0001547700000000, -0.0003831300000000, 0.0000744000000000 ] - [ -0.0000828300000000, 0.0002691100000000, -0.0000624200000000 ] - [ 0.0003481900000000, -0.0001273700000000, 0.0002111500000000 ] - [ -0.0002168600000000, 0.0007048900000000, 0.0011581300000000 ] - [ 0.0003245000000000, -0.0000369100000000, -0.0008028500000000 ] - [ 0.0006614800000000, 0.0000367700000000, -0.0001448100000000 ] - [ -0.0000664200000000, -0.0002711900000000, -0.0000117000000000 ] - [ -0.0000612900000000, -0.0000533100000000, 0.0003919500000000 ] - [ -0.0000074600000000, -0.0000133900000000, -0.0015291400000000 ] - [ 0.0001312600000000, -0.0000276800000000, 0.0014125800000000 ] - [ 0.0000830200000000, 0.0000622800000000, -0.0001198000000000 ] - [ 0.0000518100000000, 0.0000687700000000, 0.0002533400000000 ] - [ -0.0001982300000000, 0.0025870700000000, -0.0668771900000000 ] - [ -0.0004123000000000, -0.0002672900000000, -0.0004903700000000 ] - [ 0.0000340800000000, 0.0001123700000000, -0.0001913300000000 ] - [ -0.0001185800000000, -0.0000346500000000, 0.0020929900000000 ] - [ -0.0010101000000000, -0.0023767500000000, 0.0189303400000000 ] - [ 0.0000707600000000, 0.0001386200000000, -0.0007226700000000 ] - [ -0.0001491500000000, -0.0000610300000000, 0.0003852400000000 ] - [ -0.0006231000000000, -0.0011632700000000, 0.0018266000000000 ] - [ -0.0000586300000000, -0.0003779800000000, 0.0007369900000000 ] - [ 0.0009126200000000, 0.0010753900000000, 0.0183002600000000 ] - [ 0.0003090500000000, 0.0009791900000000, 0.0018831200000000 ] - [ -0.0001359500000000, 0.0001309400000000, -0.0006318900000000 ] - [ 0.0001515200000000, 0.0003037300000000, 0.0013580100000000 ] - [ 0.0004413900000000, -0.0003356600000000, -0.0009986000000000 ] - [ -0.0000806000000000, -0.0000271900000000, 0.0003622400000000 ] - [ -0.0000885500000000, -0.0005298200000000, -0.0015878100000000 ] - [ 0.0030353300000000, -0.0019731800000000, -0.0006280600000000 ] - [ -0.0036560600000000, 0.0011755400000000, -0.0010502800000000 ] - [ -0.0000766800000000, -0.0001685800000000, 0.0004189500000000 ] - [ 0.0001558600000000, 0.0001495800000000, 0.0005669500000000 ] - [ -0.0000941400000000, -0.0007790000000000, 0.0010843600000000 ] - [ 0.0035191500000000, -0.0008866000000000, -0.0011084100000000 ] - [ 0.0002064500000000, 0.0002354900000000, 0.0005285800000000 ] - [ 0.0000407200000000, -0.0003251000000000, -0.0004856200000000 ] - [ -0.0044551300000000, 0.0011586100000000, -0.0008815400000000 ] - [ -0.0000652800000000, -0.0003327900000000, 0.0004708500000000 ] - [ 0.0002825300000000, -0.0000182400000000, -0.0005334100000000 ] - [ 0.0000132100000000, 0.0006626900000000, 0.0011883700000000 ] - [ -0.0004717300000000, -0.0005728500000000, 0.0013190500000000 ] - [ 0.0001621900000000, 0.0000286200000000, 0.0005948500000000 ] - [ 0.0000997100000000, -0.0002138200000000, -0.0002690400000000 ] - [ -0.0040972000000000, 0.0024752400000000, -0.0011451000000000 ] - [ -0.0031355300000000, 0.0021151400000000, -0.0011281100000000 ] - [ -0.0004780100000000, -0.0003579300000000, 0.0010832000000000 ] - [ -0.0001561900000000, -0.0002207400000000, -0.0003496600000000 ] - [ 0.0000432400000000, 0.0002130400000000, 0.0004554900000000 ] - [ 0.0001677900000000, 0.0006062200000000, 0.0013322400000000 ] - [ -0.0000312900000000, 0.0004712000000000, 0.0012781400000000 ] - [ 0.0000468000000000, 0.0002478500000000, -0.0005674300000000 ] - [ 0.0000443900000000, -0.0000181500000000, -0.0005752600000000 ] - [ 0.0038701200000000, -0.0019639700000000, -0.0009522400000000 ] - [ -0.0001727100000000, -0.0001688900000000, 0.0003890100000000 ] - [ 0.0011159400000000, 0.0027438300000000, -0.0010372200000000 ] - [ 0.0004320000000000, 0.0003505600000000, 0.0012833900000000 ] - [ 0.0001342300000000, -0.0005912600000000, 0.0013294500000000 ] - [ -0.0002920000000000, 0.0001068000000000, 0.0002702300000000 ] - [ -0.0013787700000000, -0.0029878200000000, -0.0003783600000000 ] - [ 0.0047746500000000, -0.0009503700000000, -0.0012040500000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000145000000000, 0.0000226200000000, 0.0009259200000000 ] - [ 0.0011883100000000, -0.0000257800000000, -0.0003180500000000 ] - [ 0.0000801400000000, 0.0000486600000000, 0.0000161400000000 ] - [ 0.0002349400000000, -0.0001912900000000, -0.0012349500000000 ] - [ 0.0018971200000000, -0.0011392600000000, 0.0023764700000000 ] - [ -0.0000437500000000, -0.0001766200000000, -0.0004740700000000 ] - [ 0.0000907600000000, -0.0000399200000000, 0.0003451400000000 ] - [ 0.0000531000000000, -0.0008615600000000, 0.0006141600000000 ] - [ 0.0000545700000000, 0.0000475800000000, 0.0008495100000000 ] - [ 0.0000338900000000, 0.0002809100000000, 0.0000393500000000 ] - [ -0.0000922700000000, -0.0002328400000000, 0.0002364300000000 ] - [ -0.0001329200000000, -0.0001214500000000, -0.0013838000000000 ] - [ -0.0002630000000000, 0.0000610900000000, -0.0006305400000000 ] - [ -0.0019795400000000, 0.0001508600000000, 0.0020887400000000 ] - [ -0.0003971900000000, -0.0006656400000000, 0.0006967700000000 ] - [ 0.0001618300000000, -0.0001051600000000, 0.0003788800000000 ] - [ -0.0000406100000000, 0.0001703700000000, -0.0052340700000000 ] - [ -0.0010717900000000, -0.0003012400000000, 0.0000653600000000 ] - [ -0.0000608000000000, -0.0000745500000000, -0.0000050000000000 ] - [ -0.0000510300000000, 0.0000352000000000, 0.0006850300000000 ] - [ 0.0001545100000000, 0.0000690500000000, 0.0005323300000000 ] - [ -0.0015221000000000, 0.0008526900000000, 0.0022095400000000 ] - [ -0.0001573500000000, 0.0009742000000000, 0.0007409700000000 ] - [ -0.0000610800000000, -0.0000431300000000, -0.0003725400000000 ] - [ 0.0002626100000000, -0.0002281500000000, 0.0002371600000000 ] - [ -0.0022092700000000, 0.0010811400000000, -0.0052757400000000 ] - [ -0.0000655500000000, 0.0001101700000000, 0.0007727700000000 ] - [ 0.0000730300000000, 0.0000905600000000, 0.0001333100000000 ] - [ -0.0000523200000000, 0.0001221000000000, 0.0006056900000000 ] - [ 0.0004888100000000, 0.0007483700000000, -0.0010021500000000 ] - [ 0.0001250100000000, 0.0002576900000000, 0.0006042100000000 ] - [ 0.0000906000000000, -0.0002578600000000, -0.0002508100000000 ] - [ 0.0003377600000000, -0.0011187700000000, 0.0004889000000000 ] - [ -0.0002107700000000, -0.0000691200000000, -0.0011408100000000 ] - [ 0.0001200100000000, 0.0000077500000000, 0.0003530800000000 ] - [ 0.0000391800000000, 0.0001477100000000, -0.0006462500000000 ] - [ -0.0000867500000000, -0.0000642900000000, 0.0003768600000000 ] - [ 0.0022385500000000, -0.0007602300000000, 0.0025572100000000 ] - [ 0.0004394000000000, 0.0009224100000000, 0.0009499900000000 ] - [ -0.0003007300000000, -0.0001440500000000, -0.0008395700000000 ] - [ 0.0042946900000000, 0.0105263900000000, -0.0100949500000000 ] - [ -0.0002167800000000, -0.0003054200000000, 0.0005357000000000 ] - [ 0.0003652300000000, 0.0000401000000000, -0.0002324000000000 ] - [ 0.0002558700000000, 0.0005239900000000, 0.0008840700000000 ] - [ -0.0000792700000000, -0.0000400800000000, -0.0009568700000000 ] - [ 0.0006748600000000, 0.0029039600000000, -0.0063147800000000 ] - [ -0.0000368500000000, -0.0002031000000000, 0.0008431900000000 ] - [ 0.0000650700000000, -0.0000201800000000, 0.0000507500000000 ] - [ 0.0001725500000000, -0.0004445900000000, 0.0001731600000000 ] - [ 0.0000366900000000, 0.0000629900000000, 0.0006702900000000 ] - [ -0.0003600300000000, -0.0000681100000000, 0.0003467500000000 ] - [ 0.0001215800000000, -0.0001602000000000, -0.0001886900000000 ] - [ -0.0005784000000000, 0.0018743200000000, 0.0005455000000000 ] - [ 0.0001975300000000, 0.0004551200000000, 0.0004255500000000 ] - [ 0.0002425400000000, -0.0000760000000000, 0.0000888600000000 ] - [ -0.0001887800000000, 0.0002700400000000, 0.0008121400000000 ] - [ -0.0048954800000000, -0.0128144500000000, -0.0124713100000000 ] - [ -0.0001965800000000, 0.0000809300000000, -0.0005623800000000 ] - [ 0.0000749600000000, -0.0001001700000000, 0.0000272500000000 ] - [ -0.0000772500000000, -0.0003074000000000, 0.0010553300000000 ] - [ 0.0000309000000000, 0.0002364800000000, -0.0005604800000000 ] - [ 0.0003194500000000, -0.0004647900000000, -0.0001746500000000 ] - [ 0.0003930200000000, -0.0009523400000000, -0.0016023800000000 ] - [ -0.0000796900000000, -0.0001557900000000, 0.0005462300000000 ] - [ -0.0001815300000000, 0.0003185800000000, 0.0007152800000000 ] - [ 0.0006368800000000, -0.0000731500000000, -0.0000118800000000 ] - [ 0.0000116400000000, 0.0000284000000000, 0.0001154100000000 ] - [ -0.0001837700000000, 0.0004263700000000, 0.0009756400000000 ] - [ -0.0002228100000000, 0.0003486200000000, -0.0002996700000000 ] - [ 0.0000145100000000, -0.0002343800000000, 0.0002878400000000 ] - [ -0.0002784600000000, 0.0000906800000000, 0.0000127400000000 ] - [ 0.0002864000000000, -0.0006759000000000, -0.0013855400000000 ] - [ -0.0000017000000000, 0.0001247100000000, 0.0007514900000000 ] - [ -0.0003437600000000, -0.0001221800000000, 0.0001972900000000 ] - [ -0.0002564800000000, 0.0003567300000000, 0.0000648700000000 ] - [ -0.0002624100000000, -0.0000331600000000, -0.0004456000000000 ] - [ -0.0000466800000000, 0.0001516500000000, 0.0009876600000000 ] - [ -0.0001903900000000, -0.0001073100000000, -0.0008742700000000 ] - [ -0.0000276000000000, 0.0000731500000000, 0.0006592900000000 ] - [ 0.0000031300000000, -0.0002053700000000, -0.0007920400000000 ] - [ 0.0001305100000000, -0.0029484400000000, 0.0671078400000000 ] - [ 0.0005523900000000, 0.0000866400000000, 0.0000687300000000 ] - [ -0.0001740000000000, 0.0000685700000000, -0.0002299100000000 ] - [ -0.0000213700000000, -0.0001453900000000, -0.0016730300000000 ] - [ 0.0013379700000000, 0.0022166400000000, -0.0183953900000000 ] - [ 0.0002548200000000, 0.0000162400000000, 0.0004155000000000 ] - [ -0.0001819100000000, -0.0000954400000000, -0.0006945100000000 ] - [ 0.0002910100000000, 0.0013156600000000, -0.0015126100000000 ] - [ 0.0001157200000000, 0.0001137200000000, -0.0008997300000000 ] - [ -0.0008554200000000, -0.0007926200000000, -0.0183820400000000 ] - [ -0.0003684400000000, -0.0012475100000000, -0.0017263700000000 ] - [ 0.0000791000000000, 0.0001330400000000, 0.0004685400000000 ] - [ -0.0001641500000000, -0.0002739900000000, -0.0013753900000000 ] - [ -0.0004550000000000, 0.0003049300000000, 0.0010209700000000 ] - [ 0.0000936900000000, 0.0000567000000000, -0.0003442400000000 ] - [ 0.0001043400000000, 0.0005050800000000, 0.0015687100000000 ] - [ -0.0030099300000000, 0.0018816200000000, 0.0007646500000000 ] - [ 0.0036711400000000, -0.0010865000000000, 0.0009071800000000 ] - [ 0.0000564700000000, 0.0000807000000000, -0.0005584700000000 ] - [ -0.0001750900000000, -0.0000605100000000, -0.0004270300000000 ] - [ -0.0000271100000000, 0.0006716100000000, -0.0010436100000000 ] - [ -0.0036501100000000, 0.0009956800000000, 0.0010742400000000 ] - [ -0.0000856700000000, -0.0003406400000000, -0.0005685500000000 ] - [ 0.0000804900000000, 0.0004309100000000, 0.0005240100000000 ] - [ 0.0042439200000000, -0.0010361400000000, 0.0010289900000000 ] - [ -0.0001519600000000, 0.0002107700000000, -0.0006145100000000 ] - [ -0.0000649300000000, 0.0001393000000000, 0.0003897000000000 ] - [ 0.0002049200000000, -0.0007812800000000, -0.0010446200000000 ] - [ 0.0003834500000000, 0.0005318100000000, -0.0013155100000000 ] - [ -0.0002507500000000, 0.0000151700000000, -0.0005996900000000 ] - [ -0.0000096300000000, 0.0001697700000000, 0.0002634400000000 ] - [ 0.0041857300000000, -0.0024278600000000, 0.0011489700000000 ] - [ 0.0031077400000000, -0.0021007800000000, 0.0010060600000000 ] - [ 0.0004404800000000, 0.0003369900000000, -0.0009540000000000 ] - [ 0.0001932100000000, 0.0002408200000000, 0.0004777400000000 ] - [ -0.0000063400000000, -0.0002327300000000, -0.0005846100000000 ] - [ -0.0002760600000000, -0.0003622900000000, -0.0012950800000000 ] - [ -0.0000770800000000, -0.0007213800000000, -0.0013182300000000 ] - [ 0.0000610500000000, -0.0000016800000000, 0.0005305800000000 ] - [ 0.0000644800000000, -0.0002277500000000, 0.0006148300000000 ] - [ -0.0039646600000000, 0.0021357200000000, 0.0008966100000000 ] - [ 0.0000813500000000, 0.0000003700000000, -0.0003307500000000 ] - [ -0.0010293800000000, -0.0025881200000000, 0.0010930600000000 ] - [ -0.0003402500000000, -0.0005173800000000, -0.0013412600000000 ] - [ -0.0000910800000000, 0.0006120600000000, -0.0011492300000000 ] - [ 0.0003325100000000, -0.0001239700000000, -0.0004519900000000 ] - [ 0.0013339600000000, 0.0029984600000000, 0.0002015600000000 ] - [ -0.0048136900000000, 0.0009340900000000, 0.0013824900000000 ]- atom: 85 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0005574400000000, 0.0000931300000000, -0.0009484000000000 ] - [ -0.0002073200000000, 0.0000287600000000, 0.0000089600000000 ] - [ -0.0000637400000000, 0.0001494000000000, -0.0000277700000000 ] - [ 0.0004445900000000, -0.0005960500000000, 0.0002389900000000 ] - [ 0.0569449000000000, -0.0167360300000000, 0.0206829600000000 ] - [ -0.0000540500000000, -0.0000839700000000, -0.0000097300000000 ] - [ -0.0000405800000000, -0.0000088600000000, 0.0000207700000000 ] - [ 0.0000700100000000, -0.0000358800000000, 0.0000038400000000 ] - [ 0.0003349500000000, -0.0001648800000000, 0.0009262100000000 ] - [ 0.0000660200000000, 0.0000624500000000, -0.0000069300000000 ] - [ -0.0000305200000000, 0.0000634200000000, 0.0000037200000000 ] - [ 0.0001316100000000, -0.0002764900000000, 0.0000335500000000 ] - [ -0.0004403100000000, 0.0003562100000000, 0.0003003200000000 ] - [ 0.0541281000000000, -0.0234095200000000, -0.0182409900000000 ] - [ 0.0001483500000000, -0.0000040800000000, -0.0000131300000000 ] - [ 0.0001508300000000, -0.0000436400000000, 0.0000760900000000 ] - [ 0.0006175900000000, 0.0009371800000000, 0.0014527100000000 ] - [ -0.0009352500000000, -0.0005588200000000, 0.0000359500000000 ] - [ 0.0000066700000000, -0.0000093800000000, 0.0000016200000000 ] - [ 0.0004357100000000, -0.0000133500000000, 0.0000634800000000 ] - [ -0.0001956300000000, -0.0000696900000000, -0.0001189300000000 ] - [ 0.0001489700000000, 0.0001496400000000, 0.0001480400000000 ] - [ 0.0004654400000000, 0.0004670700000000, -0.0000244400000000 ] - [ -0.0001148000000000, -0.0000279600000000, -0.0000725900000000 ] - [ -0.0003855900000000, 0.0009042600000000, 0.0000917800000000 ] - [ 0.0007340700000000, 0.0007718900000000, -0.0007902000000000 ] - [ 0.0000786900000000, -0.0003370200000000, -0.0003423200000000 ] - [ -0.0000779200000000, -0.0000511900000000, 0.0000074700000000 ] - [ -0.0007957400000000, 0.0008055500000000, -0.0003701500000000 ] - [ 0.0003247400000000, 0.0001001500000000, -0.0001822400000000 ] - [ 0.0001028600000000, 0.0000635500000000, -0.0000176100000000 ] - [ 0.0000134100000000, -0.0002048400000000, -0.0000115600000000 ] - [ 0.0002082600000000, 0.0007043200000000, 0.0006899200000000 ] - [ -0.0006876300000000, 0.0002380500000000, -0.0000562700000000 ] - [ -0.0001397800000000, -0.0000057500000000, 0.0001563800000000 ] - [ 0.0001029200000000, -0.0000118200000000, -0.0003439000000000 ] - [ -0.0000910900000000, 0.0002821500000000, -0.0004060200000000 ] - [ 0.0002798200000000, 0.0000590500000000, 0.0002617400000000 ] - [ -0.0003860100000000, -0.0011440400000000, 0.0000377300000000 ] - [ -0.0001820400000000, -0.0000781400000000, -0.0002098200000000 ] - [ 0.0003097700000000, 0.0003482000000000, 0.0005198200000000 ] - [ -0.0004659400000000, 0.0000225200000000, 0.0001358900000000 ] - [ 0.0001220600000000, -0.0000196000000000, 0.0000083900000000 ] - [ 0.0003738900000000, -0.0005859000000000, -0.0004653300000000 ] - [ -0.0005463200000000, 0.0003862100000000, -0.0000281000000000 ] - [ 0.0103389000000000, 0.0101644500000000, 0.0078696800000000 ] - [ 0.0000882400000000, -0.0001325100000000, 0.0001314100000000 ] - [ -0.0000133700000000, 0.0000318300000000, -0.0002147300000000 ] - [ 0.0001969200000000, 0.0000544300000000, 0.0001475300000000 ] - [ -0.0000845400000000, 0.0000081400000000, 0.0002316100000000 ] - [ -0.0007713300000000, 0.0002680400000000, -0.0000192600000000 ] - [ -0.0000314600000000, 0.0001678200000000, -0.0001549400000000 ] - [ 0.0003638200000000, 0.0022086000000000, 0.0017077900000000 ] - [ -0.0011169000000000, 0.0002438000000000, -0.0001259500000000 ] - [ -0.0001072900000000, -0.0000730600000000, 0.0000224800000000 ] - [ 0.0000737400000000, -0.0000017600000000, -0.0000813800000000 ] - [ 0.0109909800000000, 0.0120563700000000, -0.0076907300000000 ] - [ -0.0003307700000000, 0.0001606000000000, -0.0003118700000000 ] - [ 0.0000389700000000, -0.0000908000000000, -0.0001914900000000 ] - [ 0.0000629400000000, 0.0000487900000000, 0.0001299000000000 ] - [ -0.0003060300000000, 0.0001339300000000, -0.0000036000000000 ] - [ 0.0002451900000000, 0.0000233700000000, -0.0000943900000000 ] - [ -0.0000403000000000, 0.0000862700000000, -0.0000211100000000 ] - [ -0.0005513000000000, 0.0001452500000000, 0.0001078800000000 ] - [ 0.0003201600000000, -0.0000224500000000, -0.0006345700000000 ] - [ -0.0000040300000000, 0.0002043400000000, 0.0002946300000000 ] - [ -0.0001699300000000, 0.0000545500000000, 0.0001174300000000 ] - [ 0.0000378700000000, -0.0000553800000000, -0.0001343700000000 ] - [ 0.0000095800000000, 0.0001475100000000, -0.0002031100000000 ] - [ -0.0000549400000000, 0.0000088800000000, 0.0000933000000000 ] - [ -0.0006300100000000, 0.0001766600000000, 0.0000155500000000 ] - [ 0.0003257800000000, -0.0012134600000000, -0.0011592300000000 ] - [ 0.0003267900000000, -0.0001749400000000, 0.0001689700000000 ] - [ 0.0000978400000000, -0.0000531800000000, 0.0000047600000000 ] - [ -0.0001922400000000, 0.0002660900000000, 0.0000987700000000 ] - [ -0.0000565100000000, -0.0003467400000000, 0.0001381200000000 ] - [ 0.0014249800000000, 0.0003169500000000, 0.0011383100000000 ] - [ -0.0000266900000000, -0.0000624500000000, 0.0003058100000000 ] - [ -0.0001476400000000, 0.0003898100000000, 0.0002435100000000 ] - [ 0.0000687100000000, -0.0002099300000000, -0.0002473000000000 ] - [ -0.0040187700000000, -0.0060070300000000, -0.0009409300000000 ] - [ 0.0015266500000000, -0.0003090700000000, -0.0001179900000000 ] - [ -0.0000147200000000, 0.0000771000000000, -0.0001940700000000 ] - [ -0.0000081000000000, 0.0003331600000000, 0.0006683600000000 ] - [ -0.1397577200000000, 0.0237563600000000, -0.0036018100000000 ] - [ 0.0002590500000000, -0.0002767900000000, -0.0003968700000000 ] - [ -0.0001157600000000, -0.0001331000000000, -0.0002335000000000 ] - [ -0.0001608900000000, 0.0001814400000000, 0.0001524800000000 ] - [ 0.0002283300000000, -0.0006156700000000, 0.0002603700000000 ] - [ -0.0005047000000000, -0.0005658900000000, -0.0001013000000000 ] - [ -0.0008751100000000, 0.0007418600000000, 0.0002096000000000 ] - [ 0.0000132400000000, 0.0001231600000000, -0.0000164300000000 ] - [ -0.0015030100000000, -0.0007254600000000, -0.0009872300000000 ] - [ 0.0000016200000000, -0.0001141600000000, -0.0000575600000000 ] - [ 0.0000698000000000, -0.0002651200000000, 0.0000189100000000 ] - [ 0.0002233200000000, 0.0005207500000000, -0.0001237100000000 ] - [ -0.0005055600000000, -0.0044556300000000, -0.0038209400000000 ] - [ 0.0044472800000000, 0.0021637500000000, 0.0032661600000000 ] - [ 0.0000734000000000, -0.0000226800000000, -0.0000687600000000 ] - [ 0.0000410800000000, 0.0000830900000000, 0.0000945300000000 ] - [ -0.0010420300000000, -0.0030984600000000, 0.0029787300000000 ] - [ 0.0001227900000000, 0.0001246500000000, -0.0000015100000000 ] - [ 0.0004316800000000, -0.0000538700000000, -0.0000553900000000 ] - [ 0.0002521700000000, 0.0003734800000000, 0.0000156100000000 ] - [ 0.0002326200000000, 0.0001945100000000, -0.0000965300000000 ] - [ 0.0000449800000000, 0.0002359000000000, -0.0001130200000000 ] - [ -0.0001915900000000, 0.0000200600000000, -0.0000628600000000 ] - [ -0.0000889000000000, -0.0030715200000000, -0.0023017500000000 ] - [ 0.0001526200000000, 0.0000474100000000, 0.0001353400000000 ] - [ 0.0000463600000000, 0.0000122300000000, 0.0000276100000000 ] - [ -0.0000443700000000, -0.0003326200000000, -0.0001803900000000 ] - [ -0.0014827700000000, -0.0024900100000000, 0.0034557600000000 ] - [ -0.0003450600000000, -0.0004271700000000, -0.0001701000000000 ] - [ 0.0025376900000000, 0.0018081700000000, -0.0020098300000000 ] - [ 0.0000856600000000, 0.0000464500000000, 0.0000913100000000 ] - [ -0.0000564100000000, -0.0000987500000000, -0.0001364200000000 ] - [ 0.0001478900000000, 0.0002343100000000, -0.0000993900000000 ] - [ -0.0002166200000000, -0.0003252600000000, 0.0001454100000000 ] - [ 0.0000642700000000, 0.0000979600000000, 0.0000341700000000 ] - [ 0.0003707700000000, -0.0000506500000000, -0.0000344800000000 ] - [ -0.0003119700000000, 0.0000466700000000, -0.0000229000000000 ] - [ -0.0000152200000000, -0.0003295800000000, 0.0001692500000000 ] - [ 0.0002455900000000, -0.0000206800000000, 0.0000496100000000 ] - [ 0.0029242700000000, 0.0025884200000000, 0.0029986100000000 ] - [ 0.0000033300000000, -0.0001510800000000, -0.0000846100000000 ] - [ -0.0000431000000000, -0.0000868800000000, 0.0000034400000000 ] - [ 0.0002993800000000, 0.0003781900000000, -0.0001076900000000 ] - [ 0.0046191100000000, 0.0023919600000000, -0.0035365900000000 ]- atom: 85 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0008009300000000, -0.0000877100000000, 0.0009928700000000 ] - [ -0.0000367400000000, -0.0000348000000000, -0.0000629000000000 ] - [ 0.0003077000000000, -0.0001442200000000, -0.0000258400000000 ] - [ -0.0002047200000000, 0.0005894800000000, -0.0001846600000000 ] - [ -0.0547944300000000, 0.0158448200000000, -0.0197060600000000 ] - [ -0.0000009200000000, 0.0001522200000000, 0.0000420500000000 ] - [ 0.0000950900000000, -0.0000577000000000, 0.0000074300000000 ] - [ -0.0000154400000000, 0.0001015300000000, -0.0000333300000000 ] - [ -0.0002203000000000, 0.0001421900000000, -0.0009678300000000 ] - [ 0.0000493000000000, -0.0000375600000000, 0.0000412300000000 ] - [ -0.0000848400000000, -0.0000895200000000, 0.0000318400000000 ] - [ -0.0002431000000000, 0.0003004200000000, -0.0000690900000000 ] - [ 0.0001438900000000, -0.0002079300000000, -0.0002328500000000 ] - [ -0.0563113900000000, 0.0243614600000000, 0.0190288000000000 ] - [ 0.0001448400000000, 0.0001512800000000, -0.0000534400000000 ] - [ 0.0001426900000000, -0.0001054400000000, -0.0000100900000000 ] - [ -0.0006066700000000, -0.0009551900000000, -0.0014863300000000 ] - [ 0.0009475200000000, 0.0005783000000000, 0.0000062700000000 ] - [ -0.0000119300000000, -0.0000033000000000, 0.0000413500000000 ] - [ -0.0004417300000000, 0.0000237700000000, -0.0001096400000000 ] - [ 0.0003652600000000, 0.0001562700000000, -0.0000446400000000 ] - [ 0.0000210900000000, -0.0002381700000000, 0.0000150500000000 ] - [ -0.0006370400000000, -0.0003834800000000, 0.0001890900000000 ] - [ -0.0000536600000000, -0.0000604900000000, -0.0000918100000000 ] - [ 0.0004396300000000, -0.0007886200000000, -0.0000386600000000 ] - [ -0.0006817700000000, -0.0008813500000000, 0.0007425700000000 ] - [ -0.0001360200000000, 0.0004500300000000, 0.0002874200000000 ] - [ 0.0000200700000000, -0.0000634500000000, 0.0000458400000000 ] - [ 0.0007506400000000, -0.0004002900000000, 0.0003831000000000 ] - [ -0.0003705300000000, -0.0005104900000000, 0.0001710800000000 ] - [ -0.0000569800000000, 0.0003465100000000, 0.0000074100000000 ] - [ 0.0000328100000000, -0.0002071800000000, 0.0000202900000000 ] - [ -0.0003628800000000, -0.0007191700000000, -0.0005155500000000 ] - [ 0.0005298400000000, -0.0002195000000000, -0.0001158000000000 ] - [ 0.0002976900000000, -0.0000146600000000, -0.0003328200000000 ] - [ 0.0000538200000000, 0.0000316800000000, 0.0005156600000000 ] - [ 0.0003730500000000, -0.0001667000000000, 0.0000727400000000 ] - [ 0.0000021300000000, -0.0001741900000000, 0.0000682600000000 ] - [ 0.0000983600000000, 0.0012520000000000, 0.0002936700000000 ] - [ -0.0001025000000000, -0.0000381600000000, -0.0001224600000000 ] - [ -0.0005860200000000, -0.0004392000000000, -0.0005265200000000 ] - [ 0.0001914300000000, 0.0000663400000000, -0.0001342200000000 ] - [ 0.0001526000000000, -0.0000692600000000, -0.0000043600000000 ] - [ -0.0001010700000000, 0.0006702400000000, 0.0004570700000000 ] - [ 0.0005288700000000, -0.0004619800000000, -0.0003754100000000 ] - [ -0.0102778200000000, -0.0101359800000000, -0.0075089800000000 ] - [ -0.0000748700000000, 0.0000536600000000, 0.0002714600000000 ] - [ 0.0000269500000000, 0.0000459700000000, -0.0001894300000000 ] - [ -0.0003213200000000, -0.0000036700000000, -0.0004632200000000 ] - [ -0.0000408300000000, -0.0000577800000000, 0.0000812100000000 ] - [ 0.0008951300000000, -0.0002258200000000, 0.0003370200000000 ] - [ 0.0001550800000000, -0.0002158700000000, -0.0001600000000000 ] - [ -0.0002224800000000, -0.0023040500000000, -0.0017206600000000 ] - [ 0.0012774500000000, -0.0001189600000000, 0.0001583400000000 ] - [ -0.0000502800000000, -0.0000459300000000, 0.0000061500000000 ] - [ -0.0002309000000000, 0.0001193900000000, 0.0000520600000000 ] - [ -0.0111774100000000, -0.0122380400000000, 0.0079893400000000 ] - [ 0.0002183200000000, 0.0000548600000000, -0.0000292500000000 ] - [ 0.0000730100000000, -0.0001241700000000, -0.0001526800000000 ] - [ 0.0000487400000000, 0.0001651700000000, 0.0002126900000000 ] - [ 0.0005098000000000, -0.0000162900000000, 0.0002303200000000 ] - [ -0.0000422500000000, -0.0001412800000000, -0.0001310600000000 ] - [ -0.0001628300000000, 0.0000325400000000, -0.0002046200000000 ] - [ 0.0003481800000000, -0.0002638700000000, 0.0001148000000000 ] - [ -0.0002581600000000, -0.0001308900000000, 0.0002243800000000 ] - [ 0.0000659400000000, -0.0000516400000000, 0.0001164900000000 ] - [ 0.0001081200000000, -0.0002083000000000, 0.0002911200000000 ] - [ -0.0000991700000000, 0.0002070300000000, -0.0002744800000000 ] - [ -0.0000768100000000, -0.0001836300000000, -0.0000213200000000 ] - [ -0.0000126400000000, 0.0000276200000000, 0.0001300900000000 ] - [ 0.0006827100000000, -0.0002065400000000, 0.0002108500000000 ] - [ -0.0002488100000000, 0.0012365800000000, 0.0009259900000000 ] - [ -0.0000029400000000, 0.0002624300000000, -0.0002202000000000 ] - [ 0.0002248100000000, -0.0000335700000000, 0.0000473000000000 ] - [ -0.0001290200000000, -0.0001789200000000, -0.0000477900000000 ] - [ -0.0002642200000000, 0.0002577600000000, -0.0001899700000000 ] - [ -0.0014832400000000, -0.0001813200000000, -0.0016746300000000 ] - [ -0.0000290500000000, -0.0000735300000000, 0.0002315800000000 ] - [ 0.0002035500000000, -0.0002561700000000, 0.0002958100000000 ] - [ -0.0000137700000000, 0.0000734300000000, -0.0002926200000000 ] - [ 0.0041579500000000, 0.0061913200000000, 0.0014063000000000 ] - [ -0.0013929700000000, 0.0001276100000000, -0.0003009300000000 ] - [ -0.0001254500000000, 0.0001035300000000, -0.0002259100000000 ] - [ -0.0001304900000000, -0.0005125300000000, -0.0002461000000000 ] - [ 0.1398316000000000, -0.0241500800000000, 0.0021715500000000 ] - [ 0.0000710600000000, 0.0004340400000000, 0.0000808900000000 ] - [ -0.0002147300000000, -0.0000241300000000, -0.0000775300000000 ] - [ -0.0001688300000000, -0.0000238100000000, 0.0001596100000000 ] - [ -0.0001692100000000, 0.0003580900000000, -0.0004212200000000 ] - [ 0.0005609600000000, 0.0008283100000000, 0.0002603200000000 ] - [ 0.0008171500000000, -0.0010033200000000, -0.0000521100000000 ] - [ -0.0000690800000000, 0.0001400100000000, -0.0001429800000000 ] - [ 0.0014830400000000, 0.0007496700000000, 0.0009688300000000 ] - [ -0.0000158600000000, 0.0000838700000000, 0.0000754100000000 ] - [ -0.0000563400000000, 0.0002947900000000, -0.0000011400000000 ] - [ -0.0002104600000000, -0.0005545800000000, 0.0001088500000000 ] - [ 0.0005231600000000, 0.0043459800000000, 0.0039490900000000 ] - [ -0.0044816600000000, -0.0020938300000000, -0.0034364000000000 ] - [ -0.0000933300000000, -0.0000653000000000, -0.0000708400000000 ] - [ -0.0000608600000000, 0.0000054200000000, 0.0000458300000000 ] - [ 0.0009273100000000, 0.0029837800000000, -0.0029325500000000 ] - [ -0.0002437000000000, -0.0000207200000000, -0.0000379600000000 ] - [ -0.0003101500000000, -0.0000523800000000, 0.0000163400000000 ] - [ -0.0001299000000000, -0.0002670600000000, 0.0000248600000000 ] - [ -0.0004505500000000, -0.0000723300000000, 0.0002396100000000 ] - [ -0.0002628700000000, -0.0003573000000000, -0.0000288400000000 ] - [ 0.0004066200000000, 0.0001016600000000, -0.0000804600000000 ] - [ 0.0002970200000000, 0.0029585900000000, 0.0024503300000000 ] - [ -0.0002415700000000, -0.0000929600000000, -0.0001289900000000 ] - [ -0.0001362900000000, 0.0000336600000000, -0.0000329200000000 ] - [ 0.0001327400000000, 0.0002859500000000, 0.0001733100000000 ] - [ 0.0015786600000000, 0.0025468600000000, -0.0034618900000000 ] - [ 0.0003069000000000, 0.0004439600000000, 0.0000406300000000 ] - [ -0.0025882800000000, -0.0018286600000000, 0.0021462200000000 ] - [ -0.0000492600000000, -0.0000270700000000, 0.0000377100000000 ] - [ 0.0000932700000000, 0.0000801800000000, 0.0000067300000000 ] - [ -0.0002567500000000, 0.0000096100000000, 0.0001380000000000 ] - [ 0.0001078900000000, 0.0000776300000000, -0.0001817700000000 ] - [ 0.0000440400000000, 0.0001476800000000, -0.0000744700000000 ] - [ -0.0002632500000000, -0.0001941200000000, 0.0000707100000000 ] - [ 0.0002212200000000, 0.0001243600000000, -0.0000359900000000 ] - [ -0.0000760800000000, 0.0001586200000000, -0.0001111100000000 ] - [ -0.0001525600000000, 0.0001913700000000, 0.0000098000000000 ] - [ -0.0028148600000000, -0.0027601500000000, -0.0030536500000000 ] - [ 0.0000376000000000, 0.0001695800000000, 0.0002673800000000 ] - [ 0.0000837700000000, 0.0000691100000000, -0.0001849300000000 ] - [ -0.0003369900000000, -0.0003549500000000, -0.0000820600000000 ] - [ -0.0046253000000000, -0.0023890100000000, 0.0036915600000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002659900000000, 0.0003755400000000, 0.0005703100000000 ] - [ -0.0003238800000000, 0.0001290500000000, 0.0000268200000000 ] - [ 0.0002483900000000, -0.0002879700000000, -0.0000682700000000 ] - [ -0.0001215400000000, -0.0008104000000000, 0.0004589400000000 ] - [ -0.0178916100000000, 0.0118192500000000, -0.0058724800000000 ] - [ -0.0006995700000000, 0.0001751100000000, 0.0003943200000000 ] - [ 0.0000406100000000, -0.0001783700000000, -0.0000114000000000 ] - [ 0.0000340700000000, -0.0001081100000000, 0.0000746100000000 ] - [ -0.0002653200000000, 0.0008336600000000, -0.0002424600000000 ] - [ 0.0001196200000000, 0.0000741900000000, 0.0000186300000000 ] - [ -0.0001511600000000, -0.0005106300000000, 0.0000132300000000 ] - [ -0.0006065700000000, -0.0008462000000000, 0.0005326800000000 ] - [ -0.0001416900000000, 0.0000430100000000, -0.0001381800000000 ] - [ -0.0220851400000000, 0.0158317100000000, 0.0096404100000000 ] - [ 0.0000932800000000, 0.0000134600000000, 0.0000929000000000 ] - [ 0.0001334800000000, -0.0002773600000000, 0.0000707000000000 ] - [ 0.0007409700000000, 0.0030842200000000, 0.0000115100000000 ] - [ -0.0003882600000000, 0.0002914000000000, 0.0001771900000000 ] - [ 0.0000060900000000, -0.0001818500000000, 0.0000280100000000 ] - [ 0.0000528700000000, -0.0002916200000000, -0.0003513600000000 ] - [ -0.0001502900000000, 0.0002454500000000, -0.0001204100000000 ] - [ 0.0002104200000000, 0.0005755200000000, 0.0002685500000000 ] - [ -0.0003216200000000, -0.0009856900000000, -0.0003071200000000 ] - [ -0.0000895800000000, -0.0002652400000000, -0.0000612500000000 ] - [ 0.0002010400000000, 0.0000601300000000, 0.0001957000000000 ] - [ 0.0010661000000000, 0.0027152800000000, 0.0008298400000000 ] - [ -0.0003998100000000, 0.0001652300000000, -0.0001518500000000 ] - [ -0.0000317300000000, -0.0002055700000000, 0.0000261500000000 ] - [ 0.0000009900000000, 0.0003927800000000, 0.0000734800000000 ] - [ 0.0003655000000000, 0.0009759200000000, -0.0006074300000000 ] - [ -0.0002278200000000, -0.0002465700000000, -0.0000956800000000 ] - [ 0.0000326900000000, -0.0004308600000000, 0.0000699600000000 ] - [ -0.0000886000000000, -0.0003316900000000, 0.0000910300000000 ] - [ 0.0000613200000000, 0.0000019400000000, 0.0000635300000000 ] - [ 0.0000775300000000, 0.0000383300000000, -0.0003009400000000 ] - [ 0.0000771700000000, -0.0000704700000000, -0.0001950500000000 ] - [ 0.0001716600000000, -0.0000195500000000, -0.0001004200000000 ] - [ 0.0003458700000000, 0.0004046100000000, 0.0003468100000000 ] - [ -0.0004267500000000, -0.0001992100000000, -0.0002484000000000 ] - [ -0.0001938100000000, -0.0003264000000000, -0.0002535800000000 ] - [ 0.0003389000000000, 0.0012680200000000, 0.0012231600000000 ] - [ -0.0002017500000000, -0.0000875100000000, 0.0001061700000000 ] - [ 0.0001344000000000, -0.0001953500000000, -0.0000385400000000 ] - [ -0.0003543000000000, -0.0010960900000000, -0.0013213500000000 ] - [ -0.0000940400000000, 0.0004504500000000, -0.0000328900000000 ] - [ 0.0112981500000000, 0.0315103600000000, 0.0193582800000000 ] - [ -0.0001163400000000, -0.0002353100000000, 0.0001703500000000 ] - [ 0.0000029000000000, -0.0001097100000000, -0.0001821000000000 ] - [ -0.0000964800000000, -0.0000118300000000, 0.0005108900000000 ] - [ -0.0001351700000000, -0.0001917700000000, 0.0000564300000000 ] - [ 0.0002851200000000, 0.0001565000000000, -0.0000284000000000 ] - [ -0.0002025000000000, 0.0002722700000000, -0.0006846600000000 ] - [ -0.0005373800000000, 0.0019546800000000, 0.0007077200000000 ] - [ 0.0009314500000000, -0.0000802400000000, -0.0002914400000000 ] - [ -0.0001017200000000, -0.0000376600000000, 0.0000696500000000 ] - [ -0.0000111000000000, -0.0001688100000000, -0.0000020000000000 ] - [ 0.0124439500000000, 0.0374734900000000, -0.0198816200000000 ] - [ -0.0001463500000000, 0.0000624800000000, -0.0001295900000000 ] - [ 0.0000331700000000, -0.0002259400000000, -0.0001499800000000 ] - [ 0.0000142300000000, 0.0000222100000000, 0.0000282900000000 ] - [ 0.0003399400000000, 0.0001792700000000, 0.0003792200000000 ] - [ 0.0001792700000000, -0.0004996500000000, -0.0000956900000000 ] - [ 0.0000348900000000, -0.0001067000000000, -0.0000205200000000 ] - [ 0.0000202000000000, -0.0000980700000000, 0.0000382300000000 ] - [ -0.0002502500000000, 0.0001733600000000, 0.0001394400000000 ] - [ 0.0000794800000000, 0.0000865500000000, 0.0003050500000000 ] - [ -0.0000474400000000, -0.0000905700000000, 0.0002673900000000 ] - [ -0.0000631800000000, 0.0000957000000000, -0.0001572700000000 ] - [ -0.0000953800000000, -0.0000246400000000, -0.0003460100000000 ] - [ 0.0000165700000000, 0.0001420700000000, 0.0001719000000000 ] - [ 0.0005989000000000, 0.0002652900000000, 0.0002800400000000 ] - [ 0.0004022100000000, -0.0010764600000000, -0.0005192100000000 ] - [ 0.0001707500000000, -0.0001611900000000, 0.0006631600000000 ] - [ 0.0001977300000000, 0.0001405100000000, 0.0001405900000000 ] - [ -0.0000182100000000, -0.0004481600000000, -0.0002315900000000 ] - [ -0.0001098400000000, -0.0007681300000000, 0.0001853700000000 ] - [ -0.0003249800000000, 0.0017786300000000, 0.0035852000000000 ] - [ -0.0001074200000000, 0.0002253500000000, 0.0003094300000000 ] - [ 0.0000785600000000, -0.0002445500000000, 0.0002160900000000 ] - [ -0.0000260400000000, -0.0004702100000000, -0.0000479900000000 ] - [ -0.0063157800000000, -0.0174337500000000, -0.0020998100000000 ] - [ 0.0002874200000000, -0.0001902900000000, -0.0001492800000000 ] - [ -0.0000440600000000, 0.0003607500000000, -0.0002249900000000 ] - [ 0.0003948800000000, 0.0010359000000000, 0.0014530500000000 ] - [ 0.0241863000000000, -0.0899138600000000, -0.0051711800000000 ] - [ 0.0005183500000000, -0.0001907400000000, -0.0006777100000000 ] - [ -0.0001079400000000, 0.0001304400000000, -0.0001183800000000 ] - [ -0.0000591400000000, 0.0003036300000000, 0.0000422500000000 ] - [ 0.0001134100000000, -0.0002098400000000, -0.0000116900000000 ] - [ -0.0006341200000000, -0.0020296300000000, -0.0003160000000000 ] - [ 0.0007800600000000, 0.0010630600000000, 0.0007982900000000 ] - [ 0.0000989500000000, 0.0003538500000000, -0.0000173700000000 ] - [ -0.0008397300000000, -0.0028879700000000, -0.0025180900000000 ] - [ 0.0000467000000000, -0.0001417400000000, -0.0000542000000000 ] - [ 0.0001012600000000, 0.0005770800000000, 0.0002362400000000 ] - [ 0.0004331700000000, 0.0013754800000000, -0.0002768700000000 ] - [ -0.0037593400000000, 0.0028092100000000, 0.0010640600000000 ] - [ 0.0016877100000000, -0.0028332300000000, -0.0018788600000000 ] - [ -0.0000020800000000, 0.0000606900000000, -0.0000374600000000 ] - [ 0.0000992500000000, 0.0002827700000000, 0.0001222800000000 ] - [ -0.0012399700000000, 0.0009062500000000, -0.0003918500000000 ] - [ 0.0001969300000000, -0.0004129600000000, -0.0000513300000000 ] - [ 0.0001525600000000, 0.0002174800000000, 0.0002026200000000 ] - [ 0.0001962500000000, 0.0005845000000000, -0.0000517200000000 ] - [ 0.0002423200000000, -0.0003296200000000, -0.0002299700000000 ] - [ 0.0003113400000000, 0.0007635700000000, -0.0000639200000000 ] - [ -0.0001703500000000, 0.0002940700000000, 0.0000646500000000 ] - [ -0.0006442700000000, 0.0014816200000000, 0.0015579100000000 ] - [ -0.0001084700000000, -0.0003277000000000, -0.0001313600000000 ] - [ 0.0001462500000000, 0.0002584200000000, -0.0001324900000000 ] - [ -0.0001156300000000, 0.0002875900000000, -0.0000190700000000 ] - [ -0.0036274500000000, 0.0040257900000000, -0.0017110500000000 ] - [ -0.0004169200000000, -0.0002353400000000, 0.0001214600000000 ] - [ 0.0001496700000000, -0.0021322100000000, 0.0016715100000000 ] - [ 0.0001065000000000, 0.0002232300000000, -0.0001822500000000 ] - [ 0.0001049600000000, 0.0005425000000000, 0.0000550300000000 ] - [ 0.0001496200000000, -0.0001423800000000, -0.0001070000000000 ] - [ -0.0003535000000000, -0.0000910800000000, -0.0002631000000000 ] - [ 0.0002797900000000, 0.0008619200000000, -0.0001044300000000 ] - [ 0.0000640500000000, 0.0002516500000000, -0.0000126200000000 ] - [ -0.0005155300000000, 0.0003311400000000, -0.0003750500000000 ] - [ -0.0001304100000000, 0.0002392800000000, 0.0000200400000000 ] - [ 0.0002918000000000, 0.0002432200000000, 0.0003155600000000 ] - [ -0.0000560000000000, -0.0015206000000000, -0.0005864300000000 ] - [ -0.0000970000000000, -0.0000761200000000, 0.0000781600000000 ] - [ -0.0000984400000000, 0.0001130200000000, -0.0001355100000000 ] - [ 0.0006278000000000, 0.0015252300000000, -0.0003973500000000 ] - [ 0.0032670700000000, -0.0019049100000000, 0.0009950300000000 ]- atom: 85 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005091900000000, -0.0003757700000000, -0.0005208300000000 ] - [ 0.0000851200000000, -0.0001299400000000, -0.0000785200000000 ] - [ -0.0000085400000000, 0.0002896600000000, 0.0000180300000000 ] - [ 0.0003581100000000, 0.0008134900000000, -0.0004113600000000 ] - [ 0.0178928600000000, -0.0117656900000000, 0.0058373100000000 ] - [ 0.0006469100000000, -0.0001030400000000, -0.0003627500000000 ] - [ 0.0000105700000000, 0.0001065100000000, 0.0000388500000000 ] - [ 0.0000171600000000, 0.0001788500000000, -0.0001039800000000 ] - [ 0.0003773700000000, -0.0008648500000000, 0.0002019700000000 ] - [ -0.0000085500000000, -0.0000463400000000, 0.0000180100000000 ] - [ 0.0000418600000000, 0.0004837400000000, 0.0000264500000000 ] - [ 0.0005024200000000, 0.0008759600000000, -0.0005751400000000 ] - [ -0.0001597300000000, 0.0001072900000000, 0.0002032300000000 ] - [ 0.0214631900000000, -0.0160136100000000, -0.0096012900000000 ] - [ 0.0002057000000000, 0.0001353800000000, -0.0001595600000000 ] - [ 0.0001663800000000, 0.0001278300000000, -0.0000058000000000 ] - [ -0.0007188900000000, -0.0030995400000000, -0.0000469600000000 ] - [ 0.0004129400000000, -0.0002670300000000, -0.0001333400000000 ] - [ -0.0000241100000000, 0.0001608900000000, 0.0000134700000000 ] - [ -0.0000704300000000, 0.0003115100000000, 0.0003066900000000 ] - [ 0.0003300400000000, -0.0001519100000000, -0.0000456400000000 ] - [ -0.0000337600000000, -0.0006688100000000, -0.0001040700000000 ] - [ 0.0001466800000000, 0.0010722700000000, 0.0004725200000000 ] - [ -0.0000852700000000, 0.0001720200000000, -0.0001046400000000 ] - [ -0.0001602600000000, 0.0000488700000000, -0.0001404000000000 ] - [ -0.0010250400000000, -0.0028254300000000, -0.0008729500000000 ] - [ 0.0003554800000000, -0.0000565500000000, 0.0000955800000000 ] - [ -0.0000107400000000, 0.0000952800000000, 0.0000267100000000 ] - [ -0.0000442400000000, 0.0000151500000000, -0.0000683300000000 ] - [ -0.0004082100000000, -0.0013835100000000, 0.0006094100000000 ] - [ 0.0002724500000000, 0.0006569300000000, 0.0000924400000000 ] - [ 0.0000127300000000, 0.0000192700000000, -0.0000683800000000 ] - [ -0.0000725100000000, 0.0003203800000000, 0.0000895400000000 ] - [ -0.0002201100000000, 0.0000123200000000, -0.0002405000000000 ] - [ 0.0000823800000000, -0.0000526500000000, 0.0001233600000000 ] - [ 0.0000826500000000, 0.0000854500000000, 0.0003646300000000 ] - [ 0.0001058100000000, 0.0001342600000000, -0.0002328900000000 ] - [ -0.0000694300000000, -0.0005190000000000, -0.0000150900000000 ] - [ 0.0001458400000000, 0.0003114700000000, 0.0005822900000000 ] - [ -0.0000836700000000, 0.0002115100000000, -0.0000803000000000 ] - [ -0.0006150600000000, -0.0013639900000000, -0.0012154800000000 ] - [ -0.0000732300000000, 0.0001826000000000, -0.0001103000000000 ] - [ 0.0001424300000000, 0.0001005500000000, 0.0000335700000000 ] - [ 0.0006275000000000, 0.0011785800000000, 0.0013105600000000 ] - [ 0.0000814600000000, -0.0005304500000000, -0.0003645400000000 ] - [ -0.0116752100000000, -0.0321552000000000, -0.0198299200000000 ] - [ 0.0001290900000000, 0.0001561800000000, 0.0002252000000000 ] - [ 0.0000104600000000, 0.0001872900000000, -0.0002171100000000 ] - [ -0.0000332400000000, 0.0000678300000000, -0.0008269900000000 ] - [ 0.0000055600000000, 0.0001350200000000, 0.0002525600000000 ] - [ -0.0001568100000000, -0.0001012000000000, 0.0003393200000000 ] - [ 0.0003327100000000, -0.0003286100000000, 0.0003778000000000 ] - [ 0.0006762600000000, -0.0020441100000000, -0.0007188900000000 ] - [ -0.0007731800000000, 0.0001958400000000, 0.0003190100000000 ] - [ -0.0000540200000000, -0.0000758100000000, -0.0000442600000000 ] - [ -0.0001453900000000, 0.0002817100000000, -0.0000250400000000 ] - [ -0.0121447300000000, -0.0368789900000000, 0.0193027200000000 ] - [ 0.0000330300000000, 0.0001562200000000, -0.0002052000000000 ] - [ 0.0000810000000000, 0.0000083200000000, -0.0001887700000000 ] - [ 0.0000996000000000, 0.0001947600000000, 0.0003074600000000 ] - [ -0.0001344800000000, -0.0000587900000000, -0.0001588100000000 ] - [ 0.0000229500000000, 0.0003816100000000, -0.0001243200000000 ] - [ -0.0002389700000000, 0.0002315300000000, -0.0002024200000000 ] - [ -0.0002231300000000, -0.0000238400000000, 0.0001817900000000 ] - [ 0.0003136700000000, -0.0003280600000000, -0.0005488400000000 ] - [ -0.0000183300000000, 0.0000657800000000, 0.0000981400000000 ] - [ -0.0000131400000000, -0.0000616200000000, 0.0001341100000000 ] - [ 0.0000043900000000, 0.0000521200000000, -0.0002434900000000 ] - [ 0.0000292000000000, -0.0000147500000000, 0.0001197500000000 ] - [ -0.0000825900000000, -0.0001025900000000, 0.0000559400000000 ] - [ -0.0005365200000000, -0.0003020400000000, -0.0000521500000000 ] - [ -0.0003256200000000, 0.0011030600000000, 0.0002777500000000 ] - [ 0.0001521200000000, 0.0002435200000000, -0.0007131700000000 ] - [ 0.0001263200000000, -0.0002204800000000, -0.0000957900000000 ] - [ -0.0003035200000000, 0.0005291500000000, 0.0002776500000000 ] - [ -0.0002111500000000, 0.0006863100000000, -0.0002288200000000 ] - [ 0.0002605600000000, -0.0016784500000000, -0.0041685800000000 ] - [ 0.0000505400000000, -0.0003562500000000, 0.0002322100000000 ] - [ -0.0000221800000000, 0.0003769400000000, 0.0003258500000000 ] - [ 0.0000822800000000, 0.0003384000000000, -0.0004964300000000 ] - [ 0.0064461700000000, 0.0175938600000000, 0.0024915700000000 ] - [ -0.0001582400000000, 0.0000175700000000, -0.0002711400000000 ] - [ -0.0000888100000000, -0.0001887000000000, -0.0001897800000000 ] - [ -0.0005254000000000, -0.0011980000000000, -0.0010271700000000 ] - [ -0.0236763700000000, 0.0895777800000000, 0.0073014800000000 ] - [ -0.0001924200000000, 0.0003544000000000, 0.0003519000000000 ] - [ -0.0002164000000000, -0.0002936700000000, -0.0002035700000000 ] - [ -0.0002641900000000, -0.0001393800000000, 0.0002820600000000 ] - [ -0.0000617800000000, -0.0000494600000000, -0.0001456100000000 ] - [ 0.0006869200000000, 0.0022913500000000, 0.0004667200000000 ] - [ -0.0008260100000000, -0.0013162800000000, -0.0006460900000000 ] - [ -0.0001496300000000, -0.0000916500000000, -0.0001359800000000 ] - [ 0.0008343300000000, 0.0029473500000000, 0.0025170400000000 ] - [ -0.0000693800000000, 0.0001059700000000, 0.0000763200000000 ] - [ -0.0000812800000000, -0.0005424900000000, -0.0002150100000000 ] - [ -0.0004158800000000, -0.0014178500000000, 0.0002594900000000 ] - [ 0.0038064300000000, -0.0029193800000000, -0.0009397300000000 ] - [ -0.0016563800000000, 0.0029239400000000, 0.0017413000000000 ] - [ -0.0000162900000000, -0.0001459700000000, -0.0001033800000000 ] - [ -0.0001181600000000, -0.0001949400000000, 0.0000205700000000 ] - [ 0.0011262600000000, -0.0010095700000000, 0.0004199500000000 ] - [ -0.0003220000000000, 0.0005184100000000, 0.0000194700000000 ] - [ -0.0000259900000000, -0.0003252900000000, -0.0002359200000000 ] - [ -0.0000685900000000, -0.0004747200000000, 0.0000870100000000 ] - [ -0.0004503200000000, 0.0004498300000000, 0.0003762300000000 ] - [ -0.0005232600000000, -0.0008880800000000, -0.0000831600000000 ] - [ 0.0003757500000000, -0.0001751600000000, -0.0002088300000000 ] - [ 0.0008456300000000, -0.0016035200000000, -0.0014166900000000 ] - [ 0.0000318900000000, 0.0002745700000000, 0.0001354400000000 ] - [ -0.0002241200000000, -0.0002076500000000, 0.0001307400000000 ] - [ 0.0001925000000000, -0.0003402500000000, 0.0000130900000000 ] - [ 0.0036911600000000, -0.0039538500000000, 0.0017007600000000 ] - [ 0.0003761100000000, 0.0002517100000000, -0.0002490600000000 ] - [ -0.0001949300000000, 0.0021188300000000, -0.0015448100000000 ] - [ -0.0000682300000000, -0.0002020500000000, 0.0003127800000000 ] - [ -0.0000668700000000, -0.0005625700000000, -0.0001842100000000 ] - [ -0.0002625000000000, 0.0003862900000000, 0.0001404500000000 ] - [ 0.0002450300000000, -0.0001544700000000, 0.0002325900000000 ] - [ -0.0001684000000000, -0.0006193700000000, 0.0000665000000000 ] - [ 0.0000458700000000, -0.0004949400000000, 0.0000425700000000 ] - [ 0.0004168300000000, -0.0001468200000000, 0.0003206200000000 ] - [ 0.0000321300000000, -0.0004201200000000, 0.0000340600000000 ] - [ -0.0001888200000000, -0.0000635300000000, -0.0002561800000000 ] - [ 0.0001548800000000, 0.0013308900000000, 0.0005237800000000 ] - [ 0.0001283100000000, 0.0001064500000000, 0.0001021600000000 ] - [ 0.0001297300000000, -0.0001413200000000, -0.0000423900000000 ] - [ -0.0006563600000000, -0.0014914300000000, 0.0002044600000000 ] - [ -0.0033114800000000, 0.0018725400000000, -0.0008122200000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0008792500000000, -0.0001770300000000, -0.0009440200000000 ] - [ 0.0001433700000000, -0.0001686300000000, -0.0005432500000000 ] - [ 0.0001704900000000, -0.0000067000000000, 0.0001603500000000 ] - [ -0.0000934000000000, 0.0007754900000000, -0.0002999400000000 ] - [ 0.0216300500000000, -0.0057842400000000, 0.0136127300000000 ] - [ -0.0010863300000000, -0.0000176100000000, 0.0008080100000000 ] - [ -0.0000131600000000, -0.0000537300000000, -0.0001152800000000 ] - [ 0.0001655400000000, 0.0000192500000000, -0.0004261800000000 ] - [ 0.0003044500000000, -0.0005875200000000, -0.0008793100000000 ] - [ 0.0000775300000000, -0.0000529200000000, -0.0003049500000000 ] - [ -0.0000931400000000, -0.0000382700000000, 0.0004292800000000 ] - [ 0.0005464400000000, 0.0006825800000000, -0.0004491200000000 ] - [ -0.0001815300000000, -0.0000304400000000, 0.0003181500000000 ] - [ -0.0196733200000000, 0.0105324000000000, 0.0131953000000000 ] - [ 0.0000782400000000, 0.0001478500000000, -0.0004491600000000 ] - [ 0.0002025300000000, 0.0000623200000000, -0.0002181100000000 ] - [ 0.0018992100000000, -0.0008575500000000, -0.0015595000000000 ] - [ -0.0001166200000000, 0.0002219100000000, 0.0003864000000000 ] - [ 0.0000139800000000, 0.0000097100000000, -0.0002137500000000 ] - [ 0.0001423500000000, -0.0004365700000000, -0.0004378000000000 ] - [ 0.0004365900000000, 0.0002813200000000, -0.0003514200000000 ] - [ 0.0002391800000000, -0.0001791700000000, -0.0006068600000000 ] - [ -0.0001472500000000, -0.0000794500000000, 0.0008404600000000 ] - [ -0.0000852300000000, -0.0000200300000000, 0.0000159800000000 ] - [ -0.0001156200000000, 0.0004455200000000, 0.0005841400000000 ] - [ -0.0017700800000000, 0.0004859500000000, -0.0020197800000000 ] - [ -0.0003306800000000, -0.0002731400000000, -0.0004578700000000 ] - [ -0.0001080100000000, -0.0000782500000000, -0.0002604100000000 ] - [ -0.0001402300000000, 0.0004996900000000, 0.0001608400000000 ] - [ -0.0001411700000000, -0.0006837700000000, -0.0009856200000000 ] - [ -0.0001269300000000, -0.0002438200000000, 0.0002471700000000 ] - [ -0.0000383100000000, -0.0001309000000000, -0.0001356100000000 ] - [ 0.0003370500000000, -0.0006603000000000, -0.0000254700000000 ] - [ -0.0001101700000000, 0.0002189700000000, 0.0001139600000000 ] - [ 0.0001784200000000, 0.0000124900000000, -0.0003646600000000 ] - [ 0.0001021400000000, -0.0000529500000000, -0.0007074800000000 ] - [ 0.0001642700000000, 0.0002996200000000, -0.0004151500000000 ] - [ -0.0001740400000000, 0.0000214200000000, -0.0005960500000000 ] - [ -0.0001161700000000, -0.0000857400000000, 0.0010028900000000 ] - [ -0.0002456200000000, -0.0001830200000000, -0.0002069000000000 ] - [ -0.0001615500000000, -0.0000393700000000, -0.0010477500000000 ] - [ -0.0000224000000000, 0.0000848200000000, 0.0001930700000000 ] - [ 0.0001223300000000, -0.0001040400000000, -0.0001248600000000 ] - [ -0.0003617400000000, -0.0017153300000000, -0.0009524600000000 ] - [ -0.0000408300000000, 0.0004460300000000, 0.0010621600000000 ] - [ 0.0092023300000000, 0.0213622200000000, 0.0240954100000000 ] - [ -0.0000293200000000, -0.0001674300000000, -0.0002176700000000 ] - [ 0.0000317500000000, 0.0000323400000000, -0.0005147000000000 ] - [ 0.0000022500000000, 0.0002486500000000, -0.0015194100000000 ] - [ -0.0000207600000000, 0.0002351500000000, -0.0001306100000000 ] - [ 0.0005708400000000, 0.0000823400000000, 0.0002448100000000 ] - [ -0.0000100600000000, 0.0001732500000000, 0.0002081100000000 ] - [ -0.0005636500000000, 0.0016823500000000, 0.0022316200000000 ] - [ 0.0004344200000000, -0.0004407700000000, 0.0003173800000000 ] - [ -0.0001809800000000, -0.0001101500000000, -0.0002861700000000 ] - [ -0.0001012100000000, 0.0001492800000000, -0.0001824700000000 ] - [ -0.0099584700000000, -0.0248518000000000, 0.0240341800000000 ] - [ -0.0002418500000000, 0.0004300900000000, 0.0004027900000000 ] - [ 0.0000774100000000, -0.0000269000000000, -0.0004313500000000 ] - [ 0.0000370600000000, 0.0000130600000000, -0.0003023700000000 ] - [ -0.0000487100000000, 0.0000512200000000, 0.0003577800000000 ] - [ 0.0001891200000000, -0.0001023700000000, 0.0000375900000000 ] - [ -0.0003448500000000, 0.0005087600000000, -0.0003686600000000 ] - [ -0.0001249700000000, -0.0001598300000000, -0.0002978300000000 ] - [ 0.0000166700000000, 0.0002343500000000, 0.0000865100000000 ] - [ -0.0000744700000000, 0.0000277400000000, -0.0003128900000000 ] - [ -0.0000011900000000, -0.0001575400000000, 0.0003955600000000 ] - [ 0.0001617300000000, -0.0003734600000000, 0.0000535000000000 ] - [ -0.0000389100000000, 0.0001044600000000, -0.0002411100000000 ] - [ -0.0001039900000000, 0.0000007400000000, -0.0000187400000000 ] - [ -0.0002529000000000, -0.0000830300000000, 0.0007637500000000 ] - [ 0.0004033600000000, -0.0008711800000000, -0.0012904400000000 ] - [ 0.0001555800000000, 0.0006355700000000, -0.0011042100000000 ] - [ 0.0000919900000000, -0.0000666100000000, -0.0003989200000000 ] - [ -0.0003325900000000, -0.0001052500000000, 0.0004498700000000 ] - [ 0.0000927800000000, -0.0000534200000000, 0.0002698200000000 ] - [ 0.0011313300000000, 0.0014863800000000, -0.0051030300000000 ] - [ -0.0000878500000000, -0.0002653800000000, -0.0003472300000000 ] - [ 0.0000617700000000, -0.0000898100000000, 0.0003990600000000 ] - [ 0.0000861800000000, 0.0000982500000000, -0.0006032300000000 ] - [ 0.0001077700000000, 0.0004876800000000, 0.0187753800000000 ] - [ 0.0002365100000000, -0.0003430900000000, -0.0007805000000000 ] - [ -0.0000538100000000, 0.0000941500000000, 0.0003323000000000 ] - [ 0.0003841100000000, 0.0012278100000000, 0.0018836500000000 ] - [ -0.0027770000000000, -0.0063455000000000, -0.0809515600000000 ] - [ 0.0004036600000000, -0.0004354900000000, -0.0017084400000000 ] - [ -0.0002437600000000, -0.0001218900000000, 0.0001557600000000 ] - [ -0.0001613900000000, 0.0001992200000000, 0.0008452600000000 ] - [ -0.0002410900000000, -0.0004593700000000, -0.0002155300000000 ] - [ 0.0001278600000000, 0.0003272100000000, 0.0012250500000000 ] - [ 0.0001910900000000, 0.0004157500000000, -0.0015487900000000 ] - [ 0.0000871500000000, 0.0001541300000000, -0.0000510500000000 ] - [ 0.0011669100000000, 0.0026544900000000, 0.0045780600000000 ] - [ 0.0001085700000000, 0.0001387400000000, 0.0007233100000000 ] - [ 0.0000444100000000, 0.0001278000000000, -0.0001319800000000 ] - [ -0.0003560000000000, -0.0010940800000000, 0.0007016000000000 ] - [ -0.0031776600000000, 0.0007711600000000, -0.0029017900000000 ] - [ 0.0029389500000000, -0.0014673000000000, -0.0027889700000000 ] - [ 0.0000339800000000, 0.0000938300000000, 0.0002942200000000 ] - [ 0.0000353000000000, 0.0001403900000000, 0.0004426500000000 ] - [ 0.0014169800000000, -0.0019619500000000, 0.0010925700000000 ] - [ 0.0003965600000000, 0.0004284400000000, 0.0006602400000000 ] - [ 0.0000734200000000, 0.0000785500000000, -0.0000837800000000 ] - [ 0.0002409400000000, 0.0002059300000000, 0.0003900400000000 ] - [ -0.0006811300000000, -0.0003149900000000, 0.0008611500000000 ] - [ -0.0007243600000000, -0.0015894000000000, -0.0004122100000000 ] - [ -0.0002383500000000, 0.0001935200000000, 0.0001058600000000 ] - [ -0.0005078800000000, 0.0014399200000000, 0.0008992400000000 ] - [ 0.0000698500000000, -0.0000555800000000, 0.0007660000000000 ] - [ -0.0002316200000000, -0.0003215200000000, 0.0006156500000000 ] - [ -0.0000715600000000, -0.0002061900000000, -0.0004653600000000 ] - [ 0.0037370400000000, -0.0011417000000000, -0.0026618100000000 ] - [ -0.0000953800000000, 0.0005944600000000, 0.0007350900000000 ] - [ -0.0025814800000000, 0.0000983100000000, 0.0009914600000000 ] - [ -0.0000793000000000, -0.0001383700000000, 0.0003346000000000 ] - [ -0.0000420400000000, 0.0000029500000000, -0.0002675300000000 ] - [ -0.0004434500000000, 0.0001895200000000, 0.0008214600000000 ] - [ 0.0003638000000000, -0.0002527700000000, 0.0007719400000000 ] - [ 0.0002748000000000, -0.0000598800000000, -0.0005244200000000 ] - [ -0.0003353300000000, -0.0002180200000000, -0.0005567300000000 ] - [ 0.0001826900000000, -0.0005987400000000, 0.0007469000000000 ] - [ -0.0000025200000000, -0.0002152500000000, -0.0000258900000000 ] - [ 0.0003312500000000, 0.0003128500000000, 0.0003694300000000 ] - [ 0.0015590100000000, 0.0008527500000000, 0.0011657800000000 ] - [ -0.0000221900000000, 0.0001581900000000, 0.0007779000000000 ] - [ -0.0000253000000000, -0.0000187500000000, 0.0002724200000000 ] - [ 0.0011098300000000, 0.0022659300000000, -0.0013206200000000 ] - [ -0.0033409900000000, 0.0015681200000000, -0.0026468400000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0006256800000000, 0.0001768500000000, 0.0009861500000000 ] - [ -0.0003837600000000, 0.0001649000000000, 0.0004871700000000 ] - [ 0.0000708000000000, 0.0000114300000000, -0.0002128900000000 ] - [ 0.0003334500000000, -0.0007754400000000, 0.0003485000000000 ] - [ -0.0214762000000000, 0.0056628100000000, -0.0137517900000000 ] - [ 0.0010348700000000, 0.0000864900000000, -0.0007777800000000 ] - [ 0.0000656700000000, -0.0000150700000000, 0.0001416900000000 ] - [ -0.0001129200000000, 0.0000492500000000, 0.0003941400000000 ] - [ -0.0001863300000000, 0.0005524800000000, 0.0008335400000000 ] - [ 0.0000352200000000, 0.0000788200000000, 0.0003375500000000 ] - [ -0.0000184300000000, 0.0000155300000000, -0.0003912900000000 ] - [ -0.0006545900000000, -0.0006533300000000, 0.0004075200000000 ] - [ -0.0001162300000000, 0.0001780600000000, -0.0002548600000000 ] - [ 0.0192607100000000, -0.0106118400000000, -0.0134053500000000 ] - [ 0.0002179100000000, 0.0000001700000000, 0.0003797800000000 ] - [ 0.0000949900000000, -0.0002092600000000, 0.0002803300000000 ] - [ -0.0018812500000000, 0.0008363900000000, 0.0015206400000000 ] - [ 0.0001345400000000, -0.0002047300000000, -0.0003449200000000 ] - [ -0.0000259800000000, -0.0000262800000000, 0.0002534700000000 ] - [ -0.0001523800000000, 0.0004511800000000, 0.0003911200000000 ] - [ -0.0002556600000000, -0.0001909700000000, 0.0001849500000000 ] - [ -0.0000647100000000, 0.0000868800000000, 0.0007664700000000 ] - [ -0.0000228500000000, 0.0001701800000000, -0.0006750800000000 ] - [ -0.0000866700000000, -0.0000704500000000, -0.0001833300000000 ] - [ 0.0001640000000000, -0.0003364700000000, -0.0005291600000000 ] - [ 0.0018142000000000, -0.0005979800000000, 0.0019701100000000 ] - [ 0.0002777800000000, 0.0003846100000000, 0.0004015000000000 ] - [ 0.0000581500000000, -0.0000335100000000, 0.0003106900000000 ] - [ 0.0000973800000000, -0.0000943100000000, -0.0001513000000000 ] - [ 0.0000970600000000, 0.0002739500000000, 0.0009715800000000 ] - [ 0.0001712100000000, 0.0006523200000000, -0.0002532300000000 ] - [ 0.0000841000000000, -0.0002801200000000, 0.0001378800000000 ] - [ -0.0004961300000000, 0.0006404900000000, 0.0001910600000000 ] - [ -0.0000480700000000, -0.0002018700000000, -0.0002931500000000 ] - [ -0.0000194900000000, -0.0000295700000000, 0.0001875700000000 ] - [ 0.0000557000000000, 0.0000710400000000, 0.0008754200000000 ] - [ 0.0001158900000000, -0.0001845600000000, 0.0000811400000000 ] - [ 0.0004515200000000, -0.0001360000000000, 0.0009227300000000 ] - [ -0.0001684100000000, 0.0002020400000000, -0.0006702200000000 ] - [ -0.0000350000000000, 0.0000683600000000, -0.0001275800000000 ] - [ -0.0001165200000000, -0.0000581300000000, 0.0010383500000000 ] - [ -0.0002501700000000, 0.0000063300000000, -0.0001931700000000 ] - [ 0.0001534600000000, 0.0000121100000000, 0.0001217100000000 ] - [ 0.0006306900000000, 0.0017856700000000, 0.0009400100000000 ] - [ 0.0000250600000000, -0.0005256300000000, -0.0014624600000000 ] - [ -0.0095457600000000, -0.0221246300000000, -0.0242688500000000 ] - [ 0.0000423000000000, 0.0000891400000000, 0.0006137300000000 ] - [ -0.0000179600000000, 0.0000458200000000, 0.0001106000000000 ] - [ -0.0001327700000000, -0.0001909300000000, 0.0011899600000000 ] - [ -0.0001062900000000, -0.0002874600000000, 0.0004395500000000 ] - [ -0.0004477200000000, -0.0000312700000000, 0.0000680300000000 ] - [ 0.0001369600000000, -0.0002259000000000, -0.0005182700000000 ] - [ 0.0007037900000000, -0.0017693300000000, -0.0022454900000000 ] - [ -0.0002766400000000, 0.0005615500000000, -0.0002872600000000 ] - [ 0.0000244600000000, -0.0000059300000000, 0.0003107900000000 ] - [ -0.0000567500000000, -0.0000322400000000, 0.0001525100000000 ] - [ 0.0101719700000000, 0.0254546400000000, -0.0242231600000000 ] - [ 0.0001299500000000, -0.0002131800000000, -0.0007408300000000 ] - [ 0.0000360700000000, -0.0001888000000000, 0.0000877900000000 ] - [ 0.0000756100000000, 0.0002023100000000, 0.0006387900000000 ] - [ 0.0002519800000000, 0.0000684800000000, -0.0001379600000000 ] - [ 0.0000128800000000, -0.0000159900000000, -0.0002617800000000 ] - [ 0.0001397600000000, -0.0003834400000000, 0.0001413700000000 ] - [ -0.0000772600000000, 0.0000380900000000, 0.0005187100000000 ] - [ 0.0000442400000000, -0.0003881800000000, -0.0004929500000000 ] - [ 0.0001363400000000, 0.0001242700000000, 0.0007185300000000 ] - [ -0.0000596200000000, 0.0000044200000000, 0.0000078600000000 ] - [ -0.0002204300000000, 0.0005207900000000, -0.0004586500000000 ] - [ -0.0000277100000000, -0.0001425200000000, 0.0000126600000000 ] - [ 0.0000370100000000, 0.0000366600000000, 0.0002426400000000 ] - [ 0.0003133200000000, 0.0000482600000000, -0.0005412200000000 ] - [ -0.0003274900000000, 0.0008926900000000, 0.0010503000000000 ] - [ 0.0001670900000000, -0.0005476200000000, 0.0010457000000000 ] - [ 0.0002311000000000, -0.0000168500000000, 0.0004438500000000 ] - [ 0.0000108500000000, 0.0001915700000000, -0.0004020400000000 ] - [ -0.0004137000000000, -0.0000306600000000, -0.0003191600000000 ] - [ -0.0011559500000000, -0.0013067600000000, 0.0044963200000000 ] - [ 0.0000309100000000, 0.0001318500000000, 0.0008840300000000 ] - [ -0.0000059200000000, 0.0002247100000000, 0.0001412900000000 ] - [ -0.0000305600000000, -0.0002306400000000, 0.0000572000000000 ] - [ 0.0000387400000000, -0.0002887700000000, -0.0185492200000000 ] - [ -0.0001057900000000, 0.0001675200000000, 0.0003565200000000 ] - [ -0.0000823600000000, 0.0000813700000000, -0.0007488000000000 ] - [ -0.0005160100000000, -0.0013927700000000, -0.0014536000000000 ] - [ 0.0029978500000000, 0.0061155700000000, 0.0831012400000000 ] - [ -0.0000764600000000, 0.0005969000000000, 0.0013856800000000 ] - [ -0.0000862200000000, -0.0000397600000000, -0.0004761400000000 ] - [ -0.0001654700000000, -0.0000382600000000, -0.0005262400000000 ] - [ 0.0002929300000000, 0.0002013800000000, 0.0000506400000000 ] - [ -0.0000725500000000, -0.0000641500000000, -0.0010639200000000 ] - [ -0.0002438900000000, -0.0006760600000000, 0.0016892600000000 ] - [ -0.0001410600000000, 0.0001081500000000, -0.0001051600000000 ] - [ -0.0011683000000000, -0.0025858500000000, -0.0045356100000000 ] - [ -0.0001282800000000, -0.0001720800000000, -0.0007024000000000 ] - [ -0.0000283800000000, -0.0000981300000000, 0.0001490900000000 ] - [ 0.0003712400000000, 0.0010546400000000, -0.0007201800000000 ] - [ 0.0031921700000000, -0.0008454400000000, 0.0030538800000000 ] - [ -0.0029132000000000, 0.0015590800000000, 0.0026587000000000 ] - [ -0.0000527900000000, -0.0001803000000000, -0.0004357300000000 ] - [ -0.0000549500000000, -0.0000527500000000, -0.0003018300000000 ] - [ -0.0015129600000000, 0.0018547200000000, -0.0010716700000000 ] - [ -0.0005192500000000, -0.0003236600000000, -0.0006956800000000 ] - [ 0.0000513300000000, -0.0001867200000000, 0.0000430700000000 ] - [ -0.0001160700000000, -0.0000981700000000, -0.0003531900000000 ] - [ 0.0004674300000000, 0.0004367300000000, -0.0007167100000000 ] - [ 0.0004986300000000, 0.0014450700000000, 0.0002622400000000 ] - [ 0.0004485400000000, -0.0000727500000000, -0.0002500200000000 ] - [ 0.0007124200000000, -0.0015650600000000, -0.0007718400000000 ] - [ -0.0001514700000000, 0.0000068800000000, -0.0007599500000000 ] - [ 0.0001457600000000, 0.0003677100000000, -0.0006176400000000 ] - [ 0.0001552900000000, 0.0001558600000000, 0.0004565400000000 ] - [ -0.0036472900000000, 0.0011835900000000, 0.0026747900000000 ] - [ 0.0000554300000000, -0.0005775700000000, -0.0008642100000000 ] - [ 0.0025200800000000, -0.0000993900000000, -0.0008761100000000 ] - [ 0.0001170600000000, 0.0001583500000000, -0.0002046800000000 ] - [ 0.0000790100000000, -0.0000244200000000, 0.0001340200000000 ] - [ 0.0003297600000000, 0.0000558500000000, -0.0007843300000000 ] - [ -0.0004688800000000, 0.0000061900000000, -0.0008033600000000 ] - [ -0.0001651000000000, 0.0003022500000000, 0.0004841800000000 ] - [ 0.0004446100000000, -0.0000274700000000, 0.0005892400000000 ] - [ -0.0002762500000000, 0.0007763600000000, -0.0008038200000000 ] - [ -0.0000908100000000, 0.0000386300000000, 0.0000795700000000 ] - [ -0.0002327400000000, -0.0001364000000000, -0.0003101900000000 ] - [ -0.0014581900000000, -0.0010380200000000, -0.0012431600000000 ] - [ 0.0000576400000000, -0.0001321700000000, -0.0005957200000000 ] - [ 0.0000617500000000, -0.0000046300000000, -0.0004529000000000 ] - [ -0.0011484800000000, -0.0022460800000000, 0.0011293700000000 ] - [ 0.0032932200000000, -0.0015917400000000, 0.0028362100000000 ]- atom: 89 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0011765300000000, 0.0005074800000000, -0.0000575300000000 ] - [ 0.0003938900000000, 0.0000220500000000, -0.0010914200000000 ] - [ 0.0005103400000000, 0.0007394100000000, 0.0002286900000000 ] - [ 0.0001192300000000, -0.0000272600000000, 0.0000406300000000 ] - [ -0.0000753600000000, 0.0001278300000000, -0.0001407100000000 ] - [ 0.0000125300000000, -0.0001129900000000, 0.0000791500000000 ] - [ 0.0006196600000000, -0.0005859500000000, -0.0000716700000000 ] - [ -0.0000163200000000, -0.0000148900000000, -0.0000006800000000 ] - [ -0.0005333500000000, -0.0006109700000000, 0.0001128100000000 ] - [ 0.0003633000000000, 0.0003750400000000, 0.0010165200000000 ] - [ 0.0002275300000000, 0.0001817200000000, 0.0000177800000000 ] - [ -0.0000795800000000, -0.0000062900000000, 0.0000198000000000 ] - [ 0.0000009900000000, -0.0000283300000000, 0.0001006200000000 ] - [ -0.0003335500000000, -0.0002431800000000, 0.0001833500000000 ] - [ 0.0001428200000000, 0.0000218600000000, -0.0000099800000000 ] - [ -0.0001031200000000, 0.0010100600000000, -0.0002284300000000 ] - [ -0.0000456200000000, 0.0000145300000000, -0.0000067000000000 ] - [ 0.0004687100000000, -0.0009519600000000, 0.0013033600000000 ] - [ 0.0005699500000000, -0.0000670300000000, 0.0002761000000000 ] - [ -0.0001510100000000, -0.0000926900000000, -0.0000278600000000 ] - [ 0.0595296900000000, 0.0183366600000000, 0.0231343200000000 ] - [ -0.0000437900000000, 0.0003483600000000, 0.0004029300000000 ] - [ -0.0001225400000000, 0.0000058500000000, 0.0000583800000000 ] - [ -0.0000543300000000, -0.0000089600000000, -0.0000192900000000 ] - [ 0.0009989200000000, -0.0007976000000000, -0.0010833100000000 ] - [ 0.0000285400000000, -0.0000843400000000, -0.0000225100000000 ] - [ 0.0000492600000000, 0.0000005900000000, -0.0000451100000000 ] - [ -0.0000006100000000, 0.0002640700000000, -0.0002072400000000 ] - [ 0.0114496500000000, -0.0148527400000000, 0.0104565100000000 ] - [ -0.0000889200000000, -0.0001414300000000, 0.0000263400000000 ] - [ -0.0000503400000000, 0.0000844100000000, -0.0000159700000000 ] - [ 0.0000943500000000, -0.0001476000000000, -0.0000095300000000 ] - [ -0.0005085700000000, -0.0002098300000000, 0.0000632300000000 ] - [ -0.0000240200000000, -0.0000227800000000, -0.0002033000000000 ] - [ 0.0002029400000000, -0.0001294400000000, -0.0000728000000000 ] - [ -0.0004809100000000, 0.0000174200000000, 0.0003237100000000 ] - [ 0.0537079100000000, 0.0206934900000000, -0.0229378800000000 ] - [ -0.0003051700000000, -0.0001801900000000, -0.0001939100000000 ] - [ -0.0001185900000000, 0.0000535800000000, 0.0001436200000000 ] - [ -0.0001238800000000, 0.0000229600000000, -0.0001005800000000 ] - [ -0.0002451100000000, -0.0000253200000000, -0.0000597600000000 ] - [ 0.0114222000000000, -0.0137763100000000, -0.0093549200000000 ] - [ 0.0001162300000000, 0.0000352200000000, 0.0000270900000000 ] - [ 0.0001038500000000, 0.0000153100000000, -0.0000017400000000 ] - [ 0.0003578400000000, -0.0003786700000000, -0.0004714000000000 ] - [ -0.0000481900000000, 0.0000248500000000, 0.0003073400000000 ] - [ -0.0001358700000000, -0.0003113100000000, 0.0001621600000000 ] - [ 0.0000988200000000, 0.0001214300000000, -0.0002813800000000 ] - [ -0.0008879500000000, -0.0008930100000000, -0.0006606900000000 ] - [ 0.0002208700000000, -0.0007839300000000, -0.0005446600000000 ] - [ 0.0001408100000000, 0.0001737000000000, 0.0003568300000000 ] - [ 0.0000326000000000, 0.0000035500000000, -0.0001075400000000 ] - [ 0.0000242600000000, -0.0000533000000000, 0.0000165100000000 ] - [ 0.0005694700000000, 0.0008658700000000, -0.0006482000000000 ] - [ -0.0000273300000000, -0.0000738500000000, -0.0000039400000000 ] - [ -0.0010909900000000, -0.0002771600000000, -0.0003791900000000 ] - [ -0.0001386300000000, -0.0001275300000000, 0.0002542200000000 ] - [ 0.0003908000000000, -0.0003243200000000, 0.0002363000000000 ] - [ 0.0002701200000000, 0.0004083000000000, -0.0005440900000000 ] - [ 0.0000416100000000, 0.0000273800000000, 0.0001658500000000 ] - [ 0.0001706400000000, 0.0001551300000000, 0.0000433600000000 ] - [ -0.0001000500000000, -0.0000767300000000, -0.0002898300000000 ] - [ -0.0008184500000000, -0.0001508100000000, -0.0000080600000000 ] - [ 0.0001793100000000, -0.0009508300000000, -0.0005861200000000 ] - [ -0.0000647400000000, -0.0002133200000000, -0.0001500400000000 ] - [ -0.0000102900000000, -0.0000537100000000, 0.0005315700000000 ] - [ 0.0003435200000000, -0.0001141000000000, 0.0006648000000000 ] - [ -0.0001205000000000, -0.0000290300000000, -0.0000848800000000 ] - [ -0.0006032200000000, -0.0000088300000000, 0.0003959600000000 ] - [ 0.0001499600000000, 0.0003809300000000, 0.0004264700000000 ] - [ 0.0000396500000000, -0.0002015100000000, -0.0002669800000000 ] - [ 0.0000174000000000, 0.0000062400000000, -0.0001453800000000 ] - [ -0.0015555000000000, 0.0003189800000000, 0.0003627100000000 ] - [ 0.0012008700000000, 0.0002825900000000, 0.0003362400000000 ] - [ -0.0001345200000000, 0.0002357100000000, 0.0000047000000000 ] - [ -0.0001578700000000, -0.0000513900000000, 0.0000030900000000 ] - [ -0.0013969300000000, -0.0000976800000000, 0.0001349500000000 ] - [ 0.0001878800000000, 0.0000334800000000, 0.0003017400000000 ] - [ 0.0000437500000000, 0.0001573200000000, 0.0002612100000000 ] - [ -0.0000056600000000, -0.0001143100000000, -0.0002145400000000 ] - [ 0.0000780300000000, 0.0000854500000000, 0.0001240300000000 ] - [ -0.0042438900000000, 0.0059413700000000, -0.0010712100000000 ] - [ -0.0000142600000000, -0.0002335000000000, 0.0001296700000000 ] - [ -0.0000077700000000, 0.0001013600000000, 0.0003181700000000 ] - [ 0.0003649100000000, 0.0000093300000000, -0.0001123100000000 ] - [ -0.0003677500000000, 0.0007390000000000, -0.0002546200000000 ] - [ -0.0010119900000000, -0.0008827200000000, 0.0000622300000000 ] - [ -0.0001233700000000, 0.0002032800000000, 0.0000408400000000 ] - [ -0.1436505700000000, -0.0176055000000000, -0.0006640000000000 ] - [ 0.0004542500000000, -0.0000638400000000, 0.0001600000000000 ] - [ -0.0000238100000000, -0.0000471200000000, 0.0001535500000000 ] - [ -0.0000152400000000, 0.0000542000000000, -0.0001650700000000 ] - [ 0.0015734500000000, 0.0005970600000000, -0.0000070300000000 ] - [ -0.0012684000000000, -0.0003993500000000, -0.0000229300000000 ] - [ 0.0004055200000000, -0.0005331300000000, -0.0001858700000000 ] - [ 0.0000581000000000, 0.0000000500000000, -0.0000727700000000 ] - [ 0.0002445700000000, -0.0001255200000000, 0.0001281600000000 ] - [ -0.0002874600000000, 0.0003433900000000, -0.0001778000000000 ] - [ -0.0000418000000000, 0.0001425200000000, -0.0000841700000000 ] - [ 0.0003338500000000, 0.0000567900000000, 0.0001077500000000 ] - [ 0.0049312700000000, -0.0022103000000000, 0.0031773600000000 ] - [ -0.0001414200000000, 0.0002656200000000, 0.0001699700000000 ] - [ 0.0000297800000000, -0.0000829600000000, 0.0001725200000000 ] - [ 0.0001291500000000, 0.0000594800000000, -0.0000377800000000 ] - [ -0.0001126400000000, 0.0000805800000000, 0.0000826700000000 ] - [ 0.0049951900000000, -0.0026376300000000, -0.0035656400000000 ] - [ 0.0001140100000000, 0.0001959000000000, -0.0002784900000000 ] - [ 0.0000921700000000, 0.0001184700000000, -0.0000338700000000 ] - [ -0.0002501300000000, -0.0000885500000000, -0.0000114900000000 ] - [ 0.0026695100000000, -0.0023572100000000, 0.0028728600000000 ] - [ -0.0002078200000000, 0.0001042100000000, -0.0000485100000000 ] - [ -0.0000136100000000, 0.0000935400000000, -0.0000557600000000 ] - [ 0.0000959300000000, -0.0001152400000000, -0.0002552800000000 ] - [ -0.0009681500000000, 0.0034229400000000, -0.0031506900000000 ] - [ 0.0000907000000000, 0.0000210500000000, 0.0000320400000000 ] - [ 0.0003477100000000, 0.0000194500000000, -0.0000006600000000 ] - [ -0.0001700800000000, 0.0038119900000000, 0.0031889900000000 ] - [ 0.0027227500000000, -0.0026339300000000, -0.0027512400000000 ] - [ 0.0001117500000000, 0.0001060500000000, -0.0000128300000000 ] - [ 0.0000858100000000, -0.0002480400000000, -0.0001090400000000 ] - [ -0.0001349900000000, 0.0002019900000000, 0.0000231500000000 ] - [ -0.0011785700000000, 0.0030398600000000, 0.0036401600000000 ] - [ 0.0002635600000000, -0.0000473000000000, 0.0001067200000000 ] - [ 0.0003680100000000, -0.0004515200000000, -0.0000450500000000 ] - [ 0.0000168000000000, 0.0002274000000000, 0.0001712500000000 ] - [ -0.0004850800000000, 0.0032296900000000, -0.0031610200000000 ] - [ 0.0003350600000000, -0.0001587400000000, -0.0002813200000000 ] - [ 0.0001722000000000, -0.0000199100000000, 0.0001232200000000 ]- atom: 89 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0009420500000000, -0.0005085800000000, 0.0001078000000000 ] - [ -0.0006336100000000, -0.0000263500000000, 0.0010324300000000 ] - [ -0.0002702600000000, -0.0007370000000000, -0.0002798200000000 ] - [ 0.0001235600000000, 0.0000235500000000, 0.0000114000000000 ] - [ 0.0000234800000000, -0.0001994200000000, 0.0001154700000000 ] - [ -0.0000618500000000, 0.0001829500000000, -0.0000520500000000 ] - [ -0.0005680600000000, 0.0005205800000000, 0.0001005800000000 ] - [ 0.0000704100000000, 0.0000841800000000, -0.0000275100000000 ] - [ 0.0006455000000000, 0.0005848000000000, -0.0001501200000000 ] - [ -0.0002486400000000, -0.0003505800000000, -0.0009864200000000 ] - [ -0.0003348100000000, -0.0002077000000000, 0.0000190100000000 ] - [ -0.0000318300000000, 0.0000322200000000, -0.0000564200000000 ] - [ -0.0002980100000000, 0.0001764800000000, -0.0000361300000000 ] - [ 0.0000365600000000, 0.0000932600000000, -0.0002472600000000 ] - [ 0.0001548600000000, 0.0001269500000000, -0.0000554400000000 ] - [ 0.0003989500000000, -0.0011513100000000, 0.0002935500000000 ] - [ 0.0000589900000000, -0.0000312200000000, -0.0000368000000000 ] - [ -0.0004485200000000, 0.0009734300000000, -0.0012510200000000 ] - [ -0.0005813000000000, 0.0000520400000000, -0.0002341800000000 ] - [ 0.0001402300000000, 0.0001097200000000, -0.0000153600000000 ] - [ -0.0572410100000000, -0.0173584800000000, -0.0222269000000000 ] - [ 0.0002179800000000, -0.0004383000000000, -0.0002367300000000 ] - [ -0.0000479300000000, 0.0000847400000000, 0.0001071400000000 ] - [ -0.0001162400000000, -0.0000812000000000, -0.0001460100000000 ] - [ -0.0009535100000000, 0.0009046000000000, 0.0011489500000000 ] - [ 0.0000225100000000, -0.0000273200000000, -0.0000319500000000 ] - [ -0.0000974300000000, 0.0001122800000000, -0.0000076500000000 ] - [ -0.0000473300000000, -0.0003746600000000, 0.0002604600000000 ] - [ -0.0114123000000000, 0.0153185900000000, -0.0104887800000000 ] - [ 0.0000442900000000, -0.0002697300000000, -0.0000324800000000 ] - [ 0.0000976900000000, 0.0003278200000000, 0.0000104500000000 ] - [ -0.0000470900000000, -0.0002633900000000, 0.0000154900000000 ] - [ 0.0003508900000000, 0.0001923300000000, 0.0001152000000000 ] - [ -0.0001329900000000, 0.0000404200000000, 0.0000272800000000 ] - [ -0.0000431100000000, 0.0001126000000000, -0.0001035600000000 ] - [ 0.0006411100000000, -0.0000005100000000, -0.0001477800000000 ] - [ -0.0552831400000000, -0.0215708100000000, 0.0236776100000000 ] - [ 0.0005842400000000, 0.0000643500000000, 0.0005239900000000 ] - [ -0.0001606700000000, 0.0000618200000000, 0.0001882300000000 ] - [ -0.0001551800000000, -0.0001377700000000, -0.0002320600000000 ] - [ -0.0000295000000000, -0.0000662000000000, 0.0000594700000000 ] - [ -0.0117893000000000, 0.0138333400000000, 0.0093102500000000 ] - [ 0.0001605500000000, -0.0001264400000000, -0.0000270400000000 ] - [ 0.0001719600000000, 0.0000771200000000, 0.0000021600000000 ] - [ -0.0003688000000000, 0.0002980500000000, 0.0000694400000000 ] - [ 0.0000361800000000, 0.0000534200000000, 0.0000921600000000 ] - [ 0.0001506100000000, 0.0002339900000000, 0.0002389700000000 ] - [ -0.0000842900000000, -0.0000421300000000, -0.0001200900000000 ] - [ 0.0007536600000000, 0.0009543700000000, 0.0003536000000000 ] - [ -0.0003471600000000, 0.0007316900000000, 0.0008576200000000 ] - [ -0.0000110300000000, -0.0001193900000000, -0.0000448700000000 ] - [ 0.0000962500000000, -0.0000565700000000, -0.0002036500000000 ] - [ 0.0001330700000000, -0.0000624800000000, -0.0000448600000000 ] - [ -0.0004096300000000, -0.0007529400000000, 0.0006792900000000 ] - [ -0.0001283000000000, -0.0000421000000000, 0.0000322200000000 ] - [ 0.0009349900000000, 0.0003923800000000, 0.0003511000000000 ] - [ 0.0000268700000000, -0.0000884800000000, 0.0000857500000000 ] - [ -0.0005037300000000, 0.0005431700000000, -0.0005790100000000 ] - [ -0.0001576700000000, -0.0006207300000000, 0.0002010600000000 ] - [ 0.0000727800000000, 0.0001892300000000, 0.0001747000000000 ] - [ 0.0000341600000000, -0.0000346200000000, 0.0001784800000000 ] - [ 0.0003053100000000, -0.0000417900000000, 0.0000669300000000 ] - [ 0.0006154800000000, 0.0002705600000000, -0.0002159400000000 ] - [ -0.0003789300000000, 0.0008228500000000, 0.0008053900000000 ] - [ 0.0001273400000000, 0.0000597900000000, -0.0002546600000000 ] - [ 0.0000721700000000, 0.0002051500000000, -0.0001233700000000 ] - [ -0.0004010500000000, -0.0000379400000000, -0.0002575100000000 ] - [ 0.0000603800000000, 0.0001830300000000, -0.0003216700000000 ] - [ 0.0005420500000000, -0.0000293000000000, -0.0006218900000000 ] - [ -0.0002150200000000, -0.0003428000000000, -0.0002010300000000 ] - [ 0.0000299700000000, 0.0001635600000000, 0.0004918000000000 ] - [ 0.0000506700000000, 0.0000320800000000, -0.0000807800000000 ] - [ 0.0019096200000000, -0.0002315700000000, -0.0004005100000000 ] - [ -0.0008743300000000, -0.0003692900000000, -0.0002891600000000 ] - [ -0.0001868100000000, -0.0001521600000000, 0.0000441800000000 ] - [ -0.0001637500000000, -0.0000316900000000, -0.0000526400000000 ] - [ 0.0013403400000000, 0.0002291000000000, -0.0006755400000000 ] - [ -0.0002414500000000, -0.0001689800000000, 0.0002374900000000 ] - [ 0.0000132000000000, -0.0000235500000000, 0.0002805900000000 ] - [ 0.0000623300000000, -0.0000197500000000, -0.0003256700000000 ] - [ 0.0000597900000000, 0.0000905900000000, 0.0002963600000000 ] - [ 0.0043823600000000, -0.0061193100000000, 0.0007019000000000 ] - [ -0.0001201800000000, 0.0004085500000000, -0.0005463300000000 ] - [ -0.0001269300000000, -0.0002761900000000, 0.0001008900000000 ] - [ -0.0000345400000000, -0.0001687800000000, 0.0004285400000000 ] - [ 0.0006959100000000, -0.0005794700000000, -0.0000611300000000 ] - [ 0.0006842100000000, 0.0007202300000000, -0.0003804000000000 ] - [ -0.0002018500000000, -0.0000431400000000, 0.0002760600000000 ] - [ 0.1432571600000000, 0.0174145700000000, -0.0015838900000000 ] - [ -0.0003972700000000, 0.0003250000000000, -0.0000042500000000 ] - [ -0.0000291400000000, -0.0002157100000000, 0.0000026200000000 ] - [ -0.0000372200000000, 0.0002081900000000, 0.0000087600000000 ] - [ -0.0015936300000000, -0.0005720700000000, -0.0000022300000000 ] - [ 0.0012505400000000, 0.0003703100000000, 0.0000450300000000 ] - [ -0.0003900600000000, 0.0005727200000000, 0.0002085000000000 ] - [ -0.0000395900000000, -0.0000315500000000, 0.0000532000000000 ] - [ -0.0002238300000000, 0.0000393000000000, 0.0000122800000000 ] - [ 0.0003084900000000, -0.0002548800000000, 0.0000368700000000 ] - [ 0.0000233900000000, -0.0002301200000000, -0.0000561200000000 ] - [ -0.0003509300000000, 0.0000306600000000, 0.0000336600000000 ] - [ -0.0051044200000000, 0.0021239200000000, -0.0031680900000000 ] - [ 0.0000197600000000, -0.0001584000000000, -0.0002042600000000 ] - [ 0.0000952500000000, -0.0000236400000000, -0.0002092300000000 ] - [ -0.0000041500000000, 0.0000467900000000, 0.0000742600000000 ] - [ -0.0000994100000000, 0.0000394900000000, 0.0000625100000000 ] - [ -0.0051595500000000, 0.0024971200000000, 0.0033943700000000 ] - [ 0.0001004200000000, -0.0000762500000000, 0.0001349100000000 ] - [ 0.0001221400000000, -0.0002380200000000, 0.0001779700000000 ] - [ 0.0001680400000000, 0.0000400200000000, 0.0000164500000000 ] - [ -0.0027350100000000, 0.0024095400000000, -0.0028716400000000 ] - [ 0.0002928700000000, -0.0001539300000000, 0.0000438100000000 ] - [ 0.0000978300000000, -0.0000438800000000, 0.0000602800000000 ] - [ -0.0001337100000000, 0.0001363800000000, 0.0001270500000000 ] - [ 0.0009307900000000, -0.0034247300000000, 0.0032686600000000 ] - [ -0.0000512600000000, -0.0000009000000000, 0.0000977300000000 ] - [ -0.0003080600000000, -0.0000397800000000, -0.0001304300000000 ] - [ 0.0000722800000000, -0.0035602900000000, -0.0031483700000000 ] - [ -0.0028476900000000, 0.0023870500000000, 0.0027203000000000 ] - [ -0.0000011900000000, 0.0001385900000000, -0.0000217900000000 ] - [ 0.0000255600000000, 0.0000033400000000, 0.0001444200000000 ] - [ 0.0000415300000000, -0.0000255700000000, -0.0000790800000000 ] - [ 0.0010893400000000, -0.0032290200000000, -0.0035930600000000 ] - [ -0.0001652000000000, 0.0002226400000000, -0.0000487900000000 ] - [ -0.0002661100000000, 0.0002664200000000, -0.0000160700000000 ] - [ 0.0000205700000000, -0.0002034800000000, 0.0000091800000000 ] - [ 0.0005126500000000, -0.0032579500000000, 0.0029843700000000 ] - [ -0.0003706200000000, 0.0001813300000000, 0.0001012000000000 ] - [ -0.0002070000000000, -0.0000031100000000, 0.0000576800000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003384900000000, 0.0003381300000000, -0.0001252700000000 ] - [ -0.0000975300000000, 0.0001816600000000, -0.0004055600000000 ] - [ 0.0002798700000000, -0.0007912700000000, -0.0003747200000000 ] - [ 0.0000581400000000, -0.0001590100000000, 0.0000360100000000 ] - [ 0.0004926000000000, 0.0002113200000000, -0.0000612500000000 ] - [ -0.0001071100000000, 0.0005689400000000, -0.0000704800000000 ] - [ 0.0002456300000000, -0.0009952900000000, 0.0003600500000000 ] - [ 0.0000192900000000, -0.0001139900000000, -0.0000047300000000 ] - [ -0.0001223400000000, -0.0001143900000000, -0.0001918200000000 ] - [ 0.0002447800000000, 0.0004088500000000, 0.0004556800000000 ] - [ 0.0006378800000000, -0.0008387500000000, -0.0004261200000000 ] - [ -0.0000471000000000, -0.0001511600000000, 0.0000103400000000 ] - [ -0.0003433700000000, 0.0005563700000000, -0.0000542700000000 ] - [ -0.0002000200000000, -0.0000883000000000, 0.0002852100000000 ] - [ 0.0001574400000000, -0.0000641400000000, -0.0000495000000000 ] - [ 0.0004631000000000, -0.0001902200000000, 0.0003579700000000 ] - [ 0.0000902100000000, 0.0000894600000000, 0.0000547600000000 ] - [ -0.0007476500000000, 0.0029803500000000, 0.0002823700000000 ] - [ -0.0000391600000000, -0.0002846500000000, 0.0002473300000000 ] - [ -0.0000423600000000, -0.0001996000000000, -0.0000220300000000 ] - [ 0.0184310100000000, 0.0134002600000000, 0.0077095900000000 ] - [ 0.0000436900000000, 0.0003800700000000, 0.0003549000000000 ] - [ -0.0000769300000000, -0.0001514800000000, 0.0000645000000000 ] - [ -0.0000726500000000, -0.0001730000000000, -0.0001444700000000 ] - [ -0.0012047600000000, 0.0029107700000000, -0.0008453500000000 ] - [ 0.0000322700000000, -0.0000418300000000, 0.0000497300000000 ] - [ 0.0000580700000000, -0.0003075700000000, -0.0001495200000000 ] - [ 0.0002233200000000, 0.0000637000000000, 0.0001466800000000 ] - [ -0.0139213100000000, 0.0422690400000000, -0.0247931700000000 ] - [ -0.0000107800000000, -0.0000917500000000, 0.0000447000000000 ] - [ -0.0000929400000000, -0.0002199200000000, 0.0000303700000000 ] - [ 0.0001260500000000, -0.0003578800000000, 0.0001370800000000 ] - [ -0.0002077900000000, -0.0000676900000000, -0.0000540400000000 ] - [ -0.0001129400000000, -0.0000715300000000, 0.0000025000000000 ] - [ 0.0000517000000000, -0.0003055900000000, -0.0001015500000000 ] - [ -0.0000757000000000, 0.0000147500000000, 0.0002230400000000 ] - [ 0.0208869700000000, 0.0156233600000000, -0.0102207500000000 ] - [ 0.0000533500000000, -0.0000670800000000, 0.0000703900000000 ] - [ -0.0001160700000000, -0.0002365400000000, 0.0001927800000000 ] - [ -0.0000842400000000, -0.0001266800000000, -0.0002451700000000 ] - [ -0.0001753800000000, -0.0000307000000000, 0.0000478800000000 ] - [ -0.0137217800000000, 0.0411152000000000, 0.0231749600000000 ] - [ 0.0001774400000000, -0.0001317700000000, 0.0001357200000000 ] - [ 0.0002513100000000, -0.0002142300000000, -0.0000293100000000 ] - [ -0.0003701000000000, 0.0013525000000000, 0.0005416900000000 ] - [ 0.0001130500000000, 0.0002676900000000, 0.0004466500000000 ] - [ -0.0000283500000000, -0.0003395500000000, 0.0002221000000000 ] - [ 0.0002077600000000, -0.0004317800000000, 0.0000099600000000 ] - [ -0.0008269600000000, -0.0004767600000000, -0.0004995500000000 ] - [ 0.0002101000000000, 0.0003309900000000, 0.0001660000000000 ] - [ 0.0002834000000000, 0.0001935800000000, -0.0002451700000000 ] - [ 0.0000705500000000, -0.0000097900000000, -0.0001824900000000 ] - [ 0.0000674300000000, -0.0000875100000000, -0.0000828600000000 ] - [ -0.0000315700000000, -0.0002405400000000, -0.0000626000000000 ] - [ -0.0000920800000000, -0.0001654200000000, -0.0002834600000000 ] - [ -0.0001240800000000, 0.0003479800000000, 0.0001086200000000 ] - [ 0.0000383000000000, -0.0002426500000000, 0.0005211100000000 ] - [ -0.0004699200000000, 0.0015340900000000, -0.0011987200000000 ] - [ 0.0005374200000000, -0.0010055900000000, 0.0009374400000000 ] - [ 0.0000872900000000, -0.0000416000000000, 0.0001548000000000 ] - [ 0.0000633000000000, -0.0001057100000000, 0.0001717400000000 ] - [ 0.0000220800000000, 0.0000990300000000, -0.0003982300000000 ] - [ -0.0003942200000000, -0.0000425600000000, -0.0000627400000000 ] - [ -0.0000812000000000, 0.0005946000000000, 0.0004059100000000 ] - [ -0.0000516600000000, -0.0000028000000000, -0.0000874500000000 ] - [ 0.0001101700000000, 0.0002352600000000, -0.0000446600000000 ] - [ 0.0001894700000000, -0.0002855100000000, -0.0000010500000000 ] - [ -0.0000990900000000, 0.0001268100000000, -0.0001791000000000 ] - [ -0.0004667100000000, 0.0002305900000000, 0.0001609400000000 ] - [ -0.0001434600000000, -0.0002634300000000, 0.0001034800000000 ] - [ 0.0000033500000000, -0.0001935000000000, 0.0006004800000000 ] - [ 0.0000201200000000, 0.0000758500000000, -0.0001066200000000 ] - [ -0.0002597400000000, 0.0003987000000000, 0.0001819800000000 ] - [ 0.0002252600000000, 0.0000790700000000, -0.0008697700000000 ] - [ -0.0001965200000000, -0.0005682200000000, 0.0000987500000000 ] - [ -0.0001599000000000, -0.0001207600000000, -0.0000763200000000 ] - [ -0.0002465700000000, 0.0004339300000000, -0.0001181100000000 ] - [ 0.0000294200000000, 0.0000588600000000, 0.0000822600000000 ] - [ 0.0001574600000000, -0.0003616600000000, 0.0004218600000000 ] - [ 0.0000313200000000, -0.0001820700000000, -0.0001954800000000 ] - [ 0.0000197600000000, -0.0000477500000000, -0.0000352400000000 ] - [ 0.0059128600000000, -0.0175741500000000, 0.0007096000000000 ] - [ -0.0004547000000000, 0.0010687100000000, -0.0013191700000000 ] - [ -0.0001578200000000, 0.0003299400000000, 0.0002103700000000 ] - [ -0.0003207300000000, -0.0001582800000000, -0.0001735300000000 ] - [ 0.0008618000000000, -0.0020819000000000, 0.0000355500000000 ] - [ -0.0010347300000000, 0.0011070500000000, -0.0007017000000000 ] - [ -0.0001728300000000, 0.0003018500000000, 0.0001331800000000 ] - [ -0.0173630800000000, -0.1046977700000000, 0.0037431600000000 ] - [ 0.0002229100000000, 0.0000214400000000, 0.0001105200000000 ] - [ -0.0001124500000000, 0.0001838400000000, 0.0002024000000000 ] - [ -0.0001053000000000, 0.0003410600000000, -0.0000221500000000 ] - [ -0.0002366700000000, -0.0003199500000000, -0.0000228600000000 ] - [ -0.0002331900000000, -0.0009855100000000, 0.0004005800000000 ] - [ -0.0004728600000000, 0.0015127100000000, 0.0003713600000000 ] - [ 0.0000008300000000, 0.0001678900000000, -0.0000419200000000 ] - [ -0.0001616400000000, -0.0005769100000000, 0.0000300000000000 ] - [ 0.0002703200000000, -0.0000270100000000, -0.0002576400000000 ] - [ -0.0001411000000000, 0.0005756500000000, -0.0001084100000000 ] - [ -0.0000763700000000, 0.0002226500000000, -0.0000253600000000 ] - [ -0.0021545700000000, -0.0025907800000000, 0.0012354100000000 ] - [ 0.0000170200000000, 0.0000289500000000, 0.0000749200000000 ] - [ -0.0000120000000000, 0.0005854100000000, -0.0000165400000000 ] - [ 0.0000684200000000, 0.0001472300000000, -0.0000320800000000 ] - [ -0.0002140700000000, 0.0001194500000000, 0.0000692300000000 ] - [ -0.0027339700000000, -0.0023583800000000, -0.0014407400000000 ] - [ 0.0001921500000000, 0.0000620300000000, -0.0001678900000000 ] - [ 0.0002661900000000, 0.0002448500000000, 0.0000655900000000 ] - [ -0.0003953300000000, 0.0001593000000000, 0.0002701900000000 ] - [ 0.0003456300000000, -0.0015811800000000, 0.0010351100000000 ] - [ 0.0004830300000000, 0.0001758300000000, 0.0003485700000000 ] - [ 0.0000400200000000, 0.0002413300000000, -0.0000513800000000 ] - [ -0.0000398100000000, -0.0001752600000000, -0.0001329600000000 ] - [ 0.0031943200000000, 0.0025448200000000, -0.0013836600000000 ] - [ -0.0001145300000000, 0.0002391100000000, 0.0000363300000000 ] - [ -0.0001277800000000, 0.0003286100000000, -0.0001342200000000 ] - [ 0.0008586700000000, 0.0011258700000000, 0.0009500500000000 ] - [ 0.0002856000000000, -0.0019817300000000, -0.0014556300000000 ] - [ -0.0000120400000000, 0.0003337500000000, 0.0001666900000000 ] - [ -0.0000146500000000, 0.0001982100000000, 0.0001202000000000 ] - [ 0.0000528400000000, 0.0002056500000000, -0.0000106400000000 ] - [ 0.0037260400000000, 0.0035378400000000, 0.0014026500000000 ] - [ 0.0000928200000000, -0.0001285400000000, 0.0000383100000000 ] - [ -0.0007511700000000, 0.0018763200000000, 0.0001643900000000 ] - [ 0.0002672000000000, 0.0002984300000000, 0.0002111600000000 ] - [ 0.0007592300000000, 0.0014872200000000, -0.0013553900000000 ] - [ -0.0004302300000000, -0.0003855300000000, 0.0001254400000000 ] - [ -0.0000619000000000, 0.0001792600000000, -0.0001187100000000 ]- atom: 89 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005766600000000, -0.0003333400000000, 0.0001780700000000 ] - [ -0.0001470800000000, -0.0001865100000000, 0.0003528000000000 ] - [ -0.0000395600000000, 0.0007901800000000, 0.0003188800000000 ] - [ 0.0001857200000000, 0.0001540700000000, 0.0000167000000000 ] - [ -0.0005455400000000, -0.0002803100000000, 0.0000358300000000 ] - [ 0.0000539100000000, -0.0005011900000000, 0.0000994600000000 ] - [ -0.0001912800000000, 0.0009367100000000, -0.0003322900000000 ] - [ 0.0000353400000000, 0.0001813300000000, -0.0000239300000000 ] - [ 0.0002370600000000, 0.0000915000000000, 0.0001558300000000 ] - [ -0.0001289600000000, -0.0003820600000000, -0.0004204400000000 ] - [ -0.0007449500000000, 0.0008104300000000, 0.0004576800000000 ] - [ -0.0000681700000000, 0.0001770100000000, -0.0000459300000000 ] - [ 0.0000486800000000, -0.0004080700000000, 0.0001204000000000 ] - [ -0.0000955000000000, -0.0000604800000000, -0.0003507300000000 ] - [ 0.0001364900000000, 0.0002127500000000, -0.0000165500000000 ] - [ -0.0001718200000000, 0.0000456900000000, -0.0002925100000000 ] - [ -0.0000843600000000, -0.0001015100000000, -0.0000985900000000 ] - [ 0.0007562500000000, -0.0029694100000000, -0.0002273200000000 ] - [ 0.0000352300000000, 0.0002738600000000, -0.0002037400000000 ] - [ 0.0000369300000000, 0.0002127700000000, -0.0000210500000000 ] - [ -0.0181845000000000, -0.0134328900000000, -0.0078601100000000 ] - [ 0.0001253900000000, -0.0004670900000000, -0.0001902600000000 ] - [ -0.0000913400000000, 0.0002403900000000, 0.0001004500000000 ] - [ -0.0000958200000000, 0.0000866500000000, -0.0000205100000000 ] - [ 0.0012628800000000, -0.0027925400000000, 0.0009123300000000 ] - [ 0.0000250500000000, -0.0000713900000000, -0.0001041700000000 ] - [ -0.0001143600000000, 0.0004229500000000, 0.0000975900000000 ] - [ -0.0002821900000000, -0.0001758900000000, -0.0000945700000000 ] - [ 0.0133338700000000, -0.0408375300000000, 0.0237595200000000 ] - [ -0.0000355200000000, -0.0003183800000000, -0.0000537600000000 ] - [ 0.0001397200000000, 0.0006325400000000, -0.0000380900000000 ] - [ -0.0000798400000000, -0.0000512400000000, -0.0001298700000000 ] - [ 0.0000513100000000, 0.0000505700000000, 0.0002301400000000 ] - [ -0.0000444200000000, 0.0000915700000000, -0.0001788800000000 ] - [ 0.0001048100000000, 0.0002850700000000, -0.0000725400000000 ] - [ 0.0002319400000000, 0.0000058200000000, -0.0000473900000000 ] - [ -0.0208316600000000, -0.0154272800000000, 0.0099809800000000 ] - [ 0.0002303900000000, -0.0000475100000000, 0.0002609100000000 ] - [ -0.0001678400000000, 0.0003527500000000, 0.0001386200000000 ] - [ -0.0001996300000000, 0.0000125700000000, -0.0000872100000000 ] - [ -0.0000992300000000, -0.0000571400000000, -0.0000522900000000 ] - [ 0.0139043100000000, -0.0419057200000000, -0.0241851700000000 ] - [ 0.0000971400000000, 0.0000450400000000, -0.0001321700000000 ] - [ 0.0000226800000000, 0.0003042700000000, 0.0000260200000000 ] - [ 0.0003579200000000, -0.0014338800000000, -0.0009379500000000 ] - [ -0.0001276600000000, -0.0001900800000000, -0.0000444200000000 ] - [ 0.0000421200000000, 0.0002617900000000, 0.0001815500000000 ] - [ -0.0001944900000000, 0.0005114600000000, -0.0004139900000000 ] - [ 0.0007028800000000, 0.0005278900000000, 0.0001861200000000 ] - [ -0.0003345000000000, -0.0003779600000000, 0.0001462300000000 ] - [ -0.0001570000000000, -0.0001411600000000, 0.0005607800000000 ] - [ 0.0000548200000000, -0.0000388000000000, -0.0001305800000000 ] - [ 0.0000887200000000, -0.0000300300000000, 0.0000536400000000 ] - [ 0.0001980300000000, 0.0003750100000000, 0.0000846300000000 ] - [ -0.0000657000000000, 0.0000469600000000, 0.0003107300000000 ] - [ -0.0000344300000000, -0.0002291400000000, -0.0001382000000000 ] - [ -0.0001505900000000, 0.0000295800000000, -0.0001795800000000 ] - [ 0.0003577100000000, -0.0013169700000000, 0.0008616500000000 ] - [ -0.0004279900000000, 0.0008002900000000, -0.0012922400000000 ] - [ 0.0000250400000000, 0.0002568900000000, 0.0001889500000000 ] - [ 0.0001399500000000, 0.0002254400000000, 0.0000506600000000 ] - [ 0.0001826800000000, -0.0002149300000000, 0.0001732800000000 ] - [ 0.0001908900000000, 0.0001613200000000, -0.0001623600000000 ] - [ -0.0001254000000000, -0.0007153400000000, -0.0001900600000000 ] - [ 0.0001148900000000, -0.0001501400000000, -0.0003215000000000 ] - [ -0.0000489600000000, -0.0000826500000000, 0.0004598300000000 ] - [ -0.0002469900000000, 0.0001365800000000, 0.0004154100000000 ] - [ 0.0000374200000000, 0.0000285400000000, -0.0002301700000000 ] - [ 0.0003990100000000, -0.0002680600000000, -0.0003836100000000 ] - [ 0.0000756400000000, 0.0003006500000000, 0.0001220500000000 ] - [ 0.0000647200000000, 0.0001564600000000, -0.0003845900000000 ] - [ 0.0000472100000000, -0.0000382000000000, -0.0001177700000000 ] - [ 0.0005899600000000, -0.0003094500000000, -0.0002330700000000 ] - [ 0.0000958200000000, -0.0001613200000000, 0.0009136200000000 ] - [ -0.0001245800000000, 0.0006560000000000, -0.0000473300000000 ] - [ -0.0001622600000000, 0.0000354300000000, 0.0000230200000000 ] - [ 0.0001917600000000, -0.0002969400000000, -0.0004231100000000 ] - [ -0.0000846000000000, -0.0001941600000000, 0.0004553600000000 ] - [ -0.0001018600000000, 0.0004967500000000, 0.0001210800000000 ] - [ 0.0000238200000000, 0.0000471800000000, -0.0003440300000000 ] - [ 0.0001195400000000, 0.0002299800000000, 0.0004571000000000 ] - [ -0.0057737200000000, 0.0173947600000000, -0.0011599700000000 ] - [ 0.0003170900000000, -0.0008949600000000, 0.0009067200000000 ] - [ 0.0000181700000000, -0.0005077900000000, 0.0002092100000000 ] - [ 0.0006527100000000, 0.0000025300000000, 0.0004868400000000 ] - [ -0.0005322300000000, 0.0022397400000000, -0.0003525000000000 ] - [ 0.0007104600000000, -0.0012719300000000, 0.0003905900000000 ] - [ -0.0001564500000000, -0.0001430400000000, 0.0001784300000000 ] - [ 0.0176140200000000, 0.1042184600000000, -0.0018912200000000 ] - [ -0.0001666900000000, 0.0002421100000000, 0.0000489200000000 ] - [ 0.0000561200000000, -0.0004464900000000, -0.0000445000000000 ] - [ 0.0000491500000000, -0.0000778300000000, -0.0001363100000000 ] - [ 0.0002179000000000, 0.0003465200000000, 0.0000071800000000 ] - [ 0.0002209500000000, 0.0009514000000000, -0.0003798900000000 ] - [ 0.0004812100000000, -0.0014694600000000, -0.0003520700000000 ] - [ 0.0000136900000000, -0.0001971300000000, 0.0000245400000000 ] - [ 0.0001796500000000, 0.0004914200000000, 0.0001084600000000 ] - [ -0.0002509800000000, 0.0001198500000000, 0.0001178200000000 ] - [ 0.0001201800000000, -0.0006628100000000, -0.0000301000000000 ] - [ 0.0000581100000000, -0.0001334300000000, 0.0001649300000000 ] - [ 0.0020418800000000, 0.0024825000000000, -0.0011918900000000 ] - [ -0.0001378100000000, 0.0000766300000000, -0.0001138600000000 ] - [ 0.0001336500000000, -0.0006892900000000, -0.0000270300000000 ] - [ 0.0000535900000000, -0.0000416800000000, 0.0000723900000000 ] - [ -0.0000031700000000, 0.0000035600000000, 0.0000753000000000 ] - [ 0.0025055300000000, 0.0022425400000000, 0.0013009200000000 ] - [ 0.0000246600000000, 0.0000607000000000, 0.0000245100000000 ] - [ -0.0000492600000000, -0.0003655200000000, 0.0000763800000000 ] - [ 0.0003043800000000, -0.0002033000000000, -0.0002637900000000 ] - [ -0.0004358900000000, 0.0016351700000000, -0.0010430400000000 ] - [ -0.0003930200000000, -0.0002241700000000, -0.0003537100000000 ] - [ 0.0000482800000000, -0.0001936900000000, 0.0000572600000000 ] - [ 0.0000022100000000, 0.0001945600000000, 0.0000031800000000 ] - [ -0.0032105800000000, -0.0025433800000000, 0.0015019600000000 ] - [ 0.0001517100000000, -0.0002191800000000, 0.0000942400000000 ] - [ 0.0001645500000000, -0.0003463100000000, 0.0000026700000000 ] - [ -0.0009598800000000, -0.0008862900000000, -0.0009136000000000 ] - [ -0.0003919300000000, 0.0017296400000000, 0.0014150300000000 ] - [ 0.0001186700000000, -0.0000873100000000, -0.0002032400000000 ] - [ 0.0001237400000000, -0.0004425300000000, -0.0000801700000000 ] - [ -0.0001430000000000, -0.0000334200000000, -0.0000465800000000 ] - [ -0.0038353500000000, -0.0037299300000000, -0.0013598600000000 ] - [ -0.0000007500000000, 0.0003010100000000, 0.0000201200000000 ] - [ 0.0008493900000000, -0.0020563700000000, -0.0002341100000000 ] - [ -0.0002246300000000, -0.0002793800000000, -0.0000292400000000 ] - [ -0.0007266200000000, -0.0014978900000000, 0.0011708700000000 ] - [ 0.0003901100000000, 0.0004021200000000, -0.0003075200000000 ] - [ 0.0000217900000000, -0.0001947300000000, 0.0003024600000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0004423600000000, -0.0003903900000000, 0.0005428500000000 ] - [ -0.0001747700000000, -0.0000729400000000, -0.0007174200000000 ] - [ -0.0001295200000000, -0.0008583500000000, -0.0003243600000000 ] - [ 0.0001631500000000, 0.0000020800000000, -0.0002057600000000 ] - [ -0.0006518500000000, -0.0001549000000000, 0.0001932300000000 ] - [ 0.0001078600000000, 0.0001575500000000, -0.0005853100000000 ] - [ -0.0000104100000000, 0.0002947100000000, 0.0006981000000000 ] - [ 0.0000057500000000, 0.0000986600000000, -0.0000193000000000 ] - [ -0.0000438000000000, -0.0004714100000000, 0.0004178200000000 ] - [ 0.0001053800000000, 0.0000061900000000, -0.0006889500000000 ] - [ 0.0007230200000000, -0.0006353300000000, -0.0002659400000000 ] - [ -0.0000634100000000, 0.0000520400000000, -0.0002441300000000 ] - [ -0.0002980500000000, 0.0001072700000000, -0.0005245200000000 ] - [ -0.0000949400000000, 0.0000483100000000, -0.0000360800000000 ] - [ 0.0001537500000000, 0.0001012600000000, -0.0000515700000000 ] - [ 0.0001736800000000, 0.0002564500000000, 0.0007663500000000 ] - [ 0.0000659200000000, 0.0000830300000000, -0.0003626000000000 ] - [ 0.0017241100000000, 0.0009267500000000, -0.0018434100000000 ] - [ 0.0000529900000000, 0.0004734900000000, -0.0003699000000000 ] - [ 0.0000273100000000, 0.0001102300000000, 0.0001443500000000 ] - [ 0.0230099300000000, 0.0074951800000000, 0.0165826500000000 ] - [ 0.0000876100000000, -0.0002677500000000, -0.0001238000000000 ] - [ -0.0000627900000000, 0.0000680300000000, 0.0001764200000000 ] - [ -0.0000071000000000, -0.0000738300000000, -0.0004219500000000 ] - [ -0.0016868400000000, -0.0002310100000000, -0.0014961600000000 ] - [ 0.0000257300000000, 0.0000142400000000, -0.0003497700000000 ] - [ -0.0000801300000000, 0.0002277300000000, 0.0004016800000000 ] - [ -0.0002897400000000, 0.0002454500000000, -0.0004887100000000 ] - [ 0.0098258800000000, -0.0256422400000000, 0.0275939100000000 ] - [ -0.0000048600000000, -0.0003061700000000, -0.0003835000000000 ] - [ -0.0000065700000000, 0.0001360700000000, 0.0001877800000000 ] - [ -0.0000305900000000, 0.0000256100000000, -0.0003857300000000 ] - [ -0.0001696600000000, -0.0004598700000000, 0.0000795700000000 ] - [ -0.0000585400000000, 0.0002329000000000, -0.0003080700000000 ] - [ 0.0001607900000000, 0.0000065200000000, -0.0000916500000000 ] - [ 0.0002234300000000, 0.0000326800000000, -0.0001592900000000 ] - [ -0.0236079000000000, -0.0104064700000000, 0.0166997500000000 ] - [ 0.0000041000000000, -0.0001722400000000, -0.0000965300000000 ] - [ -0.0002403300000000, 0.0002371200000000, 0.0001373000000000 ] - [ -0.0002628300000000, -0.0001841100000000, -0.0005649200000000 ] - [ -0.0001186800000000, -0.0000657300000000, -0.0003655000000000 ] - [ -0.0115113700000000, 0.0283781200000000, 0.0276397100000000 ] - [ 0.0001185400000000, -0.0000048200000000, -0.0004584600000000 ] - [ -0.0000753300000000, 0.0002043000000000, 0.0001980600000000 ] - [ -0.0001760000000000, 0.0002284100000000, -0.0008034900000000 ] - [ 0.0000066100000000, 0.0002215500000000, -0.0002372900000000 ] - [ 0.0000971400000000, 0.0002173100000000, 0.0002924800000000 ] - [ -0.0001432900000000, 0.0005592700000000, -0.0001111600000000 ] - [ 0.0001250600000000, 0.0001251300000000, 0.0002525900000000 ] - [ 0.0009295600000000, 0.0013385200000000, 0.0011070700000000 ] - [ 0.0001405900000000, 0.0000526600000000, 0.0001850500000000 ] - [ 0.0000538400000000, -0.0001772000000000, -0.0002967600000000 ] - [ 0.0000626600000000, -0.0000162700000000, -0.0003055200000000 ] - [ 0.0003402700000000, 0.0003555700000000, -0.0006474100000000 ] - [ -0.0001173900000000, -0.0000691800000000, 0.0004021500000000 ] - [ 0.0004795000000000, 0.0000589400000000, 0.0006713300000000 ] - [ -0.0001539900000000, 0.0000162000000000, -0.0001283700000000 ] - [ -0.0000645200000000, 0.0001277700000000, -0.0010861900000000 ] - [ -0.0004930700000000, 0.0015123500000000, -0.0012601300000000 ] - [ 0.0000758000000000, 0.0000918800000000, 0.0003139200000000 ] - [ 0.0001408600000000, 0.0001343300000000, -0.0003248700000000 ] - [ -0.0000662000000000, -0.0000290400000000, -0.0000453600000000 ] - [ -0.0000635200000000, 0.0002248800000000, -0.0003564700000000 ] - [ -0.0002789400000000, -0.0011323400000000, -0.0011315100000000 ] - [ -0.0001730400000000, -0.0000505200000000, -0.0000251500000000 ] - [ -0.0000806500000000, -0.0001974400000000, 0.0004968300000000 ] - [ 0.0003228000000000, 0.0003008400000000, 0.0011838800000000 ] - [ 0.0000132500000000, -0.0000168000000000, -0.0002050900000000 ] - [ 0.0009051300000000, 0.0006361300000000, -0.0002098600000000 ] - [ -0.0004088000000000, -0.0008252000000000, -0.0006660400000000 ] - [ 0.0000059000000000, -0.0001526500000000, -0.0000899500000000 ] - [ -0.0000313800000000, 0.0000514600000000, -0.0001293900000000 ] - [ -0.0005744900000000, -0.0002467500000000, -0.0000142200000000 ] - [ -0.0000884600000000, -0.0013362900000000, -0.0019214700000000 ] - [ -0.0000153500000000, 0.0000150600000000, -0.0001335900000000 ] - [ -0.0002299500000000, -0.0000760700000000, -0.0002602600000000 ] - [ -0.0006582000000000, 0.0000153800000000, 0.0009976100000000 ] - [ -0.0000391100000000, -0.0002977400000000, -0.0005276500000000 ] - [ 0.0001558900000000, -0.0001998700000000, 0.0006780300000000 ] - [ 0.0000611800000000, 0.0000407500000000, -0.0006102000000000 ] - [ 0.0001092300000000, -0.0000605400000000, 0.0010252800000000 ] - [ 0.0004021000000000, -0.0015519600000000, 0.0180298700000000 ] - [ 0.0004058900000000, -0.0011785300000000, 0.0016033900000000 ] - [ 0.0000473700000000, -0.0002529000000000, -0.0003449800000000 ] - [ 0.0005037900000000, -0.0000148400000000, 0.0000297300000000 ] - [ 0.0003439700000000, -0.0003103800000000, 0.0009820400000000 ] - [ -0.0000306800000000, -0.0008056900000000, -0.0017878100000000 ] - [ -0.0002253000000000, 0.0000231600000000, 0.0001880800000000 ] - [ 0.0004762200000000, 0.0027403200000000, -0.0978593000000000 ] - [ -0.0000540700000000, 0.0001622000000000, 0.0005292800000000 ] - [ 0.0000479900000000, -0.0002549000000000, -0.0001037400000000 ] - [ 0.0000599400000000, 0.0000743100000000, 0.0004422700000000 ] - [ 0.0009126200000000, 0.0008833300000000, -0.0008022900000000 ] - [ 0.0000526800000000, -0.0002167200000000, 0.0014779200000000 ] - [ -0.0005770400000000, 0.0015529900000000, 0.0004623100000000 ] - [ -0.0000249100000000, -0.0000401900000000, 0.0003709800000000 ] - [ 0.0004629500000000, -0.0004066800000000, 0.0006987300000000 ] - [ -0.0000174800000000, -0.0005487600000000, 0.0006130700000000 ] - [ -0.0000231200000000, -0.0003724700000000, -0.0003193600000000 ] - [ 0.0000092100000000, -0.0001727900000000, 0.0000797600000000 ] - [ 0.0022945200000000, 0.0016933000000000, -0.0026749100000000 ] - [ 0.0000356000000000, 0.0000344800000000, 0.0004896400000000 ] - [ 0.0001701300000000, -0.0000358400000000, -0.0004169600000000 ] - [ 0.0000535400000000, 0.0000076500000000, 0.0003562800000000 ] - [ -0.0002398900000000, 0.0000909400000000, 0.0004188400000000 ] - [ -0.0030477600000000, -0.0020278700000000, -0.0032898600000000 ] - [ 0.0000170600000000, 0.0000758900000000, 0.0004391800000000 ] - [ -0.0000446600000000, -0.0000149400000000, -0.0001909200000000 ] - [ -0.0000933100000000, 0.0003812400000000, -0.0004253400000000 ] - [ 0.0014502900000000, -0.0008405800000000, 0.0016203600000000 ] - [ 0.0002980500000000, 0.0006798500000000, 0.0007423200000000 ] - [ 0.0000241600000000, -0.0000226900000000, 0.0001629300000000 ] - [ -0.0000814200000000, 0.0000235600000000, 0.0004637900000000 ] - [ -0.0027065500000000, -0.0002801100000000, -0.0022278400000000 ] - [ 0.0000106500000000, 0.0000444700000000, 0.0003483600000000 ] - [ -0.0002432200000000, -0.0002230300000000, -0.0007013300000000 ] - [ 0.0004816600000000, 0.0023815400000000, 0.0016824200000000 ] - [ -0.0016639800000000, 0.0010084000000000, 0.0017588000000000 ] - [ -0.0001071600000000, 0.0003272100000000, 0.0002577200000000 ] - [ 0.0001114800000000, 0.0000122000000000, 0.0003264900000000 ] - [ 0.0000779100000000, 0.0001396600000000, 0.0002177300000000 ] - [ 0.0034022200000000, 0.0003581900000000, -0.0030734600000000 ] - [ 0.0001216900000000, 0.0001348200000000, 0.0006119900000000 ] - [ 0.0012291400000000, -0.0023660500000000, -0.0004237100000000 ] - [ -0.0001243900000000, -0.0000574900000000, -0.0000685200000000 ] - [ -0.0005646800000000, -0.0019583100000000, 0.0016613700000000 ] - [ -0.0005185600000000, 0.0003558300000000, 0.0006543500000000 ] - [ 0.0000799200000000, -0.0002966900000000, 0.0003852300000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0002070400000000, 0.0003918500000000, -0.0004959100000000 ] - [ -0.0000681400000000, 0.0000712500000000, 0.0006629900000000 ] - [ 0.0003666700000000, 0.0008554500000000, 0.0002713800000000 ] - [ 0.0000762900000000, -0.0000042500000000, 0.0002541100000000 ] - [ 0.0006015700000000, 0.0000805400000000, -0.0002201100000000 ] - [ -0.0001568400000000, -0.0000843500000000, 0.0006100800000000 ] - [ 0.0000625200000000, -0.0003652600000000, -0.0006711800000000 ] - [ 0.0000446700000000, -0.0000268000000000, -0.0000090500000000 ] - [ 0.0001542300000000, 0.0004465500000000, -0.0004579900000000 ] - [ 0.0000078600000000, 0.0000228500000000, 0.0007233100000000 ] - [ -0.0008279000000000, 0.0006052700000000, 0.0003008400000000 ] - [ -0.0000467400000000, -0.0000256700000000, 0.0002040000000000 ] - [ -0.0000028300000000, 0.0000421200000000, 0.0005867800000000 ] - [ -0.0002050700000000, -0.0001988100000000, -0.0000310000000000 ] - [ 0.0001460600000000, 0.0000477100000000, -0.0000144200000000 ] - [ 0.0001241300000000, -0.0004057000000000, -0.0007027100000000 ] - [ -0.0000461700000000, -0.0001048000000000, 0.0003176500000000 ] - [ -0.0016996600000000, -0.0009032100000000, 0.0018947900000000 ] - [ -0.0000694300000000, -0.0004926300000000, 0.0004110000000000 ] - [ -0.0000467000000000, -0.0000893700000000, -0.0001884400000000 ] - [ -0.0225961400000000, -0.0073215700000000, -0.0168530700000000 ] - [ 0.0000884400000000, 0.0001760300000000, 0.0002902500000000 ] - [ -0.0001125100000000, 0.0000250400000000, -0.0000121600000000 ] - [ -0.0001684100000000, -0.0000191200000000, 0.0002539000000000 ] - [ 0.0017233500000000, 0.0003391900000000, 0.0015573800000000 ] - [ 0.0000155500000000, -0.0001237400000000, 0.0002927800000000 ] - [ 0.0000383600000000, -0.0001179000000000, -0.0004561700000000 ] - [ 0.0002454600000000, -0.0003552600000000, 0.0005405200000000 ] - [ -0.0102040700000000, 0.0268836000000000, -0.0279956600000000 ] - [ -0.0000398500000000, -0.0001051300000000, 0.0003785600000000 ] - [ 0.0000518400000000, 0.0002760400000000, -0.0001913000000000 ] - [ 0.0000756600000000, -0.0004365300000000, 0.0003854000000000 ] - [ 0.0000097700000000, 0.0004458300000000, 0.0000954800000000 ] - [ -0.0001006900000000, -0.0002179900000000, 0.0001273800000000 ] - [ -0.0000013000000000, -0.0000206100000000, -0.0000855900000000 ] - [ -0.0000648700000000, -0.0000184100000000, 0.0003364000000000 ] - [ 0.0235966000000000, 0.0103898500000000, -0.0170994700000000 ] - [ 0.0002734600000000, 0.0000577200000000, 0.0004281300000000 ] - [ -0.0000366900000000, -0.0001231700000000, 0.0001940300000000 ] - [ -0.0000144100000000, 0.0000698100000000, 0.0002292100000000 ] - [ -0.0001573800000000, -0.0000292500000000, 0.0003674900000000 ] - [ 0.0116005400000000, -0.0291800100000000, -0.0281839900000000 ] - [ 0.0001575000000000, -0.0000892800000000, 0.0004519600000000 ] - [ 0.0003515900000000, -0.0001094200000000, -0.0001950600000000 ] - [ 0.0001649500000000, -0.0003093300000000, 0.0004022200000000 ] - [ -0.0000199500000000, -0.0001447000000000, 0.0006321200000000 ] - [ -0.0000842500000000, -0.0002956000000000, 0.0001049300000000 ] - [ 0.0001550100000000, -0.0004790500000000, -0.0002870900000000 ] - [ -0.0002577300000000, -0.0000658400000000, -0.0005618000000000 ] - [ -0.0010511900000000, -0.0013825600000000, -0.0007891500000000 ] - [ -0.0000094300000000, 0.0000055200000000, 0.0001238900000000 ] - [ 0.0000768300000000, 0.0001202100000000, -0.0000143100000000 ] - [ 0.0000925500000000, -0.0000965900000000, 0.0002770600000000 ] - [ -0.0001799100000000, -0.0002341400000000, 0.0006706800000000 ] - [ -0.0000399000000000, -0.0000451500000000, -0.0003755100000000 ] - [ -0.0006379800000000, 0.0000515000000000, -0.0006989600000000 ] - [ 0.0000400400000000, -0.0002342400000000, 0.0004620900000000 ] - [ -0.0000506000000000, 0.0000950600000000, 0.0007428400000000 ] - [ 0.0005996600000000, -0.0017117200000000, 0.0009095100000000 ] - [ 0.0000385500000000, 0.0001261100000000, 0.0000227300000000 ] - [ 0.0000636200000000, -0.0000116300000000, 0.0005392000000000 ] - [ 0.0002705500000000, -0.0000916100000000, -0.0001776800000000 ] - [ -0.0001410000000000, -0.0001038900000000, 0.0001353900000000 ] - [ 0.0000728900000000, 0.0010034600000000, 0.0013493200000000 ] - [ 0.0002352400000000, -0.0001012900000000, -0.0003778100000000 ] - [ 0.0001400500000000, 0.0003461300000000, -0.0000907700000000 ] - [ -0.0003820900000000, -0.0004473900000000, -0.0007847400000000 ] - [ -0.0000741700000000, 0.0001697400000000, -0.0001989000000000 ] - [ -0.0009658400000000, -0.0006746700000000, -0.0000161600000000 ] - [ 0.0003384200000000, 0.0008578900000000, 0.0008864000000000 ] - [ 0.0000610500000000, 0.0001125200000000, 0.0003111000000000 ] - [ 0.0000977000000000, -0.0000117300000000, -0.0001007200000000 ] - [ 0.0009101900000000, 0.0003284300000000, -0.0000302900000000 ] - [ 0.0004126500000000, 0.0012364900000000, 0.0019345600000000 ] - [ -0.0003067900000000, 0.0000644800000000, 0.0001763800000000 ] - [ -0.0000929300000000, -0.0000033700000000, 0.0002121300000000 ] - [ 0.0006004900000000, 0.0001153900000000, -0.0015436800000000 ] - [ -0.0000164900000000, 0.0001644700000000, 0.0010632900000000 ] - [ -0.0001003300000000, 0.0003315100000000, -0.0001359300000000 ] - [ -0.0000054600000000, -0.0001731700000000, 0.0000665000000000 ] - [ 0.0000241400000000, 0.0002334200000000, -0.0006075700000000 ] - [ -0.0002611700000000, 0.0013702100000000, -0.0186563900000000 ] - [ -0.0005348900000000, 0.0013404200000000, -0.0020079400000000 ] - [ -0.0001804500000000, 0.0000826000000000, 0.0007597300000000 ] - [ -0.0001783300000000, -0.0001472600000000, 0.0002929000000000 ] - [ -0.0000193400000000, 0.0004695900000000, -0.0013028900000000 ] - [ -0.0002923400000000, 0.0006391600000000, 0.0014539500000000 ] - [ -0.0000985300000000, 0.0001403200000000, 0.0001309100000000 ] - [ -0.0004439700000000, -0.0028814700000000, 0.0992400300000000 ] - [ 0.0001062300000000, 0.0000996600000000, -0.0003781600000000 ] - [ -0.0001004500000000, -0.0000074700000000, 0.0002523900000000 ] - [ -0.0001118600000000, 0.0001875200000000, -0.0005944700000000 ] - [ -0.0009380600000000, -0.0008517000000000, 0.0007831500000000 ] - [ -0.0000714400000000, 0.0001731800000000, -0.0014419000000000 ] - [ 0.0005933200000000, -0.0015087000000000, -0.0004383300000000 ] - [ 0.0000455800000000, 0.0000048000000000, -0.0003966300000000 ] - [ -0.0004449900000000, 0.0003216400000000, -0.0005590600000000 ] - [ 0.0000365300000000, 0.0006382000000000, -0.0007561200000000 ] - [ 0.0000026700000000, 0.0002859800000000, 0.0001744500000000 ] - [ -0.0000266700000000, 0.0002603600000000, 0.0000587500000000 ] - [ -0.0024131600000000, -0.0017994700000000, 0.0027152200000000 ] - [ -0.0001588400000000, 0.0000720700000000, -0.0005213300000000 ] - [ -0.0000447300000000, -0.0000713900000000, 0.0003820400000000 ] - [ 0.0000723100000000, 0.0000993400000000, -0.0003255300000000 ] - [ 0.0000291600000000, 0.0000279000000000, -0.0002728900000000 ] - [ 0.0028301700000000, 0.0019101000000000, 0.0031527900000000 ] - [ 0.0001913600000000, 0.0000421200000000, -0.0005856900000000 ] - [ 0.0002537400000000, -0.0001037300000000, 0.0003345000000000 ] - [ 0.0000137500000000, -0.0004306400000000, 0.0004233200000000 ] - [ -0.0015207600000000, 0.0009018500000000, -0.0016335600000000 ] - [ -0.0002198500000000, -0.0007351000000000, -0.0007473900000000 ] - [ 0.0000530000000000, 0.0000763800000000, -0.0001596500000000 ] - [ 0.0000413000000000, -0.0000039700000000, -0.0005950300000000 ] - [ 0.0026671900000000, 0.0002592400000000, 0.0023642300000000 ] - [ 0.0000269800000000, -0.0000224300000000, -0.0002193500000000 ] - [ 0.0002818700000000, 0.0002025600000000, 0.0005693500000000 ] - [ -0.0005817400000000, -0.0021412100000000, -0.0016609900000000 ] - [ 0.0015468300000000, -0.0012628600000000, -0.0018022200000000 ] - [ 0.0002170800000000, -0.0000837100000000, -0.0002896900000000 ] - [ -0.0000000600000000, -0.0002554500000000, -0.0002941200000000 ] - [ -0.0001748400000000, 0.0000424900000000, -0.0002731800000000 ] - [ -0.0034961100000000, -0.0005344700000000, 0.0031362300000000 ] - [ -0.0000199600000000, 0.0000462900000000, -0.0005575200000000 ] - [ -0.0011276600000000, 0.0021840000000000, 0.0003609300000000 ] - [ 0.0001569100000000, 0.0000856400000000, 0.0002442100000000 ] - [ 0.0005852300000000, 0.0019352700000000, -0.0018522200000000 ] - [ 0.0004878000000000, -0.0003297700000000, -0.0008351400000000 ] - [ -0.0001106800000000, 0.0002687800000000, -0.0002055400000000 ]- atom: 93 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0616940900000000, 0.0045040100000000, 0.0050619700000000 ] - [ -0.0003249500000000, -0.0000417900000000, -0.0000374400000000 ] - [ 0.0000787900000000, 0.0000058400000000, -0.0000322900000000 ] - [ 0.0001126100000000, -0.0000505500000000, -0.0000040900000000 ] - [ 0.0012000500000000, 0.0003710000000000, 0.0009469500000000 ] - [ -0.0000742300000000, 0.0000292200000000, 0.0000266500000000 ] - [ -0.0000821900000000, 0.0000674800000000, 0.0000236300000000 ] - [ 0.0004689000000000, -0.0000931500000000, -0.0001071800000000 ] - [ 0.0328955200000000, -0.0294455500000000, -0.0029343500000000 ] - [ -0.0001101700000000, 0.0002634000000000, -0.0002506600000000 ] - [ -0.0001286800000000, -0.0000353400000000, -0.0000293100000000 ] - [ 0.0000291500000000, -0.0001429800000000, -0.0000323000000000 ] - [ -0.0001066900000000, 0.0001227200000000, 0.0000275500000000 ] - [ 0.0000181000000000, -0.0000782100000000, -0.0007906100000000 ] - [ 0.0003367200000000, -0.0004784800000000, -0.0003386300000000 ] - [ 0.0001893800000000, -0.0000373600000000, 0.0000469000000000 ] - [ 0.0000824300000000, -0.0000181800000000, -0.0000375900000000 ] - [ 0.0004029900000000, 0.0000183900000000, -0.0002653200000000 ] - [ -0.0000245200000000, 0.0000070000000000, 0.0000203200000000 ] - [ 0.0004874800000000, 0.0003899000000000, -0.0000755900000000 ] - [ -0.0007909300000000, -0.0004960100000000, -0.0004008400000000 ] - [ 0.0006415900000000, 0.0000084300000000, -0.0009626800000000 ] - [ 0.0003407300000000, -0.0001854100000000, 0.0002396600000000 ] - [ -0.0000723000000000, -0.0000399700000000, -0.0000902200000000 ] - [ -0.0003003900000000, 0.0004015900000000, 0.0004175800000000 ] - [ 0.0000128800000000, -0.0000382300000000, -0.0000743900000000 ] - [ -0.0002920600000000, -0.0010186400000000, -0.0000132000000000 ] - [ -0.0000414600000000, 0.0000015200000000, 0.0000043600000000 ] - [ -0.0012425600000000, 0.0009778400000000, 0.0004766600000000 ] - [ 0.0002013400000000, -0.0001714200000000, -0.0000405100000000 ] - [ -0.0000147900000000, -0.0001390000000000, 0.0001415800000000 ] - [ 0.0000049900000000, -0.0002155000000000, -0.0000146300000000 ] - [ 0.0001950900000000, 0.0019979500000000, 0.0017409600000000 ] - [ -0.0000874500000000, 0.0000088300000000, -0.0000951700000000 ] - [ -0.0009246100000000, 0.0002074300000000, 0.0000228500000000 ] - [ 0.0003508000000000, -0.0004115200000000, 0.0001234000000000 ] - [ -0.0006421300000000, 0.0008278900000000, -0.0002031100000000 ] - [ 0.0004917300000000, -0.0001821700000000, 0.0009431200000000 ] - [ 0.0000128800000000, -0.0003852600000000, 0.0004226900000000 ] - [ -0.0002140300000000, -0.0000366900000000, -0.0002035800000000 ] - [ 0.0000604900000000, -0.0001160300000000, -0.0000596700000000 ] - [ -0.0004299800000000, 0.0001921700000000, -0.0002892800000000 ] - [ 0.0001284700000000, -0.0000196900000000, -0.0000108100000000 ] - [ -0.0003537300000000, -0.0005354100000000, 0.0002001600000000 ] - [ 0.0001324400000000, -0.0001827400000000, -0.0000069600000000 ] - [ 0.0002177900000000, 0.0000839400000000, 0.0000436600000000 ] - [ 0.0000342600000000, -0.0003083600000000, 0.0002614400000000 ] - [ -0.0000705300000000, 0.0001652600000000, -0.0002116400000000 ] - [ 0.0001897100000000, 0.0022053900000000, 0.0013420700000000 ] - [ -0.0005518700000000, 0.0006373300000000, 0.0003493100000000 ] - [ -0.0003852600000000, 0.0000965200000000, -0.0000091000000000 ] - [ 0.0001000900000000, -0.0000357400000000, -0.0006435500000000 ] - [ 0.0000660400000000, 0.0000718400000000, -0.0000095800000000 ] - [ -0.0005824900000000, 0.0002896300000000, 0.0000344600000000 ] - [ -0.0003046000000000, -0.0000842000000000, 0.0001795300000000 ] - [ 0.0001600500000000, 0.0000702500000000, 0.0000065200000000 ] - [ 0.0001885100000000, -0.0001147700000000, 0.0000884700000000 ] - [ -0.0001070400000000, 0.0003206700000000, 0.0000993200000000 ] - [ 0.0000365400000000, -0.0000623200000000, -0.0001498800000000 ] - [ -0.0000595700000000, -0.0003231400000000, 0.0000037800000000 ] - [ 0.0000496600000000, 0.0000329700000000, 0.0000507000000000 ] - [ 0.0002800700000000, -0.0002645300000000, -0.0001483300000000 ] - [ 0.0004067700000000, -0.0005901500000000, 0.0002464600000000 ] - [ -0.0013745200000000, -0.0002273400000000, -0.0003161400000000 ] - [ 0.0001338100000000, -0.0008123500000000, -0.0009271500000000 ] - [ 0.0000171700000000, 0.0000952000000000, 0.0002387800000000 ] - [ -0.0003820900000000, 0.0003885500000000, 0.0001051800000000 ] - [ -0.0001644800000000, 0.0006805400000000, 0.0000124800000000 ] - [ 0.0003743400000000, -0.0006884400000000, -0.0010841800000000 ] - [ -0.0002210800000000, -0.0001560500000000, -0.0000570700000000 ] - [ -0.0002023100000000, -0.0000138500000000, 0.0000883100000000 ] - [ 0.0001162000000000, -0.0001236100000000, -0.0001072100000000 ] - [ 0.0077834600000000, 0.0066620400000000, -0.0112106200000000 ] - [ -0.0005191300000000, 0.0001407100000000, -0.0008289200000000 ] - [ -0.0000817200000000, -0.0000013700000000, 0.0000387900000000 ] - [ -0.0001282200000000, -0.0001710600000000, -0.0000274300000000 ] - [ 0.0080878000000000, 0.0042113700000000, 0.0084708700000000 ] - [ -0.0000669700000000, -0.0001064700000000, 0.0000465700000000 ] - [ -0.0001315100000000, 0.0002515700000000, 0.0003078500000000 ] - [ 0.0000635500000000, -0.0001509400000000, -0.0003732200000000 ] - [ -0.0001278400000000, -0.0000137900000000, 0.0003685700000000 ] - [ 0.0001961200000000, -0.0007151600000000, -0.0006571700000000 ] - [ -0.0000596300000000, 0.0000152300000000, -0.0002974000000000 ] - [ -0.0007249400000000, 0.0008591000000000, 0.0003066300000000 ] - [ -0.0013325500000000, -0.0009193900000000, 0.0013240800000000 ] - [ 0.0001735600000000, 0.0000206800000000, -0.0002727300000000 ] - [ -0.0001018400000000, -0.0001700600000000, -0.0001176900000000 ] - [ 0.0000533000000000, 0.0005055500000000, 0.0005198700000000 ] - [ 0.0016060200000000, -0.0003582400000000, 0.0008413600000000 ] - [ -0.0012338000000000, 0.0003576100000000, 0.0000178500000000 ] - [ 0.0003731000000000, 0.0003481800000000, -0.0005072000000000 ] - [ 0.0000229000000000, 0.0001249300000000, -0.0000443500000000 ] - [ -0.1219212400000000, 0.0177401300000000, -0.0016652400000000 ] - [ -0.0000053700000000, -0.0003202700000000, 0.0004960000000000 ] - [ 0.0000590000000000, 0.0000280600000000, 0.0001367200000000 ] - [ 0.0000374700000000, 0.0000797500000000, 0.0000721100000000 ] - [ -0.0002661200000000, -0.0002987700000000, 0.0000245900000000 ] - [ 0.0001986700000000, 0.0002106300000000, 0.0000098000000000 ] - [ 0.0002608500000000, 0.0000188500000000, -0.0000705000000000 ] - [ 0.0000249600000000, 0.0000010600000000, -0.0000248900000000 ] - [ 0.0007737300000000, -0.0061002000000000, -0.0057144300000000 ] - [ 0.0001218500000000, 0.0001772400000000, -0.0000043500000000 ] - [ 0.0003708900000000, 0.0000194200000000, -0.0000951100000000 ] - [ 0.0001970500000000, 0.0000963600000000, 0.0000697800000000 ] - [ 0.0000114100000000, 0.0001935700000000, 0.0003040300000000 ] - [ 0.0003403700000000, 0.0006171400000000, 0.0002740600000000 ] - [ -0.0000296600000000, -0.0000655600000000, -0.0000094700000000 ] - [ 0.0000227200000000, -0.0022843200000000, 0.0023878800000000 ] - [ 0.0028081500000000, 0.0030722000000000, 0.0038697800000000 ] - [ 0.0002931500000000, 0.0004270000000000, -0.0002548100000000 ] - [ -0.0003135800000000, -0.0001859900000000, -0.0000137900000000 ] - [ 0.0000332600000000, -0.0001240800000000, 0.0001273300000000 ] - [ -0.0002273600000000, -0.0002251200000000, 0.0000668600000000 ] - [ 0.0050187300000000, 0.0011350300000000, 0.0042285500000000 ] - [ 0.0000406100000000, 0.0000765000000000, 0.0001214600000000 ] - [ 0.0001307300000000, 0.0000629900000000, -0.0000714900000000 ] - [ 0.0032561500000000, 0.0011751400000000, -0.0028540200000000 ] - [ -0.0011814000000000, -0.0039854600000000, 0.0039969500000000 ] - [ 0.0003146900000000, 0.0003423400000000, 0.0000140500000000 ] - [ 0.0000751200000000, -0.0001060800000000, 0.0000072400000000 ] - [ -0.0000150400000000, -0.0000203400000000, -0.0000834400000000 ] - [ -0.0002897100000000, -0.0002804300000000, -0.0000810100000000 ] - [ 0.0002052300000000, 0.0000254100000000, 0.0000595700000000 ] - [ 0.0032591200000000, 0.0027894200000000, -0.0038878000000000 ] - [ 0.0000198400000000, -0.0021816000000000, -0.0022386700000000 ] - [ -0.0000547100000000, -0.0001913700000000, 0.0000017400000000 ] - [ 0.0002294000000000, -0.0000762000000000, -0.0000710100000000 ] - [ 0.0000723900000000, 0.0001264800000000, -0.0000074000000000 ]- atom: 93 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0590109000000000, -0.0042659700000000, -0.0047078300000000 ] - [ 0.0000807700000000, 0.0000366500000000, -0.0000174100000000 ] - [ 0.0001652900000000, -0.0000004400000000, -0.0000207900000000 ] - [ 0.0001307500000000, 0.0000435500000000, 0.0000573700000000 ] - [ -0.0012536200000000, -0.0004390300000000, -0.0009630300000000 ] - [ 0.0000197300000000, 0.0000372000000000, 0.0000020200000000 ] - [ 0.0001366700000000, -0.0001337300000000, 0.0000052100000000 ] - [ -0.0004148000000000, 0.0001579200000000, 0.0000772100000000 ] - [ -0.0334683100000000, 0.0305039300000000, 0.0030089700000000 ] - [ 0.0002231900000000, -0.0002372300000000, 0.0002831100000000 ] - [ 0.0000131300000000, 0.0000101700000000, 0.0000643900000000 ] - [ -0.0001438300000000, 0.0001663900000000, -0.0000028700000000 ] - [ -0.0001864900000000, 0.0000251400000000, 0.0000378500000000 ] - [ -0.0003132600000000, -0.0000662700000000, 0.0007267700000000 ] - [ -0.0000438400000000, 0.0006248700000000, 0.0002716800000000 ] - [ 0.0001042900000000, -0.0001116600000000, 0.0000190200000000 ] - [ -0.0000769300000000, 0.0000067700000000, -0.0000060600000000 ] - [ -0.0003891800000000, -0.0000028700000000, 0.0003167000000000 ] - [ 0.0000197200000000, -0.0000189000000000, 0.0000230900000000 ] - [ -0.0004929800000000, -0.0003824700000000, 0.0000312700000000 ] - [ 0.0009744100000000, 0.0005951400000000, 0.0002409800000000 ] - [ -0.0004719400000000, -0.0000973400000000, 0.0011186300000000 ] - [ -0.0005095200000000, 0.0002712700000000, -0.0000737900000000 ] - [ -0.0000958100000000, -0.0000482800000000, -0.0000743500000000 ] - [ 0.0003545300000000, -0.0002862900000000, -0.0003606400000000 ] - [ 0.0000447900000000, -0.0000751400000000, 0.0000201800000000 ] - [ 0.0002330800000000, 0.0011279900000000, -0.0000405300000000 ] - [ -0.0000155300000000, -0.0001158200000000, 0.0000499600000000 ] - [ 0.0011963100000000, -0.0005687300000000, -0.0004712100000000 ] - [ -0.0002467300000000, -0.0002387600000000, 0.0000309800000000 ] - [ 0.0000608600000000, 0.0005490600000000, -0.0001491400000000 ] - [ 0.0000416300000000, -0.0001960300000000, 0.0000234700000000 ] - [ -0.0003652000000000, -0.0019946600000000, -0.0015501200000000 ] - [ -0.0000699100000000, 0.0000110000000000, -0.0000792500000000 ] - [ 0.0010798700000000, -0.0002253700000000, -0.0001962800000000 ] - [ -0.0001915600000000, 0.0004285600000000, 0.0000524200000000 ] - [ 0.0009232900000000, -0.0007091600000000, -0.0001276900000000 ] - [ -0.0002083000000000, 0.0000677100000000, -0.0006146500000000 ] - [ -0.0002967900000000, 0.0004988400000000, -0.0000909400000000 ] - [ -0.0000698400000000, -0.0000790600000000, -0.0001282500000000 ] - [ -0.0003347900000000, 0.0000272700000000, 0.0000543600000000 ] - [ 0.0001559600000000, -0.0001044600000000, 0.0002976800000000 ] - [ 0.0001464800000000, -0.0000689000000000, 0.0000148900000000 ] - [ 0.0006223500000000, 0.0006100200000000, -0.0001960100000000 ] - [ -0.0001465400000000, 0.0001057100000000, -0.0003981100000000 ] - [ -0.0002294500000000, -0.0000036700000000, 0.0003579600000000 ] - [ -0.0000213200000000, 0.0002282700000000, 0.0001412400000000 ] - [ 0.0000843700000000, -0.0000875000000000, -0.0001916200000000 ] - [ -0.0003189800000000, -0.0021206400000000, -0.0016465500000000 ] - [ 0.0004263700000000, -0.0006875200000000, -0.0000367100000000 ] - [ 0.0005108400000000, -0.0000472100000000, 0.0003226900000000 ] - [ 0.0000247900000000, -0.0000138200000000, 0.0003268500000000 ] - [ 0.0000902000000000, -0.0001894600000000, -0.0000206500000000 ] - [ 0.0007391500000000, -0.0001721100000000, -0.0000038100000000 ] - [ 0.0001481800000000, -0.0000346500000000, -0.0001506600000000 ] - [ -0.0003153700000000, 0.0000463800000000, -0.0000343600000000 ] - [ -0.0002994000000000, -0.0000998200000000, 0.0002561000000000 ] - [ -0.0000040200000000, -0.0001063500000000, -0.0004433400000000 ] - [ 0.0000742300000000, -0.0001520500000000, -0.0001943500000000 ] - [ 0.0001678800000000, 0.0005271900000000, 0.0003321600000000 ] - [ 0.0001527600000000, 0.0000847400000000, 0.0001750900000000 ] - [ -0.0000771000000000, 0.0001456500000000, -0.0000789800000000 ] - [ -0.0006064600000000, 0.0007089000000000, -0.0004745300000000 ] - [ 0.0011792400000000, 0.0001139300000000, 0.0005456700000000 ] - [ -0.0000642500000000, 0.0006473700000000, 0.0005121900000000 ] - [ 0.0000447000000000, 0.0000585300000000, 0.0001697500000000 ] - [ 0.0003227200000000, -0.0005400600000000, 0.0003008500000000 ] - [ 0.0001020200000000, -0.0005236600000000, -0.0004218100000000 ] - [ -0.0004371600000000, 0.0006460800000000, 0.0008530900000000 ] - [ 0.0001542100000000, 0.0001928500000000, 0.0002802800000000 ] - [ 0.0002694200000000, -0.0000232900000000, 0.0001374600000000 ] - [ -0.0000485400000000, 0.0001597300000000, -0.0001172000000000 ] - [ -0.0073606200000000, -0.0065143700000000, 0.0110535900000000 ] - [ 0.0008392600000000, -0.0002275000000000, 0.0008802700000000 ] - [ -0.0002408000000000, 0.0000877100000000, 0.0000142000000000 ] - [ -0.0001941000000000, 0.0000833900000000, -0.0000251400000000 ] - [ -0.0080319000000000, -0.0040273400000000, -0.0089236600000000 ] - [ 0.0000113500000000, -0.0000291500000000, 0.0004927200000000 ] - [ 0.0001867800000000, -0.0001166900000000, 0.0002305600000000 ] - [ -0.0000084400000000, 0.0000144300000000, -0.0001662100000000 ] - [ 0.0002663100000000, 0.0001908600000000, 0.0000522800000000 ] - [ -0.0000593100000000, 0.0005397400000000, 0.0002407200000000 ] - [ -0.0000793600000000, 0.0001642200000000, -0.0001222300000000 ] - [ 0.0005881500000000, -0.0010326500000000, 0.0001132900000000 ] - [ 0.0016526000000000, 0.0007544900000000, -0.0010079600000000 ] - [ 0.0001554500000000, 0.0001367400000000, -0.0000390300000000 ] - [ -0.0002281300000000, 0.0000127400000000, -0.0001944400000000 ] - [ -0.0003806000000000, -0.0003440700000000, -0.0002038700000000 ] - [ -0.0015597300000000, 0.0000966200000000, -0.0010100200000000 ] - [ 0.0012860400000000, -0.0000966800000000, 0.0001426100000000 ] - [ -0.0004267700000000, -0.0006058300000000, 0.0006629000000000 ] - [ -0.0000789400000000, 0.0001379600000000, -0.0001150300000000 ] - [ 0.1194844600000000, -0.0191245000000000, 0.0012792700000000 ] - [ -0.0000067100000000, 0.0002910300000000, -0.0004775000000000 ] - [ -0.0000447100000000, 0.0000024100000000, -0.0001187400000000 ] - [ -0.0000225700000000, -0.0001084000000000, -0.0000896200000000 ] - [ 0.0002851200000000, 0.0002077500000000, 0.0001142900000000 ] - [ -0.0001784800000000, -0.0001228000000000, -0.0001497300000000 ] - [ -0.0002799400000000, -0.0001068600000000, -0.0000695000000000 ] - [ -0.0000443800000000, 0.0000883100000000, 0.0001649400000000 ] - [ -0.0008785100000000, 0.0059561500000000, 0.0057271500000000 ] - [ -0.0002431600000000, -0.0000732500000000, -0.0000355300000000 ] - [ -0.0002484300000000, -0.0001239400000000, 0.0000558600000000 ] - [ -0.0000749000000000, 0.0000091300000000, -0.0000295900000000 ] - [ -0.0002275000000000, -0.0000714000000000, -0.0001592900000000 ] - [ -0.0005516300000000, -0.0007395600000000, -0.0004239400000000 ] - [ 0.0002462800000000, 0.0001864300000000, -0.0001339000000000 ] - [ 0.0001851200000000, 0.0021687900000000, -0.0022495400000000 ] - [ -0.0028759400000000, -0.0031226200000000, -0.0038670800000000 ] - [ -0.0003742100000000, -0.0003752400000000, 0.0002532500000000 ] - [ 0.0004008500000000, 0.0001394700000000, 0.0000083300000000 ] - [ 0.0000555600000000, 0.0001705100000000, -0.0001224800000000 ] - [ 0.0001906400000000, 0.0002430900000000, -0.0001956200000000 ] - [ -0.0051216000000000, -0.0011500900000000, -0.0041532400000000 ] - [ -0.0000037200000000, -0.0000569000000000, 0.0000079200000000 ] - [ -0.0000924000000000, -0.0000800900000000, -0.0000593600000000 ] - [ -0.0033867400000000, -0.0009319900000000, 0.0029230600000000 ] - [ 0.0010787200000000, 0.0037251000000000, -0.0040203700000000 ] - [ -0.0002048700000000, -0.0000950500000000, -0.0000521400000000 ] - [ 0.0000329200000000, -0.0001388900000000, 0.0000300700000000 ] - [ -0.0000761600000000, 0.0001919100000000, 0.0000254800000000 ] - [ 0.0001967600000000, 0.0001088600000000, 0.0001382900000000 ] - [ -0.0001133200000000, 0.0001452700000000, -0.0000016500000000 ] - [ -0.0031486700000000, -0.0029605100000000, 0.0038298800000000 ] - [ 0.0000108700000000, 0.0022050700000000, 0.0024253600000000 ] - [ 0.0000953100000000, 0.0001727200000000, -0.0001831200000000 ] - [ -0.0002684000000000, 0.0000933000000000, -0.0001103500000000 ] - [ -0.0001124000000000, -0.0001442400000000, 0.0001875500000000 ]- atom: 93 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0036600200000000, 0.0071899000000000, 0.0007290900000000 ] - [ -0.0008443300000000, 0.0004695500000000, -0.0000637800000000 ] - [ 0.0002245000000000, -0.0002926800000000, 0.0000241100000000 ] - [ 0.0000457400000000, -0.0000509800000000, 0.0000300800000000 ] - [ 0.0008968900000000, 0.0007227200000000, -0.0002540100000000 ] - [ -0.0000293700000000, 0.0001050000000000, -0.0000233500000000 ] - [ -0.0000070200000000, -0.0003857900000000, 0.0000374200000000 ] - [ -0.0000029900000000, -0.0005223100000000, -0.0005349000000000 ] - [ -0.0306624400000000, 0.0407492700000000, 0.0040950500000000 ] - [ 0.0001706200000000, 0.0001156700000000, 0.0001177000000000 ] - [ -0.0001888900000000, -0.0004800900000000, -0.0000251600000000 ] - [ 0.0000146700000000, -0.0000827000000000, 0.0000145200000000 ] - [ -0.0001396500000000, 0.0001016900000000, -0.0000013500000000 ] - [ -0.0006507400000000, 0.0015123100000000, 0.0002100900000000 ] - [ -0.0001873800000000, -0.0001716100000000, -0.0004660500000000 ] - [ -0.0000477900000000, -0.0005363600000000, 0.0000479300000000 ] - [ 0.0000727300000000, 0.0001523500000000, -0.0000837400000000 ] - [ -0.0005201400000000, 0.0006346900000000, 0.0006380700000000 ] - [ 0.0000480900000000, -0.0002323600000000, -0.0000198400000000 ] - [ -0.0001990900000000, -0.0010370500000000, -0.0000931400000000 ] - [ -0.0000937400000000, 0.0006719100000000, -0.0000080600000000 ] - [ 0.0002962300000000, 0.0004714600000000, 0.0001170200000000 ] - [ -0.0001668900000000, -0.0005646400000000, 0.0006676300000000 ] - [ -0.0000540000000000, -0.0002053000000000, -0.0000728400000000 ] - [ 0.0002254600000000, 0.0000781100000000, -0.0001339100000000 ] - [ -0.0000301300000000, 0.0001226200000000, -0.0001224400000000 ] - [ -0.0001420300000000, -0.0002515700000000, -0.0001444700000000 ] - [ -0.0000714700000000, -0.0003616300000000, 0.0001426900000000 ] - [ -0.0003063200000000, 0.0012105400000000, 0.0003827500000000 ] - [ 0.0000095800000000, 0.0001279500000000, -0.0000049000000000 ] - [ -0.0004820900000000, -0.0007584100000000, 0.0002986700000000 ] - [ 0.0000460400000000, -0.0003743900000000, -0.0000032200000000 ] - [ -0.0000599900000000, 0.0010120200000000, -0.0000321900000000 ] - [ -0.0000426000000000, 0.0000734900000000, -0.0001395200000000 ] - [ 0.0008129600000000, 0.0001131300000000, -0.0005200700000000 ] - [ 0.0002074900000000, -0.0003434200000000, 0.0003264500000000 ] - [ 0.0000081800000000, 0.0002786900000000, -0.0002858100000000 ] - [ -0.0001738100000000, 0.0006189400000000, -0.0006958700000000 ] - [ -0.0006280500000000, -0.0000915700000000, 0.0007577700000000 ] - [ -0.0001510500000000, -0.0001843300000000, -0.0001835400000000 ] - [ -0.0002087800000000, 0.0001363000000000, -0.0001560100000000 ] - [ -0.0003636400000000, -0.0000777900000000, -0.0002024600000000 ] - [ 0.0001181900000000, -0.0001533000000000, 0.0000197900000000 ] - [ -0.0001677300000000, -0.0011021900000000, 0.0006159600000000 ] - [ -0.0001897300000000, 0.0002533100000000, -0.0003263300000000 ] - [ 0.0000595500000000, 0.0004152300000000, -0.0001591200000000 ] - [ -0.0004148300000000, -0.0010529700000000, 0.0003189700000000 ] - [ 0.0000901000000000, -0.0005331200000000, -0.0001595700000000 ] - [ -0.0025638700000000, 0.0064529800000000, 0.0026715300000000 ] - [ -0.0001251700000000, -0.0000539600000000, -0.0002109300000000 ] - [ 0.0003584400000000, 0.0003063700000000, 0.0003241100000000 ] - [ -0.0000531000000000, 0.0001135200000000, -0.0004125300000000 ] - [ 0.0000445500000000, -0.0000156100000000, -0.0000641400000000 ] - [ 0.0003329100000000, 0.0000226600000000, 0.0002947300000000 ] - [ 0.0000552700000000, -0.0000411300000000, -0.0004569200000000 ] - [ 0.0001712500000000, -0.0006274500000000, -0.0000740800000000 ] - [ -0.0000544300000000, 0.0002464300000000, 0.0000042400000000 ] - [ -0.0000760700000000, -0.0000448200000000, -0.0004451600000000 ] - [ -0.0000926400000000, -0.0004444400000000, -0.0001079700000000 ] - [ -0.0002457100000000, -0.0008977700000000, -0.0004125600000000 ] - [ 0.0000687800000000, 0.0000841700000000, 0.0000816100000000 ] - [ 0.0001065500000000, -0.0001904300000000, -0.0008152800000000 ] - [ 0.0002127300000000, -0.0005505900000000, 0.0001583100000000 ] - [ 0.0006055700000000, -0.0005833000000000, -0.0003430400000000 ] - [ -0.0000089000000000, -0.0005432600000000, 0.0002359500000000 ] - [ 0.0000172700000000, 0.0000372600000000, 0.0001296800000000 ] - [ 0.0007904000000000, -0.0003176300000000, 0.0008666000000000 ] - [ -0.0003160200000000, 0.0007492500000000, -0.0005965100000000 ] - [ 0.0004929300000000, -0.0018158200000000, -0.0011615600000000 ] - [ -0.0000325500000000, 0.0000234200000000, 0.0002697100000000 ] - [ 0.0000092200000000, -0.0000020600000000, 0.0002245800000000 ] - [ 0.0000576700000000, -0.0000997700000000, -0.0001215600000000 ] - [ 0.0076551000000000, 0.0197075600000000, -0.0306165800000000 ] - [ 0.0003756600000000, 0.0004575800000000, -0.0002926600000000 ] - [ -0.0001693100000000, -0.0002583000000000, 0.0002007900000000 ] - [ -0.0001051400000000, -0.0002686400000000, 0.0001405000000000 ] - [ 0.0052450900000000, 0.0167340700000000, 0.0218481900000000 ] - [ -0.0000555700000000, 0.0001298300000000, 0.0002085100000000 ] - [ 0.0001317100000000, -0.0005239500000000, 0.0004578700000000 ] - [ -0.0000323100000000, -0.0002551300000000, -0.0002544400000000 ] - [ -0.0000468800000000, -0.0004693100000000, 0.0004994500000000 ] - [ 0.0002939300000000, -0.0007409700000000, -0.0005295900000000 ] - [ -0.0000253300000000, 0.0005282800000000, -0.0001670100000000 ] - [ 0.0007101400000000, 0.0016280700000000, 0.0007302500000000 ] - [ -0.0005725600000000, -0.0030037800000000, 0.0027800400000000 ] - [ 0.0002635200000000, -0.0000453300000000, -0.0000011500000000 ] - [ 0.0001136600000000, 0.0004795900000000, -0.0002690600000000 ] - [ 0.0003734300000000, 0.0014780600000000, 0.0012371600000000 ] - [ 0.0006126900000000, -0.0004644400000000, 0.0007849000000000 ] - [ 0.0004152200000000, -0.0008389500000000, -0.0001152700000000 ] - [ 0.0005259800000000, 0.0013666000000000, -0.0014605100000000 ] - [ -0.0000131800000000, 0.0003137500000000, -0.0000567900000000 ] - [ 0.0192877700000000, -0.0905181900000000, -0.0003910400000000 ] - [ 0.0002993500000000, -0.0006017400000000, 0.0004212500000000 ] - [ -0.0000059900000000, 0.0004927100000000, -0.0002651900000000 ] - [ 0.0001012700000000, 0.0000379300000000, -0.0000331300000000 ] - [ -0.0001149800000000, 0.0000103600000000, 0.0003062400000000 ] - [ 0.0001783500000000, -0.0001276200000000, -0.0000358700000000 ] - [ 0.0000085800000000, 0.0005240600000000, 0.0002134900000000 ] - [ 0.0001677700000000, 0.0007980300000000, 0.0000327900000000 ] - [ -0.0044907600000000, 0.0006959400000000, 0.0012232900000000 ] - [ -0.0000510900000000, -0.0002484800000000, 0.0001238000000000 ] - [ 0.0001236200000000, 0.0002955800000000, -0.0002414200000000 ] - [ 0.0002013100000000, 0.0003301500000000, 0.0000786600000000 ] - [ -0.0002273700000000, -0.0001418700000000, 0.0002680800000000 ] - [ 0.0010681700000000, 0.0015520100000000, 0.0010268000000000 ] - [ -0.0000285000000000, 0.0001512600000000, -0.0001174700000000 ] - [ -0.0005155800000000, 0.0029434800000000, -0.0026792600000000 ] - [ 0.0004829800000000, -0.0000120500000000, 0.0006871400000000 ] - [ 0.0009733900000000, 0.0016513000000000, -0.0007021900000000 ] - [ -0.0000219100000000, 0.0001471200000000, 0.0000478800000000 ] - [ 0.0000039800000000, -0.0001890900000000, -0.0001625200000000 ] - [ -0.0001552800000000, -0.0001094700000000, -0.0002051300000000 ] - [ 0.0000072300000000, -0.0040938000000000, -0.0030857800000000 ] - [ -0.0000359600000000, 0.0001798200000000, 0.0002627600000000 ] - [ 0.0003557700000000, 0.0010485500000000, 0.0000340400000000 ] - [ 0.0002538300000000, -0.0037925600000000, 0.0020407000000000 ] - [ -0.0030590100000000, -0.0005175800000000, -0.0003349500000000 ] - [ 0.0002590500000000, 0.0004781300000000, -0.0001447600000000 ] - [ -0.0000201800000000, 0.0000436900000000, -0.0002294700000000 ] - [ -0.0000334200000000, 0.0000943800000000, 0.0002893000000000 ] - [ -0.0004908400000000, 0.0004875300000000, 0.0002371500000000 ] - [ 0.0001867400000000, 0.0001490300000000, -0.0001221500000000 ] - [ 0.0007961200000000, -0.0002165100000000, -0.0008162500000000 ] - [ -0.0003844900000000, 0.0030668700000000, 0.0026411500000000 ] - [ -0.0002457300000000, 0.0003273000000000, -0.0002185900000000 ] - [ 0.0000843500000000, 0.0001461400000000, 0.0000230400000000 ] - [ -0.0001898400000000, -0.0003353100000000, -0.0000119200000000 ]- atom: 93 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0041305700000000, -0.0072237100000000, -0.0006918600000000 ] - [ 0.0006002600000000, -0.0004751300000000, 0.0000092500000000 ] - [ 0.0000190100000000, 0.0002981100000000, -0.0000766200000000 ] - [ 0.0001971400000000, 0.0000446200000000, 0.0000234100000000 ] - [ -0.0009489500000000, -0.0007881300000000, 0.0002256600000000 ] - [ -0.0000249000000000, -0.0000386500000000, 0.0000518100000000 ] - [ 0.0000608800000000, 0.0003203400000000, -0.0000088300000000 ] - [ 0.0000592200000000, 0.0005879300000000, 0.0005046300000000 ] - [ 0.0295402400000000, -0.0397463200000000, -0.0039859800000000 ] - [ -0.0000565200000000, -0.0000914400000000, -0.0000835100000000 ] - [ 0.0000743800000000, 0.0004558900000000, 0.0000616700000000 ] - [ -0.0001293700000000, 0.0001072000000000, -0.0000497300000000 ] - [ -0.0001537100000000, 0.0000458200000000, 0.0000666400000000 ] - [ 0.0003565200000000, -0.0016588200000000, -0.0002689300000000 ] - [ 0.0004783900000000, 0.0003202300000000, 0.0003990300000000 ] - [ 0.0003454700000000, 0.0003886700000000, 0.0000160000000000 ] - [ -0.0000672600000000, -0.0001636900000000, 0.0000396600000000 ] - [ 0.0005284500000000, -0.0006203800000000, -0.0005862100000000 ] - [ -0.0000533800000000, 0.0002206500000000, 0.0000632200000000 ] - [ 0.0001966700000000, 0.0010480600000000, 0.0000479300000000 ] - [ 0.0002704100000000, -0.0005815000000000, -0.0001514600000000 ] - [ -0.0001285900000000, -0.0005602100000000, 0.0000475700000000 ] - [ -0.0000001700000000, 0.0006499400000000, -0.0005000700000000 ] - [ -0.0001143200000000, 0.0001167200000000, -0.0000915900000000 ] - [ -0.0001695000000000, 0.0000351200000000, 0.0001896700000000 ] - [ 0.0000874800000000, -0.0002355000000000, 0.0000680900000000 ] - [ 0.0000806400000000, 0.0003664200000000, 0.0000911200000000 ] - [ 0.0000149100000000, 0.0002478000000000, -0.0000890000000000 ] - [ 0.0002591100000000, -0.0008006200000000, -0.0003734100000000 ] - [ -0.0000563000000000, -0.0005390700000000, -0.0000047800000000 ] - [ 0.0005261400000000, 0.0011658800000000, -0.0003054800000000 ] - [ 0.0000005100000000, -0.0000371400000000, 0.0000117600000000 ] - [ -0.0001085800000000, -0.0010111200000000, 0.0002199700000000 ] - [ -0.0001145200000000, -0.0000534100000000, -0.0000348900000000 ] - [ -0.0006666600000000, -0.0001284400000000, 0.0003493500000000 ] - [ -0.0000481200000000, 0.0003566500000000, -0.0001548300000000 ] - [ 0.0002726100000000, -0.0001649600000000, -0.0000438900000000 ] - [ 0.0004577700000000, -0.0007352800000000, 0.0010224400000000 ] - [ 0.0003405000000000, 0.0002071600000000, -0.0004228100000000 ] - [ -0.0001327900000000, 0.0000683600000000, -0.0001482700000000 ] - [ -0.0000663700000000, -0.0002241000000000, 0.0001512400000000 ] - [ 0.0000901600000000, 0.0001636400000000, 0.0002101500000000 ] - [ 0.0001567300000000, 0.0000643700000000, -0.0000159400000000 ] - [ 0.0004322600000000, 0.0011655900000000, -0.0006084000000000 ] - [ 0.0001743800000000, -0.0003299900000000, -0.0000796500000000 ] - [ -0.0000724700000000, -0.0003351300000000, 0.0005586800000000 ] - [ 0.0004282200000000, 0.0009759100000000, 0.0000811800000000 ] - [ -0.0000760300000000, 0.0006123300000000, -0.0002448500000000 ] - [ 0.0024439700000000, -0.0064082900000000, -0.0029710500000000 ] - [ 0.0000003800000000, 0.0000036400000000, 0.0005252000000000 ] - [ -0.0002346500000000, -0.0002582700000000, -0.0000093500000000 ] - [ 0.0001777000000000, -0.0001630800000000, 0.0000957400000000 ] - [ 0.0001113800000000, -0.0001021100000000, 0.0000339100000000 ] - [ -0.0001772100000000, 0.0000952500000000, -0.0002667200000000 ] - [ -0.0002122100000000, -0.0000774400000000, 0.0004869600000000 ] - [ -0.0003302100000000, 0.0007497900000000, 0.0000452500000000 ] - [ -0.0000577000000000, -0.0004600800000000, 0.0003402500000000 ] - [ -0.0000358500000000, 0.0002572200000000, 0.0000997100000000 ] - [ 0.0002037500000000, 0.0002301100000000, -0.0002361500000000 ] - [ 0.0003525900000000, 0.0011007700000000, 0.0007489200000000 ] - [ 0.0001336900000000, 0.0000340600000000, 0.0001443000000000 ] - [ 0.0000977400000000, 0.0000675400000000, 0.0005929400000000 ] - [ -0.0004099600000000, 0.0006597800000000, -0.0003854500000000 ] - [ -0.0008028800000000, 0.0004670400000000, 0.0005695900000000 ] - [ 0.0000746500000000, 0.0003826200000000, -0.0006501600000000 ] - [ 0.0000441600000000, 0.0001163900000000, 0.0002795200000000 ] - [ -0.0008514100000000, 0.0001714500000000, -0.0004623500000000 ] - [ 0.0002533100000000, -0.0005901100000000, 0.0002032800000000 ] - [ -0.0005515900000000, 0.0017655100000000, 0.0009158800000000 ] - [ -0.0000351300000000, 0.0000135200000000, -0.0000459600000000 ] - [ 0.0000593500000000, -0.0000336600000000, 0.0000006600000000 ] - [ 0.0000098400000000, 0.0001358600000000, -0.0001026200000000 ] - [ -0.0075298800000000, -0.0198329800000000, 0.0313110800000000 ] - [ -0.0000528800000000, -0.0005447000000000, 0.0003458500000000 ] - [ -0.0001516400000000, 0.0003458900000000, -0.0001478400000000 ] - [ -0.0002172900000000, 0.0001806800000000, -0.0001924900000000 ] - [ -0.0053961800000000, -0.0166245500000000, -0.0228539700000000 ] - [ 0.0000001600000000, -0.0002656400000000, 0.0003310300000000 ] - [ -0.0000761300000000, 0.0006603300000000, 0.0000815800000000 ] - [ 0.0000867200000000, 0.0001211500000000, -0.0002875000000000 ] - [ 0.0001861500000000, 0.0006460200000000, -0.0000771400000000 ] - [ -0.0001548500000000, 0.0005644000000000, 0.0001096200000000 ] - [ -0.0001143500000000, -0.0003482300000000, -0.0002517100000000 ] - [ -0.0008451900000000, -0.0017983900000000, -0.0003038700000000 ] - [ 0.0009022300000000, 0.0028334500000000, -0.0024636000000000 ] - [ 0.0000655700000000, 0.0002032200000000, -0.0003090400000000 ] - [ -0.0004461700000000, -0.0006380400000000, -0.0000404000000000 ] - [ -0.0007020100000000, -0.0013144600000000, -0.0009144200000000 ] - [ -0.0005582100000000, 0.0002029500000000, -0.0009505300000000 ] - [ -0.0003569800000000, 0.0010989500000000, 0.0002755600000000 ] - [ -0.0005780000000000, -0.0016148200000000, 0.0016006600000000 ] - [ -0.0000427000000000, -0.0000502500000000, -0.0001016000000000 ] - [ -0.0175814200000000, 0.0898283100000000, -0.0000593200000000 ] - [ -0.0003122100000000, 0.0005725100000000, -0.0004026900000000 ] - [ 0.0000194000000000, -0.0004624300000000, 0.0002838700000000 ] - [ -0.0000869700000000, -0.0000675100000000, 0.0000173100000000 ] - [ 0.0001345000000000, -0.0000982600000000, -0.0001657700000000 ] - [ -0.0001587900000000, 0.0002146800000000, -0.0001035100000000 ] - [ -0.0000262300000000, -0.0006134800000000, -0.0003545200000000 ] - [ -0.0001896900000000, -0.0007109100000000, 0.0001098400000000 ] - [ 0.0044043400000000, -0.0007996800000000, -0.0012130100000000 ] - [ -0.0000707500000000, 0.0003523000000000, -0.0001630000000000 ] - [ 0.0000010700000000, -0.0004015400000000, 0.0002036100000000 ] - [ -0.0000799300000000, -0.0002244400000000, -0.0000374200000000 ] - [ 0.0000103100000000, 0.0002624000000000, -0.0001236200000000 ] - [ -0.0012968700000000, -0.0016769000000000, -0.0011878700000000 ] - [ 0.0002457300000000, -0.0000288600000000, -0.0000251700000000 ] - [ 0.0007169900000000, -0.0030631700000000, 0.0028305300000000 ] - [ -0.0005699200000000, -0.0000441700000000, -0.0006876600000000 ] - [ -0.0010655200000000, -0.0015955000000000, 0.0007111400000000 ] - [ 0.0001096800000000, -0.0001924400000000, -0.0000532300000000 ] - [ 0.0000847500000000, 0.0002347700000000, 0.0001668100000000 ] - [ 0.0001179500000000, 0.0001286600000000, 0.0000762900000000 ] - [ -0.0000270000000000, 0.0040743400000000, 0.0032277700000000 ] - [ 0.0000736700000000, -0.0001602700000000, -0.0001327900000000 ] - [ -0.0003209300000000, -0.0010693100000000, -0.0001670800000000 ] - [ -0.0003527900000000, 0.0040347000000000, -0.0020084000000000 ] - [ 0.0029573600000000, 0.0002824700000000, 0.0003069100000000 ] - [ -0.0001491200000000, -0.0002300500000000, 0.0001059500000000 ] - [ 0.0001284700000000, -0.0002884500000000, 0.0002663200000000 ] - [ -0.0000581500000000, 0.0000768700000000, -0.0003465000000000 ] - [ 0.0004036800000000, -0.0006573800000000, -0.0001824600000000 ] - [ -0.0000950100000000, 0.0000225900000000, 0.0001806800000000 ] - [ -0.0007030700000000, 0.0000339600000000, 0.0007627900000000 ] - [ 0.0004117800000000, -0.0030493800000000, -0.0024675100000000 ] - [ 0.0002894300000000, -0.0003442200000000, 0.0000392500000000 ] - [ -0.0001245200000000, -0.0001278600000000, -0.0002042100000000 ] - [ 0.0001483100000000, 0.0003145200000000, 0.0001939600000000 ]- atom: 93 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0049149600000000, 0.0006691100000000, 0.0067599300000000 ] - [ 0.0006494500000000, -0.0001879900000000, -0.0004110300000000 ] - [ 0.0001159900000000, -0.0000047200000000, 0.0001486100000000 ] - [ 0.0001601700000000, -0.0000040300000000, -0.0001656100000000 ] - [ 0.0012579900000000, 0.0005547600000000, -0.0010367200000000 ] - [ 0.0000421200000000, 0.0000283900000000, -0.0003617600000000 ] - [ 0.0000616800000000, 0.0000100800000000, 0.0000999400000000 ] - [ 0.0001507500000000, -0.0000156100000000, -0.0001451500000000 ] - [ -0.0025303400000000, 0.0033523000000000, 0.0068022700000000 ] - [ -0.0000199000000000, 0.0000975300000000, -0.0003289600000000 ] - [ -0.0001017600000000, -0.0004077900000000, 0.0000502200000000 ] - [ -0.0000462900000000, 0.0000461600000000, -0.0002221600000000 ] - [ -0.0001418100000000, 0.0000745200000000, -0.0002541200000000 ] - [ -0.0005991000000000, 0.0010985700000000, -0.0011368700000000 ] - [ -0.0000022400000000, 0.0001324700000000, -0.0001341200000000 ] - [ 0.0002095500000000, -0.0001128200000000, 0.0006581700000000 ] - [ 0.0000537100000000, 0.0000295300000000, -0.0004850300000000 ] - [ -0.0010159900000000, -0.0001822500000000, 0.0009243800000000 ] - [ -0.0000399100000000, 0.0000369700000000, -0.0001085500000000 ] - [ -0.0000365500000000, 0.0001001500000000, 0.0002102300000000 ] - [ -0.0005064700000000, -0.0001998200000000, 0.0001688800000000 ] - [ -0.0001787600000000, -0.0003262900000000, -0.0007229200000000 ] - [ -0.0001720500000000, 0.0001227400000000, 0.0002426100000000 ] - [ -0.0000453200000000, -0.0001054300000000, -0.0002782400000000 ] - [ 0.0002559800000000, -0.0001240300000000, -0.0000143300000000 ] - [ -0.0000357600000000, 0.0000134200000000, -0.0005296700000000 ] - [ -0.0000407500000000, 0.0000408400000000, 0.0002976800000000 ] - [ -0.0000163500000000, 0.0002586200000000, -0.0004622100000000 ] - [ -0.0000463500000000, 0.0005537600000000, 0.0011294300000000 ] - [ -0.0000232900000000, -0.0003977200000000, -0.0005910900000000 ] - [ 0.0001557300000000, 0.0002843600000000, 0.0002540600000000 ] - [ 0.0000301200000000, -0.0000997600000000, -0.0002418000000000 ] - [ -0.0012143900000000, 0.0025419600000000, 0.0034402800000000 ] - [ -0.0000492600000000, 0.0001339400000000, -0.0002580500000000 ] - [ 0.0002990200000000, -0.0003652000000000, -0.0000131700000000 ] - [ -0.0000648300000000, 0.0003019600000000, -0.0001225500000000 ] - [ 0.0000307800000000, -0.0000497400000000, 0.0005624700000000 ] - [ 0.0001545200000000, -0.0004331000000000, -0.0005498600000000 ] - [ -0.0001102800000000, 0.0001457600000000, 0.0003388300000000 ] - [ -0.0002510600000000, -0.0001514400000000, -0.0004442800000000 ] - [ -0.0001487500000000, -0.0001046300000000, -0.0004960900000000 ] - [ -0.0002931300000000, 0.0000932400000000, 0.0009516000000000 ] - [ 0.0001809700000000, -0.0000381300000000, -0.0002570400000000 ] - [ 0.0003497200000000, 0.0006513100000000, 0.0002230000000000 ] - [ -0.0004482700000000, 0.0002747700000000, -0.0007553600000000 ] - [ 0.0000934700000000, 0.0002328600000000, -0.0006341700000000 ] - [ 0.0000163800000000, -0.0000082600000000, 0.0002104900000000 ] - [ 0.0000117900000000, 0.0001850700000000, -0.0002154800000000 ] - [ 0.0037432600000000, -0.0070807700000000, -0.0059303100000000 ] - [ 0.0001717200000000, -0.0000410800000000, 0.0000740800000000 ] - [ 0.0000047300000000, 0.0001437300000000, 0.0002362600000000 ] - [ 0.0001426100000000, -0.0003022100000000, -0.0010977300000000 ] - [ -0.0000195000000000, 0.0001685700000000, -0.0002676300000000 ] - [ -0.0000608000000000, 0.0001768000000000, 0.0000524400000000 ] - [ -0.0000760600000000, -0.0001024500000000, 0.0000158000000000 ] - [ -0.0000911000000000, 0.0000047100000000, -0.0001314200000000 ] - [ 0.0000459600000000, 0.0001628500000000, -0.0005026100000000 ] - [ -0.0001814400000000, -0.0004233600000000, -0.0007759700000000 ] - [ 0.0004618800000000, 0.0002051600000000, -0.0002059900000000 ] - [ -0.0000994800000000, -0.0002775400000000, 0.0002117700000000 ] - [ 0.0000387500000000, 0.0000589500000000, -0.0000005200000000 ] - [ 0.0001948500000000, -0.0001793800000000, 0.0013065300000000 ] - [ -0.0003828300000000, 0.0005137600000000, -0.0003843500000000 ] - [ 0.0000017400000000, -0.0000883800000000, 0.0003917900000000 ] - [ 0.0002361900000000, -0.0006692300000000, -0.0020323300000000 ] - [ 0.0000281300000000, 0.0000718000000000, 0.0001160300000000 ] - [ -0.0006714600000000, 0.0001563200000000, 0.0005969700000000 ] - [ 0.0001375200000000, -0.0003658300000000, -0.0005733600000000 ] - [ -0.0018545100000000, 0.0037861000000000, 0.0036737300000000 ] - [ 0.0000089600000000, -0.0000326700000000, 0.0000676100000000 ] - [ -0.0000606700000000, 0.0000647900000000, 0.0001223000000000 ] - [ 0.0001424800000000, -0.0002875100000000, 0.0001191100000000 ] - [ -0.0103606500000000, -0.0239340700000000, 0.0503072100000000 ] - [ 0.0002214400000000, -0.0003245200000000, 0.0000731700000000 ] - [ -0.0002194900000000, 0.0000207600000000, 0.0000599900000000 ] - [ -0.0001787800000000, -0.0000619000000000, -0.0002064500000000 ] - [ 0.0096478500000000, 0.0192482100000000, 0.0468592500000000 ] - [ 0.0000242600000000, -0.0002272300000000, -0.0001515200000000 ] - [ 0.0001110800000000, 0.0000009800000000, 0.0005371600000000 ] - [ 0.0000949500000000, -0.0000092800000000, -0.0006854500000000 ] - [ 0.0000428600000000, -0.0000891300000000, 0.0015737900000000 ] - [ 0.0007317600000000, 0.0000057000000000, -0.0012204900000000 ] - [ -0.0001905900000000, -0.0001398600000000, 0.0001439000000000 ] - [ -0.0000251100000000, -0.0002645800000000, -0.0013703800000000 ] - [ -0.0008167400000000, -0.0026015100000000, 0.0047022300000000 ] - [ 0.0002277500000000, 0.0000154000000000, 0.0005533000000000 ] - [ -0.0001524700000000, -0.0003074000000000, -0.0003008500000000 ] - [ -0.0000461400000000, 0.0003498100000000, 0.0008707600000000 ] - [ 0.0000203400000000, -0.0001462900000000, -0.0008713500000000 ] - [ 0.0000586000000000, 0.0005201700000000, 0.0015392600000000 ] - [ -0.0002227700000000, -0.0004919100000000, 0.0005227200000000 ] - [ 0.0000382000000000, 0.0001640500000000, 0.0003072900000000 ] - [ -0.0009747900000000, 0.0011862900000000, -0.1121532600000000 ] - [ -0.0004961700000000, 0.0003947500000000, 0.0001139100000000 ] - [ 0.0001373300000000, 0.0002918900000000, -0.0002842400000000 ] - [ -0.0000702900000000, 0.0000090200000000, 0.0002634200000000 ] - [ -0.0001295300000000, 0.0000702000000000, 0.0006634600000000 ] - [ 0.0002901300000000, -0.0000414800000000, 0.0004708400000000 ] - [ 0.0000114300000000, -0.0001762300000000, -0.0000919000000000 ] - [ -0.0002161800000000, -0.0001853200000000, 0.0001129600000000 ] - [ -0.0049832100000000, 0.0030060900000000, -0.0010504900000000 ] - [ -0.0001228300000000, 0.0000848700000000, 0.0004911800000000 ] - [ 0.0000154500000000, -0.0001068700000000, -0.0002569300000000 ] - [ 0.0001867300000000, 0.0000711500000000, 0.0003933400000000 ] - [ -0.0000490400000000, 0.0001407300000000, 0.0004518300000000 ] - [ 0.0007564700000000, 0.0034329600000000, -0.0019913200000000 ] - [ -0.0000145800000000, 0.0000172500000000, 0.0003242800000000 ] - [ 0.0007103800000000, -0.0000766500000000, -0.0008648900000000 ] - [ 0.0007701200000000, 0.0000137200000000, -0.0000399500000000 ] - [ -0.0018649200000000, -0.0027084000000000, 0.0008308900000000 ] - [ -0.0002109500000000, 0.0003060800000000, 0.0001189800000000 ] - [ 0.0000735000000000, -0.0003362300000000, 0.0003403100000000 ] - [ 0.0000441400000000, -0.0000682100000000, 0.0005574000000000 ] - [ 0.0048185200000000, -0.0020721600000000, -0.0006522200000000 ] - [ 0.0000011200000000, 0.0000507000000000, 0.0002407000000000 ] - [ -0.0002959000000000, -0.0005137600000000, -0.0005706700000000 ] - [ -0.0038631300000000, 0.0017993400000000, 0.0008076500000000 ] - [ 0.0034666200000000, -0.0013376100000000, 0.0009962100000000 ] - [ 0.0002402600000000, 0.0005473900000000, 0.0000922300000000 ] - [ 0.0000876200000000, -0.0001263000000000, 0.0000656900000000 ] - [ -0.0000533400000000, 0.0002035500000000, 0.0003097800000000 ] - [ 0.0006156200000000, -0.0001994400000000, -0.0005929400000000 ] - [ 0.0000497500000000, 0.0000442300000000, 0.0006216900000000 ] - [ -0.0003535700000000, 0.0002082600000000, -0.0010009600000000 ] - [ -0.0005739200000000, 0.0001953200000000, 0.0000244900000000 ] - [ 0.0002020900000000, -0.0000502800000000, -0.0000182400000000 ] - [ 0.0001892700000000, 0.0001892800000000, 0.0004035100000000 ] - [ -0.0002773700000000, -0.0004010700000000, 0.0004508200000000 ]- atom: 93 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0053847200000000, -0.0006977600000000, -0.0067678700000000 ] - [ -0.0008926800000000, 0.0001854800000000, 0.0003573100000000 ] - [ 0.0001256600000000, 0.0000081300000000, -0.0002003000000000 ] - [ 0.0000800200000000, -0.0000015400000000, 0.0002174900000000 ] - [ -0.0013144500000000, -0.0006261100000000, 0.0010204400000000 ] - [ -0.0000943500000000, 0.0000419600000000, 0.0003894600000000 ] - [ -0.0000095600000000, -0.0000792600000000, -0.0000724500000000 ] - [ -0.0000980300000000, 0.0000844600000000, 0.0001166200000000 ] - [ 0.0028089900000000, -0.0035771300000000, -0.0068974600000000 ] - [ 0.0001316800000000, -0.0000709000000000, 0.0003634600000000 ] - [ -0.0000104800000000, 0.0003834700000000, -0.0000118200000000 ] - [ -0.0000659800000000, -0.0000227400000000, 0.0001856000000000 ] - [ -0.0001546700000000, 0.0000746300000000, 0.0003184300000000 ] - [ 0.0003040100000000, -0.0012517100000000, 0.0010838800000000 ] - [ 0.0002985500000000, 0.0000162100000000, 0.0000685700000000 ] - [ 0.0000880900000000, -0.0000340500000000, -0.0005946600000000 ] - [ -0.0000418800000000, -0.0000446800000000, 0.0004416200000000 ] - [ 0.0010333600000000, 0.0002008400000000, -0.0008641200000000 ] - [ 0.0000282800000000, -0.0000533700000000, 0.0001509900000000 ] - [ 0.0000257300000000, -0.0000831400000000, -0.0002550200000000 ] - [ 0.0006933700000000, 0.0002957700000000, -0.0003355400000000 ] - [ 0.0003476500000000, 0.0002344200000000, 0.0008801600000000 ] - [ -0.0000002600000000, -0.0000325300000000, -0.0000779500000000 ] - [ -0.0001263400000000, 0.0000140900000000, 0.0001123500000000 ] - [ -0.0002086000000000, 0.0002362900000000, 0.0000700200000000 ] - [ 0.0000855700000000, -0.0001242800000000, 0.0004752500000000 ] - [ -0.0000093900000000, 0.0000715900000000, -0.0003526100000000 ] - [ -0.0000336500000000, -0.0003702400000000, 0.0005147300000000 ] - [ 0.0000007700000000, -0.0001404300000000, -0.0011223000000000 ] - [ -0.0000216100000000, -0.0000119700000000, 0.0005839700000000 ] - [ -0.0001103600000000, 0.0001258700000000, -0.0002591800000000 ] - [ 0.0000159300000000, -0.0003123200000000, 0.0002472400000000 ] - [ 0.0010333200000000, -0.0025236800000000, -0.0032465200000000 ] - [ -0.0001090200000000, -0.0001165900000000, 0.0000821400000000 ] - [ -0.0001424100000000, 0.0003485700000000, -0.0001633000000000 ] - [ 0.0002275100000000, -0.0002930200000000, 0.0002983200000000 ] - [ 0.0002465400000000, 0.0001635400000000, -0.0008945900000000 ] - [ 0.0001273400000000, 0.0003154800000000, 0.0008747700000000 ] - [ -0.0001698300000000, -0.0000313100000000, -0.0000076200000000 ] - [ -0.0000295400000000, 0.0000359100000000, 0.0001112900000000 ] - [ -0.0001269000000000, 0.0000130600000000, 0.0004937800000000 ] - [ 0.0000216700000000, -0.0000032800000000, -0.0009472800000000 ] - [ 0.0000947300000000, -0.0000539500000000, 0.0002564200000000 ] - [ -0.0000776200000000, -0.0005694000000000, -0.0002246900000000 ] - [ 0.0004319300000000, -0.0003482300000000, 0.0003498200000000 ] - [ -0.0001045200000000, -0.0001516200000000, 0.0010331900000000 ] - [ -0.0000037400000000, -0.0000702400000000, 0.0001882200000000 ] - [ 0.0000018700000000, -0.0001066500000000, -0.0001866000000000 ] - [ -0.0038537600000000, 0.0071154100000000, 0.0055736200000000 ] - [ -0.0002983300000000, -0.0000125700000000, 0.0002372200000000 ] - [ 0.0001233800000000, -0.0000910300000000, 0.0000742700000000 ] - [ -0.0000157900000000, 0.0002502500000000, 0.0007786500000000 ] - [ 0.0001747600000000, -0.0002825700000000, 0.0002385400000000 ] - [ 0.0002172300000000, -0.0000625800000000, -0.0000255500000000 ] - [ -0.0000805700000000, -0.0000135100000000, 0.0000119400000000 ] - [ -0.0000664700000000, 0.0001094800000000, 0.0000972600000000 ] - [ -0.0001592600000000, -0.0003803600000000, 0.0008470500000000 ] - [ 0.0000691200000000, 0.0006370100000000, 0.0004307100000000 ] - [ -0.0003485700000000, -0.0004214000000000, -0.0001357500000000 ] - [ 0.0002109000000000, 0.0004904700000000, 0.0001281400000000 ] - [ 0.0001647000000000, 0.0000605800000000, 0.0002234600000000 ] - [ 0.0000077900000000, 0.0000608000000000, -0.0015225600000000 ] - [ 0.0001892000000000, -0.0004106500000000, 0.0001641000000000 ] - [ -0.0002052800000000, -0.0000299300000000, -0.0001687700000000 ] - [ -0.0001629400000000, 0.0004940200000000, 0.0016164700000000 ] - [ 0.0000328400000000, 0.0000808600000000, 0.0002892100000000 ] - [ 0.0006118100000000, -0.0003098000000000, -0.0001940900000000 ] - [ -0.0002020000000000, 0.0005266000000000, 0.0001761100000000 ] - [ 0.0017765500000000, -0.0038096200000000, -0.0038763100000000 ] - [ -0.0000753600000000, 0.0000704600000000, 0.0001578200000000 ] - [ 0.0001282400000000, -0.0001035300000000, 0.0001041800000000 ] - [ -0.0000746900000000, 0.0003234400000000, -0.0003460100000000 ] - [ 0.0102133300000000, 0.0227989900000000, -0.0488967700000000 ] - [ 0.0001007500000000, 0.0002408800000000, -0.0000243000000000 ] - [ -0.0001034200000000, 0.0000624800000000, -0.0000107500000000 ] - [ -0.0001433400000000, -0.0000233100000000, 0.0001578400000000 ] - [ -0.0101775400000000, -0.0202693600000000, -0.0492965900000000 ] - [ -0.0000801500000000, 0.0000937400000000, 0.0006913100000000 ] - [ -0.0000553700000000, 0.0001330400000000, 0.0000026600000000 ] - [ -0.0000403300000000, -0.0001247900000000, 0.0001445000000000 ] - [ 0.0000927100000000, 0.0002602500000000, -0.0011556100000000 ] - [ -0.0005967300000000, -0.0001802700000000, 0.0008000200000000 ] - [ 0.0000538000000000, 0.0003162100000000, -0.0005618100000000 ] - [ -0.0001099800000000, 0.0000923900000000, 0.0017902200000000 ] - [ 0.0011424500000000, 0.0024368700000000, -0.0044116000000000 ] - [ 0.0000977800000000, 0.0001433400000000, -0.0008684800000000 ] - [ -0.0001765000000000, 0.0001464900000000, -0.0000160800000000 ] - [ -0.0002806600000000, -0.0001890600000000, -0.0005507100000000 ] - [ 0.0000294800000000, -0.0001177300000000, 0.0007113100000000 ] - [ -0.0000052700000000, -0.0002589300000000, -0.0013742600000000 ] - [ 0.0001677400000000, 0.0002301100000000, -0.0003708700000000 ] - [ -0.0000925300000000, 0.0000989800000000, -0.0004635100000000 ] - [ 0.0019725300000000, 0.0015166000000000, 0.1127139100000000 ] - [ 0.0004806200000000, -0.0004277900000000, -0.0000929300000000 ] - [ -0.0001213800000000, -0.0002594100000000, 0.0003050500000000 ] - [ 0.0000884300000000, -0.0000394000000000, -0.0002848700000000 ] - [ 0.0001485100000000, -0.0001619700000000, -0.0005245400000000 ] - [ -0.0002724100000000, 0.0001267000000000, -0.0006137600000000 ] - [ -0.0000303900000000, 0.0000888900000000, -0.0000494600000000 ] - [ 0.0001961100000000, 0.0002725900000000, 0.0000292900000000 ] - [ 0.0048781700000000, -0.0031232500000000, 0.0010981400000000 ] - [ -0.0000013800000000, 0.0000191300000000, -0.0005270300000000 ] - [ 0.0001082200000000, 0.0000005300000000, 0.0002216000000000 ] - [ -0.0000621800000000, 0.0000359300000000, -0.0003576700000000 ] - [ -0.0001627300000000, -0.0000198100000000, -0.0003060100000000 ] - [ -0.0009811500000000, -0.0035697700000000, 0.0018376700000000 ] - [ 0.0002265000000000, 0.0001022800000000, -0.0004693600000000 ] - [ -0.0004990400000000, -0.0000414300000000, 0.0010157700000000 ] - [ -0.0008505600000000, -0.0000651500000000, 0.0000352600000000 ] - [ 0.0017841200000000, 0.0027573600000000, -0.0008185700000000 ] - [ 0.0002921000000000, -0.0003546500000000, -0.0001244700000000 ] - [ 0.0000092000000000, 0.0003887500000000, -0.0003383600000000 ] - [ -0.0000838800000000, 0.0000850000000000, -0.0006867800000000 ] - [ -0.0048833400000000, 0.0020576600000000, 0.0007910200000000 ] - [ 0.0000366900000000, -0.0000298700000000, -0.0001118900000000 ] - [ 0.0003318200000000, 0.0004898300000000, 0.0004387500000000 ] - [ 0.0037394500000000, -0.0015545200000000, -0.0007708700000000 ] - [ -0.0035619500000000, 0.0010822500000000, -0.0010281900000000 ] - [ -0.0001285500000000, -0.0003003100000000, -0.0001283500000000 ] - [ 0.0000215300000000, -0.0001176600000000, -0.0000316700000000 ] - [ -0.0000425800000000, -0.0000252600000000, -0.0003660900000000 ] - [ -0.0007057000000000, 0.0000226000000000, 0.0006465700000000 ] - [ 0.0000478500000000, 0.0001317100000000, -0.0005665000000000 ] - [ 0.0004511800000000, -0.0003845400000000, 0.0009525100000000 ] - [ 0.0006075700000000, -0.0001708500000000, 0.0001487100000000 ] - [ -0.0001657600000000, 0.0000274300000000, -0.0001603000000000 ] - [ -0.0002228600000000, -0.0001669800000000, -0.0005838100000000 ] - [ 0.0002435200000000, 0.0003775900000000, -0.0002726800000000 ]- atom: 97 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001108400000000, -0.0000662400000000, -0.0000022300000000 ] - [ -0.0002045000000000, 0.0000278800000000, 0.0000054400000000 ] - [ -0.0000478500000000, 0.0002761900000000, -0.0000846500000000 ] - [ 0.0001044500000000, -0.0000056100000000, -0.0000134200000000 ] - [ 0.0019443400000000, 0.0008003500000000, 0.0012268200000000 ] - [ -0.0011275900000000, 0.0001827500000000, 0.0006991300000000 ] - [ -0.0000490900000000, 0.0000069300000000, -0.0000628500000000 ] - [ 0.0000259200000000, -0.0000109100000000, -0.0000306800000000 ] - [ -0.0000087600000000, 0.0000486200000000, 0.0000346500000000 ] - [ 0.0000927300000000, 0.0000182800000000, 0.0002118400000000 ] - [ -0.0002651900000000, 0.0000352000000000, 0.0000578600000000 ] - [ 0.0000449800000000, -0.0000755700000000, -0.0000518300000000 ] - [ 0.0030676800000000, -0.0023777200000000, -0.0028698500000000 ] - [ -0.0002794400000000, 0.0003894300000000, 0.0004381900000000 ] - [ 0.0001807300000000, 0.0000439100000000, -0.0000317200000000 ] - [ 0.0000832600000000, -0.0000461000000000, 0.0000198400000000 ] - [ 0.0023338300000000, 0.0011512200000000, -0.0013731400000000 ] - [ -0.0009803800000000, 0.0002238200000000, -0.0003450500000000 ] - [ -0.0000095300000000, 0.0000714200000000, 0.0000725900000000 ] - [ -0.0000672300000000, 0.0000050800000000, 0.0000071200000000 ] - [ -0.0000783400000000, 0.0000827100000000, -0.0001931700000000 ] - [ 0.0001692400000000, -0.0000496300000000, 0.0000551500000000 ] - [ -0.0001123700000000, -0.0000091000000000, 0.0001196600000000 ] - [ -0.0002526700000000, 0.0002182500000000, 0.0000326500000000 ] - [ 0.0034362300000000, -0.0029053800000000, 0.0035384500000000 ] - [ -0.0004595000000000, 0.0005347500000000, -0.0005524700000000 ] - [ 0.0000590000000000, -0.0000206100000000, 0.0000574700000000 ] - [ -0.0001481400000000, -0.0000459800000000, 0.0000152000000000 ] - [ -0.0001502400000000, -0.0001343300000000, -0.0007325300000000 ] - [ 0.0003807600000000, -0.0001249700000000, -0.0001294200000000 ] - [ 0.0000230000000000, -0.0000992900000000, 0.0003287900000000 ] - [ -0.0000650100000000, -0.0001929700000000, 0.0000023700000000 ] - [ 0.0047834700000000, 0.0015668100000000, -0.0036787000000000 ] - [ -0.0001050800000000, -0.0000884300000000, 0.0000937300000000 ] - [ 0.0000219600000000, -0.0000560800000000, -0.0002432500000000 ] - [ 0.0001964400000000, -0.0000516100000000, -0.0003590900000000 ] - [ 0.0002527000000000, 0.0001204200000000, -0.0004650300000000 ] - [ 0.0000356800000000, 0.0000894200000000, 0.0000225500000000 ] - [ -0.0000353200000000, 0.0000356700000000, 0.0001640400000000 ] - [ -0.0003862000000000, -0.0000640800000000, -0.0002118300000000 ] - [ 0.0000957900000000, -0.0002854400000000, 0.0002161700000000 ] - [ -0.0003335700000000, 0.0000516200000000, -0.0003471800000000 ] - [ -0.0000033600000000, 0.0000696200000000, 0.0001065700000000 ] - [ 0.0001307900000000, 0.0000059800000000, 0.0000155100000000 ] - [ 0.0085542100000000, 0.0044513200000000, -0.0000800200000000 ] - [ 0.0101644700000000, -0.0022770900000000, 0.0011289400000000 ] - [ -0.0000176600000000, -0.0001725400000000, 0.0002629200000000 ] - [ -0.0000316900000000, 0.0000327100000000, -0.0002385200000000 ] - [ 0.0000379200000000, 0.0000047400000000, -0.0002385600000000 ] - [ -0.0000297100000000, -0.0000045400000000, 0.0002433500000000 ] - [ 0.0000287500000000, 0.0001269800000000, 0.0001263100000000 ] - [ 0.0000992000000000, 0.0003600400000000, -0.0005552800000000 ] - [ 0.0078453800000000, 0.0027033700000000, 0.0061051000000000 ] - [ 0.0001523800000000, 0.0009104100000000, 0.0008309000000000 ] - [ -0.0001507500000000, -0.0001103100000000, -0.0000159000000000 ] - [ 0.0001157500000000, 0.0000207800000000, 0.0001043600000000 ] - [ 0.0003584000000000, 0.0003672400000000, 0.0001812900000000 ] - [ -0.0008339100000000, 0.0007050400000000, -0.0001249900000000 ] - [ 0.0000321400000000, -0.0000798700000000, -0.0002031400000000 ] - [ 0.0000467400000000, 0.0000676100000000, 0.0001662900000000 ] - [ -0.0000450800000000, -0.0000252100000000, 0.0001660800000000 ] - [ -0.0001041700000000, -0.0006467600000000, 0.0000026000000000 ] - [ -0.0001126500000000, 0.0001501500000000, -0.0000960400000000 ] - [ -0.0000320000000000, 0.0000655200000000, 0.0002799900000000 ] - [ 0.0020396900000000, 0.0038537400000000, -0.0004539300000000 ] - [ 0.0000680100000000, 0.0001743500000000, 0.0001491700000000 ] - [ -0.0000611600000000, -0.0001940300000000, 0.0001182700000000 ] - [ 0.0000617800000000, -0.0000737700000000, -0.0001079800000000 ] - [ -0.0000559800000000, 0.0001801900000000, -0.0006090300000000 ] - [ -0.0000336000000000, 0.0000421800000000, 0.0000082300000000 ] - [ -0.0001017500000000, -0.0004478500000000, -0.0002880800000000 ] - [ -0.0006185700000000, 0.0002733600000000, -0.0003097500000000 ] - [ 0.0000931400000000, 0.0001181100000000, 0.0000632500000000 ] - [ 0.0001483100000000, -0.0001135000000000, 0.0000510600000000 ] - [ -0.0003367400000000, -0.0000680200000000, 0.0001388700000000 ] - [ 0.0001269700000000, -0.0003677400000000, 0.0002662700000000 ] - [ 0.0002446400000000, 0.0002056400000000, -0.0002050200000000 ] - [ -0.0000337900000000, -0.0001152200000000, 0.0005792900000000 ] - [ -0.0000603200000000, 0.0000563300000000, 0.0002510500000000 ] - [ 0.0001279100000000, -0.0000695600000000, -0.0004232300000000 ] - [ -0.0016186300000000, -0.0021634300000000, 0.0032203500000000 ] - [ 0.0031438300000000, -0.0018426100000000, 0.0034746400000000 ] - [ 0.0000159700000000, -0.0000152100000000, -0.0002756000000000 ] - [ 0.0000814600000000, 0.0001166000000000, 0.0000438000000000 ] - [ -0.0003407600000000, -0.0038503700000000, -0.0030110900000000 ] - [ 0.0046485900000000, -0.0016046200000000, -0.0031088000000000 ] - [ -0.0000801500000000, -0.0000880900000000, -0.0001178100000000 ] - [ -0.0001123800000000, 0.0001893000000000, 0.0001155300000000 ] - [ 0.0002608800000000, -0.0003049100000000, 0.0003762200000000 ] - [ -0.0002711700000000, -0.0001273400000000, 0.0001056800000000 ] - [ -0.0000587300000000, -0.0000014300000000, 0.0000640800000000 ] - [ 0.0003160400000000, 0.0000638200000000, -0.0000959700000000 ] - [ -0.0002857900000000, -0.0001063600000000, -0.0001488500000000 ] - [ 0.0001784900000000, -0.0001872000000000, -0.0002704000000000 ] - [ 0.0002792100000000, 0.0000006600000000, 0.0000318000000000 ] - [ 0.0000438700000000, 0.0001599800000000, 0.0001946800000000 ] - [ -0.0481299400000000, 0.0009477900000000, -0.0034964900000000 ] - [ 0.0017771500000000, 0.0006802700000000, -0.0003588300000000 ] - [ -0.0001292200000000, -0.0000650200000000, -0.0000604200000000 ] - [ 0.0001362900000000, 0.0000460800000000, 0.0000893900000000 ] - [ -0.0015424600000000, 0.0002933800000000, 0.0001678600000000 ] - [ 0.0002283900000000, 0.0004101100000000, -0.0000703800000000 ] - [ -0.0001420300000000, -0.0000333700000000, 0.0000457800000000 ] - [ 0.0003274100000000, 0.0003125800000000, 0.0001414400000000 ] - [ -0.0001705000000000, 0.0001085900000000, 0.0001503800000000 ] - [ 0.0004959100000000, -0.0002146800000000, -0.0002114200000000 ] - [ -0.0003360400000000, -0.0006782800000000, -0.0005534900000000 ] - [ 0.0003028400000000, -0.0001469300000000, -0.0000119300000000 ] - [ -0.0001087800000000, 0.0000416600000000, 0.0000283500000000 ] - [ 0.0000853300000000, -0.0000056600000000, 0.0000598600000000 ] - [ -0.0006456200000000, -0.0031070100000000, 0.0001396400000000 ] - [ 0.0002856800000000, -0.0002152300000000, -0.0000697800000000 ] - [ -0.0015600500000000, 0.0001480200000000, -0.0002026500000000 ] - [ 0.0003492200000000, 0.0002689800000000, 0.0001816900000000 ] - [ -0.0000761600000000, -0.0000506100000000, 0.0000534200000000 ] - [ 0.0002910900000000, 0.0000223600000000, -0.0001987800000000 ] - [ 0.0000717600000000, 0.0001922900000000, 0.0000927400000000 ] - [ -0.0002543500000000, -0.0000851300000000, 0.0000704800000000 ] - [ 0.0004329400000000, 0.0002558700000000, 0.0000459600000000 ] - [ -0.0001725200000000, -0.0001885800000000, -0.0000106000000000 ] - [ -0.0000883100000000, -0.0000255200000000, 0.0001314800000000 ] - [ -0.0003277700000000, -0.0008973200000000, 0.0005433300000000 ] - [ 0.0006863800000000, -0.0001148000000000, 0.0000691300000000 ] - [ -0.0001779800000000, -0.0000297000000000, -0.0001954400000000 ] - [ 0.0001116000000000, -0.0000138200000000, 0.0001206100000000 ] - [ -0.0001460500000000, -0.0001683300000000, -0.0000271100000000 ] - [ 0.0028207600000000, 0.0008300200000000, -0.0002349000000000 ] - [ -0.0004647700000000, 0.0017931100000000, -0.0000654100000000 ]- atom: 97 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001318400000000, 0.0000689000000000, 0.0000545400000000 ] - [ -0.0000376000000000, -0.0000315200000000, -0.0000572200000000 ] - [ 0.0002885700000000, -0.0002725600000000, 0.0000316500000000 ] - [ 0.0001373600000000, 0.0000022300000000, 0.0000660500000000 ] - [ -0.0020099600000000, -0.0008723600000000, -0.0012649400000000 ] - [ 0.0010696300000000, -0.0001109000000000, -0.0006638100000000 ] - [ 0.0001022200000000, -0.0000760300000000, 0.0000915700000000 ] - [ 0.0000269800000000, 0.0000804600000000, 0.0000023700000000 ] - [ 0.0001214400000000, -0.0000747500000000, -0.0000716100000000 ] - [ 0.0000201300000000, 0.0000073300000000, -0.0001754900000000 ] - [ 0.0001523400000000, -0.0000603100000000, -0.0000220400000000 ] - [ -0.0001584900000000, 0.0001036600000000, 0.0000160100000000 ] - [ -0.0033114700000000, 0.0024509900000000, 0.0028411500000000 ] - [ -0.0000174800000000, -0.0005440800000000, -0.0005078400000000 ] - [ 0.0001150000000000, 0.0001056700000000, -0.0000341400000000 ] - [ 0.0002130800000000, -0.0001038900000000, 0.0000465400000000 ] - [ -0.0023390300000000, -0.0011630100000000, 0.0013261900000000 ] - [ 0.0009909700000000, -0.0002052600000000, 0.0003858600000000 ] - [ -0.0000025800000000, -0.0000879600000000, -0.0000289600000000 ] - [ 0.0000551200000000, 0.0000120800000000, -0.0000505700000000 ] - [ 0.0002494700000000, 0.0000094400000000, 0.0000282400000000 ] - [ 0.0000020400000000, -0.0000420800000000, 0.0001085800000000 ] - [ -0.0000595300000000, 0.0000997700000000, 0.0000455300000000 ] - [ 0.0000807900000000, -0.0003083700000000, -0.0001967600000000 ] - [ -0.0033484900000000, 0.0029404300000000, -0.0033804600000000 ] - [ 0.0005112500000000, -0.0006498200000000, 0.0004997000000000 ] - [ -0.0001089300000000, 0.0001335800000000, -0.0001117200000000 ] - [ 0.0000993600000000, -0.0000667200000000, 0.0000391900000000 ] - [ 0.0001041800000000, 0.0005461600000000, 0.0007323400000000 ] - [ -0.0004295700000000, -0.0002907600000000, 0.0001255800000000 ] - [ 0.0000232600000000, 0.0005130200000000, -0.0003369900000000 ] - [ 0.0001106400000000, -0.0002188000000000, 0.0000039900000000 ] - [ -0.0050622400000000, -0.0016624100000000, 0.0039944000000000 ] - [ -0.0000525100000000, 0.0001046900000000, -0.0002689200000000 ] - [ 0.0001363300000000, 0.0000386400000000, 0.0000660600000000 ] - [ -0.0000385900000000, 0.0000693600000000, 0.0005390000000000 ] - [ 0.0000281800000000, -0.0000049300000000, 0.0001332900000000 ] - [ 0.0002440700000000, -0.0002053100000000, 0.0003092700000000 ] - [ -0.0002455000000000, 0.0000813400000000, 0.0001678800000000 ] - [ 0.0001063100000000, -0.0000500300000000, -0.0001187700000000 ] - [ -0.0003767200000000, 0.0001979900000000, -0.0002219000000000 ] - [ 0.0000670900000000, 0.0000386900000000, 0.0003538800000000 ] - [ 0.0002786100000000, -0.0001632100000000, -0.0001066200000000 ] - [ 0.0001448800000000, 0.0000877800000000, -0.0000145900000000 ] - [ -0.0081585500000000, -0.0043463300000000, -0.0002918600000000 ] - [ -0.0105810400000000, 0.0025304400000000, -0.0007798100000000 ] - [ 0.0000309600000000, 0.0000950000000000, 0.0001378900000000 ] - [ 0.0000448900000000, 0.0000455200000000, -0.0001618100000000 ] - [ -0.0001654900000000, 0.0000482200000000, -0.0000724400000000 ] - [ -0.0000973400000000, -0.0000488200000000, 0.0000684100000000 ] - [ 0.0000989200000000, -0.0000745100000000, 0.0001851900000000 ] - [ 0.0000318800000000, -0.0004105600000000, 0.0002444400000000 ] - [ -0.0078386100000000, -0.0029126400000000, -0.0063220800000000 ] - [ 0.0000079000000000, -0.0007958300000000, -0.0008025600000000 ] - [ -0.0000063300000000, -0.0000059200000000, 0.0000435000000000 ] - [ -0.0002721300000000, 0.0000946500000000, -0.0001305300000000 ] - [ -0.0004776100000000, -0.0005877400000000, 0.0001581200000000 ] - [ 0.0007204200000000, -0.0004829000000000, -0.0002156600000000 ] - [ 0.0000807500000000, -0.0001369400000000, -0.0001370700000000 ] - [ 0.0000662900000000, 0.0001492500000000, 0.0001741200000000 ] - [ 0.0002481400000000, 0.0001436600000000, 0.0000572800000000 ] - [ 0.0003058700000000, 0.0005325900000000, -0.0002254700000000 ] - [ -0.0000902800000000, -0.0000313200000000, -0.0001274500000000 ] - [ -0.0001703400000000, -0.0001850600000000, -0.0000562300000000 ] - [ -0.0019806100000000, -0.0040396900000000, 0.0000513400000000 ] - [ -0.0000065500000000, -0.0000214700000000, 0.0002569400000000 ] - [ -0.0000003600000000, 0.0000406800000000, 0.0002871300000000 ] - [ -0.0001235600000000, 0.0002276500000000, -0.0002988400000000 ] - [ -0.0000124900000000, -0.0002182400000000, 0.0003828500000000 ] - [ -0.0000328000000000, -0.0000038700000000, 0.0002175400000000 ] - [ 0.0001682500000000, 0.0004100700000000, 0.0005128200000000 ] - [ 0.0006806600000000, -0.0002377100000000, 0.0000861800000000 ] - [ 0.0002297100000000, -0.0000343600000000, -0.0001134600000000 ] - [ 0.0001747900000000, 0.0000294400000000, -0.0000011500000000 ] - [ 0.0000136300000000, 0.0001510200000000, -0.0000894400000000 ] - [ -0.0004502000000000, 0.0002859100000000, -0.0003158000000000 ] - [ -0.0003028000000000, -0.0000735000000000, -0.0003372500000000 ] - [ -0.0000217100000000, -0.0000188300000000, -0.0000360500000000 ] - [ 0.0001156200000000, 0.0000774700000000, 0.0002892600000000 ] - [ -0.0000732100000000, -0.0000643100000000, -0.0001159800000000 ] - [ 0.0017834900000000, 0.0023576300000000, -0.0028245200000000 ] - [ -0.0030017700000000, 0.0016361400000000, -0.0038535700000000 ] - [ -0.0001530700000000, 0.0001927500000000, -0.0001429900000000 ] - [ -0.0002197000000000, -0.0002947100000000, 0.0003751900000000 ] - [ 0.0006920700000000, 0.0037176000000000, 0.0033538400000000 ] - [ -0.0042761700000000, 0.0017375600000000, 0.0027486000000000 ] - [ -0.0002477100000000, -0.0000711000000000, -0.0001997000000000 ] - [ -0.0002149800000000, -0.0000309500000000, 0.0002014000000000 ] - [ -0.0002044300000000, 0.0000362800000000, -0.0005340600000000 ] - [ 0.0003277600000000, 0.0003940900000000, 0.0000539200000000 ] - [ 0.0000043400000000, -0.0002635500000000, 0.0000930600000000 ] - [ -0.0003708300000000, 0.0001989000000000, -0.0000629700000000 ] - [ 0.0002703400000000, 0.0001403500000000, 0.0001308800000000 ] - [ -0.0001945000000000, 0.0001527700000000, 0.0002894300000000 ] - [ -0.0002625400000000, 0.0000326800000000, -0.0000119800000000 ] - [ -0.0000266300000000, -0.0001949500000000, -0.0002159200000000 ] - [ 0.0483079400000000, -0.0010065100000000, 0.0037017600000000 ] - [ -0.0017529800000000, -0.0005919300000000, 0.0002189400000000 ] - [ 0.0001093100000000, -0.0000219800000000, -0.0000800900000000 ] - [ -0.0001567600000000, 0.0000411000000000, 0.0000508500000000 ] - [ 0.0014203400000000, -0.0003966400000000, -0.0001445800000000 ] - [ -0.0003513700000000, -0.0003030200000000, 0.0000325700000000 ] - [ 0.0002647400000000, -0.0000727000000000, -0.0000814800000000 ] - [ -0.0002056700000000, -0.0002081100000000, -0.0001067700000000 ] - [ -0.0000489200000000, 0.0000092800000000, -0.0000011400000000 ] - [ -0.0007095100000000, 0.0000905900000000, 0.0000674600000000 ] - [ 0.0005543600000000, 0.0007992300000000, 0.0004073800000000 ] - [ -0.0000881500000000, 0.0000271300000000, 0.0001570500000000 ] - [ 0.0000246200000000, -0.0000912900000000, -0.0000238100000000 ] - [ -0.0001692400000000, 0.0000547000000000, -0.0000643800000000 ] - [ 0.0007236500000000, 0.0030493600000000, -0.0001435600000000 ] - [ -0.0002019700000000, 0.0002649300000000, 0.0000743400000000 ] - [ 0.0015225000000000, -0.0001211100000000, 0.0000861400000000 ] - [ -0.0003872300000000, -0.0002876600000000, -0.0000509100000000 ] - [ 0.0001136800000000, 0.0000704000000000, 0.0000755000000000 ] - [ -0.0002544000000000, -0.0000423700000000, 0.0000703300000000 ] - [ -0.0001813600000000, 0.0000522700000000, -0.0000571300000000 ] - [ 0.0001451100000000, -0.0001590200000000, -0.0001053200000000 ] - [ -0.0003252200000000, -0.0000104700000000, -0.0000802000000000 ] - [ 0.0002819300000000, -0.0000565500000000, 0.0000459800000000 ] - [ -0.0000048100000000, 0.0002009700000000, -0.0001893500000000 ] - [ 0.0002359400000000, 0.0007240300000000, -0.0004864200000000 ] - [ -0.0005891000000000, 0.0002891800000000, -0.0000141700000000 ] - [ 0.0002681800000000, -0.0001474800000000, 0.0001350700000000 ] - [ -0.0000749100000000, 0.0000372200000000, 0.0000602600000000 ] - [ 0.0001830300000000, 0.0001455500000000, -0.0001538900000000 ] - [ -0.0028810700000000, -0.0008221400000000, 0.0000557700000000 ] - [ 0.0004162000000000, -0.0018166100000000, 0.0002455900000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000466900000000, 0.0001602200000000, -0.0002804000000000 ] - [ -0.0002038900000000, 0.0001785600000000, 0.0000406000000000 ] - [ 0.0003195000000000, -0.0003545100000000, 0.0000603300000000 ] - [ 0.0000016700000000, -0.0004245000000000, -0.0000183800000000 ] - [ 0.0009231000000000, 0.0071029700000000, 0.0054419700000000 ] - [ 0.0001883000000000, 0.0007684300000000, 0.0002403100000000 ] - [ 0.0000908300000000, -0.0001361300000000, 0.0000997500000000 ] - [ -0.0000047600000000, -0.0001308800000000, 0.0000488600000000 ] - [ 0.0000193300000000, 0.0000955000000000, -0.0000132800000000 ] - [ 0.0000607700000000, 0.0002251500000000, -0.0000666500000000 ] - [ -0.0002233900000000, -0.0003547900000000, 0.0000455600000000 ] - [ 0.0000148200000000, -0.0006986200000000, 0.0000543700000000 ] - [ -0.0020062400000000, 0.0049391600000000, 0.0040216200000000 ] - [ 0.0004386300000000, -0.0002595700000000, -0.0001796500000000 ] - [ 0.0001736200000000, -0.0001496100000000, 0.0000766500000000 ] - [ 0.0001629200000000, -0.0001505800000000, 0.0001474500000000 ] - [ 0.0016297900000000, 0.0054867400000000, -0.0040740000000000 ] - [ -0.0005096300000000, 0.0004963900000000, -0.0002619500000000 ] - [ -0.0000068400000000, -0.0001239700000000, -0.0000271000000000 ] - [ 0.0000038800000000, -0.0002102200000000, -0.0000407200000000 ] - [ 0.0000778700000000, 0.0003075000000000, -0.0000199400000000 ] - [ 0.0000739400000000, 0.0001007000000000, 0.0004038800000000 ] - [ -0.0001378500000000, -0.0004205400000000, 0.0000097700000000 ] - [ 0.0000686400000000, -0.0003719600000000, -0.0002433100000000 ] - [ -0.0025245000000000, 0.0059545500000000, -0.0051626700000000 ] - [ 0.0000374700000000, -0.0000755700000000, 0.0002818100000000 ] - [ -0.0000086300000000, -0.0002540800000000, -0.0000557300000000 ] - [ 0.0000410900000000, -0.0001097400000000, -0.0000257700000000 ] - [ -0.0000324200000000, 0.0011254500000000, 0.0002935700000000 ] - [ 0.0005856500000000, 0.0002647200000000, 0.0008182900000000 ] - [ -0.0000666200000000, -0.0005022300000000, 0.0003472900000000 ] - [ 0.0000825700000000, -0.0004039000000000, -0.0000325800000000 ] - [ 0.0018875400000000, 0.0008250000000000, -0.0016547600000000 ] - [ -0.0002830300000000, -0.0001385100000000, -0.0000898000000000 ] - [ 0.0000935500000000, 0.0000139800000000, -0.0001746900000000 ] - [ 0.0000494600000000, 0.0000119700000000, -0.0000435800000000 ] - [ 0.0000820300000000, 0.0002064000000000, 0.0000313200000000 ] - [ 0.0002589000000000, -0.0000254100000000, 0.0003376600000000 ] - [ -0.0001035500000000, -0.0005600700000000, -0.0000699400000000 ] - [ -0.0002445000000000, -0.0001904800000000, -0.0003100600000000 ] - [ 0.0001845800000000, -0.0004065600000000, 0.0007912500000000 ] - [ 0.0004405100000000, 0.0000530500000000, 0.0005782500000000 ] - [ 0.0001423200000000, -0.0002012300000000, -0.0001688300000000 ] - [ 0.0000798400000000, -0.0003399100000000, -0.0002183200000000 ] - [ 0.0037373100000000, 0.0041416700000000, 0.0000221600000000 ] - [ -0.0030734400000000, 0.0024207900000000, -0.0000189600000000 ] - [ -0.0000117100000000, -0.0002324100000000, 0.0003121500000000 ] - [ 0.0000349600000000, -0.0000666800000000, -0.0001355500000000 ] - [ 0.0000765400000000, -0.0002067800000000, -0.0003215800000000 ] - [ -0.0001387700000000, -0.0000750900000000, 0.0002122200000000 ] - [ 0.0002707900000000, 0.0001832900000000, -0.0001790200000000 ] - [ -0.0002331100000000, -0.0000352800000000, -0.0008118600000000 ] - [ 0.0028909300000000, 0.0010740400000000, 0.0022091200000000 ] - [ -0.0001631700000000, -0.0001006600000000, -0.0003889900000000 ] - [ -0.0000638000000000, -0.0000622700000000, 0.0000636500000000 ] - [ -0.0001090500000000, 0.0000463200000000, 0.0001470800000000 ] - [ 0.0004402600000000, -0.0007190700000000, 0.0002125800000000 ] - [ 0.0003750500000000, 0.0007168400000000, -0.0001526000000000 ] - [ 0.0000560400000000, -0.0001330000000000, -0.0001463000000000 ] - [ 0.0000554300000000, -0.0000122300000000, 0.0002203700000000 ] - [ 0.0001457700000000, -0.0000183100000000, 0.0000953600000000 ] - [ -0.0014753000000000, -0.0002704000000000, 0.0000382100000000 ] - [ -0.0000088000000000, 0.0000122900000000, -0.0002603000000000 ] - [ -0.0002046700000000, -0.0001569400000000, -0.0001079800000000 ] - [ 0.0034562100000000, 0.0049156100000000, -0.0012410700000000 ] - [ 0.0000056600000000, 0.0001169600000000, 0.0003756100000000 ] - [ -0.0000071100000000, -0.0000091600000000, 0.0003285100000000 ] - [ -0.0000312100000000, 0.0001122000000000, -0.0001007400000000 ] - [ -0.0001329900000000, 0.0001690800000000, -0.0002152900000000 ] - [ -0.0000178900000000, -0.0000115800000000, 0.0001155500000000 ] - [ 0.0000590800000000, -0.0000914000000000, 0.0003146000000000 ] - [ 0.0001065300000000, 0.0009722000000000, 0.0008925800000000 ] - [ 0.0001172000000000, 0.0003408800000000, 0.0000712500000000 ] - [ 0.0001649100000000, 0.0000458900000000, 0.0000662300000000 ] - [ -0.0001902900000000, -0.0003591500000000, 0.0000290800000000 ] - [ -0.0001731300000000, -0.0005394300000000, -0.0001322400000000 ] - [ 0.0002808500000000, 0.0005748800000000, -0.0003551700000000 ] - [ 0.0000513000000000, 0.0004454700000000, 0.0001748900000000 ] - [ 0.0000071500000000, -0.0002120600000000, 0.0003658700000000 ] - [ 0.0000415200000000, -0.0003631700000000, -0.0003594900000000 ] - [ -0.0026068100000000, 0.0018020100000000, -0.0017237100000000 ] - [ -0.0017254600000000, -0.0026716300000000, 0.0009192700000000 ] - [ -0.0001036900000000, 0.0002942300000000, -0.0000837000000000 ] - [ 0.0001550900000000, 0.0004906300000000, 0.0001048300000000 ] - [ -0.0042617000000000, 0.0027948800000000, 0.0009756500000000 ] - [ -0.0019721900000000, -0.0027961900000000, -0.0016742200000000 ] - [ -0.0001837800000000, 0.0000214300000000, -0.0002984300000000 ] - [ -0.0001230700000000, 0.0003192900000000, 0.0000646000000000 ] - [ -0.0000559200000000, -0.0006661000000000, -0.0004408500000000 ] - [ -0.0002722600000000, 0.0000579900000000, -0.0005163800000000 ] - [ -0.0002137800000000, 0.0004881300000000, 0.0004068200000000 ] - [ -0.0000130800000000, 0.0003092400000000, 0.0001385300000000 ] - [ -0.0002626000000000, 0.0000724800000000, 0.0001063700000000 ] - [ -0.0001773600000000, -0.0001888800000000, -0.0000731300000000 ] - [ -0.0000523600000000, 0.0005867500000000, 0.0001435000000000 ] - [ -0.0000335300000000, 0.0007379400000000, 0.0002167000000000 ] - [ 0.0009883300000000, -0.0436929500000000, -0.0005756500000000 ] - [ -0.0006278900000000, 0.0000125200000000, -0.0001407000000000 ] - [ 0.0000124800000000, 0.0000586400000000, -0.0001068900000000 ] - [ -0.0000067900000000, 0.0001297200000000, 0.0000151600000000 ] - [ 0.0000688800000000, -0.0020193100000000, 0.0002511900000000 ] - [ -0.0003132300000000, -0.0001007200000000, -0.0001283100000000 ] - [ 0.0001027800000000, 0.0002308600000000, 0.0000621400000000 ] - [ 0.0001047400000000, 0.0002705400000000, 0.0001933500000000 ] - [ 0.0006059600000000, 0.0005983100000000, -0.0006458800000000 ] - [ 0.0000284000000000, -0.0003573500000000, -0.0003790400000000 ] - [ 0.0001229700000000, 0.0005586300000000, 0.0004540100000000 ] - [ 0.0001159100000000, 0.0003138500000000, 0.0003585200000000 ] - [ 0.0000777400000000, 0.0000856000000000, -0.0000700900000000 ] - [ -0.0000384600000000, -0.0000760900000000, -0.0000954600000000 ] - [ -0.0019340600000000, 0.0041197100000000, 0.0000406600000000 ] - [ -0.0003313600000000, 0.0007561500000000, -0.0000305000000000 ] - [ 0.0001933200000000, -0.0019340300000000, -0.0002590500000000 ] - [ -0.0002649300000000, -0.0002240700000000, 0.0004202200000000 ] - [ 0.0000361200000000, 0.0002669800000000, 0.0000204700000000 ] - [ 0.0002656500000000, 0.0002561300000000, -0.0003833800000000 ] - [ -0.0000490900000000, 0.0000512800000000, -0.0001155600000000 ] - [ -0.0000512300000000, -0.0003939900000000, -0.0001445200000000 ] - [ 0.0003793200000000, 0.0008629800000000, 0.0003365600000000 ] - [ 0.0000102200000000, 0.0002598800000000, 0.0000165300000000 ] - [ -0.0002361900000000, 0.0004507700000000, -0.0001663400000000 ] - [ -0.0001366300000000, 0.0004575300000000, -0.0006189000000000 ] - [ 0.0001958200000000, -0.0001543100000000, 0.0003622500000000 ] - [ 0.0007766900000000, 0.0005136100000000, 0.0009633500000000 ] - [ -0.0000194400000000, 0.0001073900000000, -0.0000036800000000 ] - [ 0.0000490900000000, 0.0000059800000000, -0.0001744900000000 ] - [ 0.0008774600000000, -0.0008252600000000, 0.0000991100000000 ] - [ 0.0027502800000000, 0.0038226400000000, -0.0000993200000000 ]- atom: 97 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001954700000000, -0.0001576200000000, 0.0003308400000000 ] - [ -0.0000380200000000, -0.0001818900000000, -0.0000929100000000 ] - [ -0.0000793300000000, 0.0003578600000000, -0.0001137800000000 ] - [ 0.0002400600000000, 0.0004189300000000, 0.0000717000000000 ] - [ -0.0009666700000000, -0.0069623700000000, -0.0052456100000000 ] - [ -0.0002390300000000, -0.0006993800000000, -0.0002115800000000 ] - [ -0.0000372900000000, 0.0000666200000000, -0.0000712400000000 ] - [ 0.0000575800000000, 0.0001990700000000, -0.0000771200000000 ] - [ 0.0000938200000000, -0.0001224000000000, -0.0000243600000000 ] - [ 0.0000521600000000, -0.0001989100000000, 0.0001021900000000 ] - [ 0.0001105400000000, 0.0003278700000000, -0.0000084300000000 ] - [ -0.0001275400000000, 0.0007214100000000, -0.0000891100000000 ] - [ 0.0017969600000000, -0.0048556800000000, -0.0040688900000000 ] - [ -0.0007311400000000, 0.0001095100000000, 0.0001148000000000 ] - [ 0.0001224500000000, 0.0002979900000000, -0.0001421800000000 ] - [ 0.0001331600000000, 0.0000010300000000, -0.0000817000000000 ] - [ -0.0015910200000000, -0.0053488800000000, 0.0038362100000000 ] - [ 0.0005244700000000, -0.0004799100000000, 0.0003065500000000 ] - [ -0.0000046900000000, 0.0001064900000000, 0.0000698800000000 ] - [ -0.0000159500000000, 0.0002262900000000, -0.0000032100000000 ] - [ 0.0000941100000000, -0.0002163700000000, -0.0001453300000000 ] - [ 0.0000976500000000, -0.0001915700000000, -0.0002387500000000 ] - [ -0.0000339600000000, 0.0005091000000000, 0.0001545900000000 ] - [ -0.0002411000000000, 0.0002804000000000, 0.0000802400000000 ] - [ 0.0026437300000000, -0.0059155300000000, 0.0053391100000000 ] - [ 0.0000106200000000, -0.0000333400000000, -0.0003375700000000 ] - [ -0.0000412200000000, 0.0003658000000000, 0.0000008400000000 ] - [ -0.0000903600000000, -0.0000033100000000, 0.0000793900000000 ] - [ -0.0000151400000000, -0.0007168900000000, -0.0002895200000000 ] - [ -0.0006284700000000, -0.0006753400000000, -0.0008189000000000 ] - [ 0.0001133800000000, 0.0009147900000000, -0.0003550300000000 ] - [ -0.0000367200000000, -0.0000086900000000, 0.0000389000000000 ] - [ -0.0020762500000000, -0.0008514200000000, 0.0018575000000000 ] - [ 0.0001219900000000, 0.0001556800000000, -0.0000853800000000 ] - [ 0.0000648000000000, -0.0000315400000000, -0.0000015800000000 ] - [ 0.0001087500000000, 0.0000053400000000, 0.0002170100000000 ] - [ 0.0001986800000000, -0.0000911000000000, -0.0003639100000000 ] - [ 0.0000219200000000, -0.0000903000000000, -0.0000052900000000 ] - [ -0.0001767000000000, 0.0006717500000000, 0.0004000700000000 ] - [ -0.0000360300000000, 0.0000743400000000, -0.0000222300000000 ] - [ -0.0004628800000000, 0.0003185900000000, -0.0007921900000000 ] - [ -0.0007160900000000, 0.0000399200000000, -0.0005787000000000 ] - [ 0.0001333900000000, 0.0001070100000000, 0.0001681700000000 ] - [ 0.0001961500000000, 0.0004318800000000, 0.0002178900000000 ] - [ -0.0037070800000000, -0.0042134200000000, -0.0004160300000000 ] - [ 0.0029891900000000, -0.0023198500000000, 0.0004116600000000 ] - [ 0.0000248200000000, 0.0001532300000000, 0.0000885600000000 ] - [ -0.0000216100000000, 0.0001442700000000, -0.0002651900000000 ] - [ -0.0002034200000000, 0.0002591700000000, 0.0000092300000000 ] - [ 0.0000113500000000, 0.0000216200000000, 0.0000994900000000 ] - [ -0.0001427300000000, -0.0001306900000000, 0.0004895400000000 ] - [ 0.0003603900000000, -0.0000154800000000, 0.0005029100000000 ] - [ -0.0027727600000000, -0.0011920400000000, -0.0022799300000000 ] - [ 0.0003186900000000, 0.0002111200000000, 0.0004112100000000 ] - [ -0.0000931000000000, -0.0000540400000000, -0.0000361500000000 ] - [ -0.0000471900000000, 0.0000687000000000, -0.0001729200000000 ] - [ -0.0005498800000000, 0.0005032900000000, 0.0001286600000000 ] - [ -0.0004880700000000, -0.0005002800000000, -0.0001856600000000 ] - [ 0.0000569100000000, -0.0000838300000000, -0.0001945100000000 ] - [ 0.0000576800000000, 0.0002281800000000, 0.0001198400000000 ] - [ 0.0000568500000000, 0.0001375300000000, 0.0001280400000000 ] - [ 0.0016740300000000, 0.0001387100000000, -0.0002617200000000 ] - [ -0.0001937100000000, 0.0001069000000000, 0.0000366100000000 ] - [ 0.0000018700000000, 0.0000369000000000, 0.0003314200000000 ] - [ -0.0034896900000000, -0.0052663100000000, 0.0009102500000000 ] - [ 0.0000544400000000, 0.0000349200000000, 0.0000306200000000 ] - [ -0.0000540500000000, -0.0001440400000000, 0.0000765300000000 ] - [ -0.0000297300000000, 0.0000392800000000, -0.0003039400000000 ] - [ 0.0000648400000000, -0.0002062100000000, -0.0000129500000000 ] - [ -0.0000485000000000, 0.0000492500000000, 0.0001105700000000 ] - [ 0.0000079600000000, 0.0000547600000000, -0.0000862700000000 ] - [ -0.0000513500000000, -0.0009397200000000, -0.0011274000000000 ] - [ 0.0002055700000000, -0.0002564400000000, -0.0001212600000000 ] - [ 0.0001582100000000, -0.0001296800000000, -0.0000167700000000 ] - [ -0.0001326700000000, 0.0004414100000000, 0.0000203700000000 ] - [ -0.0001483500000000, 0.0004550500000000, 0.0000851000000000 ] - [ -0.0003331900000000, -0.0004409100000000, -0.0001920200000000 ] - [ -0.0001073000000000, -0.0005812400000000, 0.0003668800000000 ] - [ 0.0000480000000000, 0.0003453900000000, 0.0001745400000000 ] - [ 0.0000135100000000, 0.0002278800000000, -0.0001793200000000 ] - [ 0.0027311500000000, -0.0016212100000000, 0.0021324800000000 ] - [ 0.0018639200000000, 0.0024975900000000, -0.0013437900000000 ] - [ -0.0000334100000000, -0.0001156100000000, -0.0003340300000000 ] - [ -0.0002928200000000, -0.0006676700000000, 0.0003158400000000 ] - [ 0.0045425300000000, -0.0029301800000000, -0.0006468900000000 ] - [ 0.0022877600000000, 0.0029595000000000, 0.0013580500000000 ] - [ -0.0001439300000000, -0.0001814700000000, -0.0000179600000000 ] - [ -0.0002038300000000, -0.0001597000000000, 0.0002518800000000 ] - [ 0.0001106400000000, 0.0004023300000000, 0.0002850900000000 ] - [ 0.0003272300000000, 0.0002057300000000, 0.0006729200000000 ] - [ 0.0001570100000000, -0.0007504100000000, -0.0002487000000000 ] - [ -0.0000404800000000, -0.0000457500000000, -0.0002968000000000 ] - [ 0.0002472700000000, -0.0000391600000000, -0.0001221400000000 ] - [ 0.0001592200000000, 0.0001553300000000, 0.0000923900000000 ] - [ 0.0000703600000000, -0.0005536200000000, -0.0001246700000000 ] - [ 0.0000505400000000, -0.0007686900000000, -0.0002375200000000 ] - [ -0.0009658200000000, 0.0435747600000000, 0.0006232800000000 ] - [ 0.0006451400000000, 0.0000732900000000, 0.0000005300000000 ] - [ -0.0000318600000000, -0.0001454200000000, -0.0000334000000000 ] - [ -0.0000127300000000, -0.0000420000000000, 0.0001258400000000 ] - [ -0.0001911400000000, 0.0019069400000000, -0.0002253400000000 ] - [ 0.0001896300000000, 0.0002058400000000, 0.0000924900000000 ] - [ 0.0000213700000000, -0.0003369500000000, -0.0000972600000000 ] - [ 0.0000185600000000, -0.0001624900000000, -0.0001576600000000 ] - [ -0.0008202600000000, -0.0004774500000000, 0.0007890700000000 ] - [ -0.0002406400000000, 0.0002342400000000, 0.0002325000000000 ] - [ 0.0000929500000000, -0.0004355200000000, -0.0005974600000000 ] - [ 0.0000977900000000, -0.0004329500000000, -0.0002129100000000 ] - [ -0.0001610700000000, -0.0001351100000000, 0.0000745900000000 ] - [ -0.0000452900000000, 0.0001243200000000, 0.0000917200000000 ] - [ 0.0020445700000000, -0.0042193800000000, -0.0000433000000000 ] - [ 0.0004133100000000, -0.0007043100000000, 0.0000341200000000 ] - [ -0.0002310300000000, 0.0019500300000000, 0.0001442500000000 ] - [ 0.0002252800000000, 0.0002030300000000, -0.0002902700000000 ] - [ 0.0000020400000000, -0.0002463900000000, 0.0001081400000000 ] - [ -0.0002279600000000, -0.0002756400000000, 0.0002535500000000 ] - [ -0.0000608500000000, 0.0001925900000000, 0.0001511500000000 ] - [ -0.0000579300000000, 0.0001485000000000, 0.0001102500000000 ] - [ -0.0002685900000000, -0.0006169000000000, -0.0003703000000000 ] - [ 0.0000996700000000, -0.0005038900000000, 0.0000181600000000 ] - [ 0.0001414000000000, -0.0002747400000000, 0.0001092500000000 ] - [ 0.0000426300000000, -0.0006335300000000, 0.0006756400000000 ] - [ -0.0000977100000000, 0.0003278100000000, -0.0003026800000000 ] - [ -0.0006808900000000, -0.0006864500000000, -0.0010160500000000 ] - [ 0.0000562300000000, -0.0000836200000000, 0.0001844600000000 ] - [ -0.0000126500000000, -0.0000291200000000, -0.0000056300000000 ] - [ -0.0009111200000000, 0.0008470100000000, -0.0002805300000000 ] - [ -0.0027514100000000, -0.0037920700000000, 0.0002762700000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001068000000000, -0.0002116400000000, -0.0005094300000000 ] - [ -0.0000431300000000, 0.0000034300000000, -0.0002962700000000 ] - [ 0.0000748400000000, 0.0002030700000000, 0.0000895300000000 ] - [ 0.0000548200000000, -0.0000400400000000, 0.0001911900000000 ] - [ 0.0014667400000000, 0.0049084500000000, 0.0066969700000000 ] - [ 0.0000275200000000, 0.0002296900000000, 0.0007064400000000 ] - [ -0.0000967700000000, 0.0000133500000000, -0.0001928200000000 ] - [ 0.0000525900000000, 0.0000600400000000, -0.0001992600000000 ] - [ 0.0001264600000000, -0.0001718700000000, -0.0002156200000000 ] - [ 0.0002195000000000, -0.0000560000000000, -0.0004777100000000 ] - [ 0.0001042100000000, 0.0000642300000000, 0.0001139900000000 ] - [ -0.0000512200000000, 0.0002198100000000, 0.0000898600000000 ] - [ -0.0019014800000000, 0.0039816600000000, 0.0066114800000000 ] - [ 0.0000862000000000, 0.0000275300000000, 0.0006094800000000 ] - [ 0.0001134600000000, 0.0001989000000000, -0.0002697600000000 ] - [ 0.0001624300000000, 0.0000515600000000, -0.0002033400000000 ] - [ -0.0018048200000000, -0.0036312700000000, 0.0055252000000000 ] - [ 0.0004009100000000, 0.0000827300000000, 0.0004393600000000 ] - [ 0.0000320500000000, -0.0000789900000000, -0.0001818700000000 ] - [ 0.0000494800000000, 0.0000016400000000, -0.0001907200000000 ] - [ 0.0000308500000000, -0.0000436200000000, -0.0003886400000000 ] - [ 0.0001037600000000, 0.0000746800000000, -0.0004313000000000 ] - [ -0.0000539200000000, 0.0001508100000000, 0.0002138900000000 ] - [ -0.0000621000000000, -0.0002604600000000, 0.0000721400000000 ] - [ 0.0034637200000000, -0.0056854000000000, 0.0084772000000000 ] - [ 0.0002812600000000, -0.0001847600000000, 0.0003251400000000 ] - [ -0.0000204700000000, -0.0000095800000000, -0.0002569300000000 ] - [ -0.0000281300000000, -0.0001890300000000, -0.0002220800000000 ] - [ -0.0002833700000000, -0.0002230200000000, -0.0005198300000000 ] - [ -0.0003842500000000, -0.0003696300000000, -0.0003641900000000 ] - [ 0.0000332500000000, 0.0003366200000000, -0.0001206800000000 ] - [ 0.0000292000000000, -0.0002945500000000, -0.0000524600000000 ] - [ -0.0041255400000000, -0.0011196400000000, 0.0058685500000000 ] - [ -0.0000819100000000, -0.0000042100000000, 0.0000245200000000 ] - [ 0.0000798200000000, -0.0000353500000000, -0.0001001200000000 ] - [ 0.0000452100000000, -0.0000024200000000, -0.0003815500000000 ] - [ 0.0001174900000000, 0.0001726000000000, -0.0006620700000000 ] - [ -0.0000865200000000, 0.0001142800000000, -0.0001942800000000 ] - [ -0.0002474000000000, -0.0001378300000000, 0.0003663100000000 ] - [ -0.0002790700000000, -0.0001317800000000, -0.0000455100000000 ] - [ -0.0004886500000000, 0.0005664100000000, -0.0005418100000000 ] - [ -0.0006718700000000, 0.0002660400000000, -0.0005212800000000 ] - [ 0.0001586500000000, -0.0002988200000000, -0.0001564900000000 ] - [ 0.0001403900000000, -0.0001323800000000, -0.0001350500000000 ] - [ 0.0008259400000000, 0.0005100900000000, 0.0019193200000000 ] - [ 0.0007755200000000, 0.0000003200000000, 0.0022447600000000 ] - [ 0.0000100900000000, 0.0000067500000000, -0.0000782600000000 ] - [ 0.0000071300000000, 0.0000375500000000, -0.0004376600000000 ] - [ 0.0000141000000000, 0.0003447800000000, -0.0004702600000000 ] - [ 0.0000047800000000, 0.0000440000000000, -0.0001210800000000 ] - [ 0.0001024800000000, 0.0000793400000000, 0.0002498500000000 ] - [ -0.0003841900000000, 0.0003618700000000, -0.0000782000000000 ] - [ 0.0058887200000000, 0.0022198600000000, 0.0061057200000000 ] - [ -0.0000359500000000, -0.0002556700000000, 0.0001248800000000 ] - [ -0.0001068300000000, -0.0001051800000000, -0.0001032900000000 ] - [ 0.0000594800000000, 0.0000898700000000, -0.0003360900000000 ] - [ 0.0000103600000000, 0.0002250500000000, 0.0019335500000000 ] - [ -0.0002212400000000, 0.0003456800000000, 0.0015175600000000 ] - [ 0.0000431300000000, -0.0000896500000000, -0.0004294400000000 ] - [ 0.0000676600000000, 0.0001480200000000, -0.0000376100000000 ] - [ 0.0001110300000000, 0.0000669300000000, 0.0001961000000000 ] - [ 0.0003965100000000, 0.0005504500000000, 0.0002335100000000 ] - [ -0.0002164900000000, 0.0000591200000000, -0.0004108300000000 ] - [ -0.0001333000000000, 0.0000565500000000, 0.0000677300000000 ] - [ 0.0001598400000000, -0.0014999400000000, -0.0015117500000000 ] - [ 0.0000780100000000, 0.0000613500000000, 0.0001789800000000 ] - [ -0.0000513800000000, -0.0001376500000000, 0.0001454500000000 ] - [ -0.0000121000000000, -0.0000757100000000, -0.0000090500000000 ] - [ 0.0000644100000000, -0.0000920600000000, 0.0000152200000000 ] - [ -0.0000378900000000, 0.0000472400000000, 0.0000478100000000 ] - [ 0.0000573600000000, 0.0000623100000000, 0.0002814000000000 ] - [ -0.0006433600000000, 0.0004382000000000, 0.0007748800000000 ] - [ 0.0002578500000000, -0.0000424400000000, -0.0003660100000000 ] - [ 0.0001366600000000, 0.0000660000000000, -0.0002262200000000 ] - [ -0.0001862700000000, 0.0001510300000000, 0.0001757000000000 ] - [ 0.0001227000000000, -0.0004785000000000, 0.0004273100000000 ] - [ 0.0002831300000000, 0.0000017500000000, -0.0007196400000000 ] - [ 0.0001295600000000, 0.0000891000000000, -0.0000276300000000 ] - [ 0.0000437200000000, 0.0001851600000000, 0.0002050200000000 ] - [ -0.0000115300000000, -0.0001336700000000, -0.0002824100000000 ] - [ 0.0032111500000000, -0.0014799300000000, -0.0004833400000000 ] - [ 0.0030767900000000, 0.0009070800000000, -0.0011941700000000 ] - [ -0.0000521100000000, 0.0002812400000000, 0.0002781100000000 ] - [ -0.0000817600000000, -0.0000616300000000, 0.0007058300000000 ] - [ -0.0037227900000000, 0.0009191500000000, -0.0028317500000000 ] - [ -0.0031844500000000, -0.0017264400000000, -0.0028704300000000 ] - [ -0.0001649100000000, -0.0001109900000000, 0.0002110700000000 ] - [ -0.0001900500000000, 0.0000270700000000, 0.0005249700000000 ] - [ 0.0000883100000000, -0.0001726600000000, 0.0005464100000000 ] - [ 0.0001366800000000, -0.0000544700000000, 0.0007670300000000 ] - [ -0.0000441400000000, -0.0000929600000000, -0.0001631700000000 ] - [ -0.0000665600000000, 0.0002274800000000, -0.0000731700000000 ] - [ -0.0000510700000000, 0.0002509200000000, 0.0005857700000000 ] - [ -0.0000860300000000, 0.0000191500000000, 0.0005516200000000 ] - [ 0.0000059000000000, -0.0002690900000000, -0.0000110900000000 ] - [ 0.0001012600000000, 0.0000239300000000, 0.0000324300000000 ] - [ -0.0035655900000000, -0.0005517700000000, -0.0466656900000000 ] - [ 0.0002985200000000, -0.0000276800000000, -0.0003178800000000 ] - [ -0.0000000500000000, -0.0000078600000000, 0.0001419900000000 ] - [ -0.0000293600000000, 0.0000996800000000, 0.0003655300000000 ] - [ -0.0004062300000000, -0.0002365300000000, 0.0053519400000000 ] - [ 0.0000299700000000, -0.0001668600000000, -0.0000148800000000 ] - [ 0.0001123500000000, -0.0001135600000000, 0.0000275700000000 ] - [ 0.0001629200000000, 0.0003698300000000, 0.0001468900000000 ] - [ -0.0006909800000000, -0.0004710000000000, 0.0007152000000000 ] - [ -0.0002573700000000, -0.0000418600000000, 0.0003118100000000 ] - [ 0.0000926700000000, 0.0008522500000000, 0.0005880800000000 ] - [ 0.0000320300000000, 0.0000101200000000, 0.0000654400000000 ] - [ -0.0000276700000000, -0.0001080500000000, 0.0004018100000000 ] - [ -0.0000549000000000, -0.0000951700000000, 0.0004444400000000 ] - [ 0.0002170700000000, -0.0000836300000000, -0.0022184400000000 ] - [ 0.0001054100000000, -0.0000107300000000, -0.0002217200000000 ] - [ 0.0000917900000000, 0.0003070600000000, 0.0051542600000000 ] - [ -0.0000516100000000, 0.0001817100000000, 0.0000159100000000 ] - [ -0.0000139600000000, 0.0000462000000000, 0.0001248400000000 ] - [ -0.0001090900000000, -0.0001889600000000, 0.0000742800000000 ] - [ -0.0001673200000000, 0.0001832100000000, 0.0004442000000000 ] - [ 0.0000577200000000, -0.0001035800000000, 0.0005407800000000 ] - [ 0.0000233400000000, -0.0002091900000000, -0.0006262200000000 ] - [ -0.0000850500000000, -0.0001242800000000, -0.0002914900000000 ] - [ 0.0001825800000000, -0.0000491600000000, -0.0000724000000000 ] - [ -0.0000432700000000, -0.0008118900000000, 0.0007806700000000 ] - [ 0.0004728900000000, 0.0002167700000000, 0.0005483200000000 ] - [ 0.0005955100000000, 0.0005278300000000, 0.0006038400000000 ] - [ 0.0000322100000000, 0.0000034400000000, 0.0003680500000000 ] - [ 0.0000034700000000, 0.0000035800000000, 0.0003195800000000 ] - [ -0.0001441800000000, 0.0003430600000000, -0.0015940700000000 ] - [ -0.0000870500000000, -0.0001840200000000, -0.0018782200000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0001374600000000, 0.0002143700000000, 0.0005605700000000 ] - [ -0.0002019600000000, -0.0000089900000000, 0.0002431900000000 ] - [ 0.0001681800000000, -0.0001976800000000, -0.0001429900000000 ] - [ 0.0001898900000000, 0.0000335500000000, -0.0001376800000000 ] - [ -0.0015139900000000, -0.0047849900000000, -0.0065898200000000 ] - [ -0.0000815500000000, -0.0001649600000000, -0.0006793600000000 ] - [ 0.0001520500000000, -0.0000801500000000, 0.0002223700000000 ] - [ 0.0000020000000000, 0.0000065200000000, 0.0001708500000000 ] - [ -0.0000117300000000, 0.0001465700000000, 0.0001803700000000 ] - [ -0.0001068700000000, 0.0000819800000000, 0.0005146200000000 ] - [ -0.0002194000000000, -0.0000894200000000, -0.0000788900000000 ] - [ -0.0000635200000000, -0.0001956200000000, -0.0001250500000000 ] - [ 0.0017333200000000, -0.0039772900000000, -0.0066990900000000 ] - [ -0.0003793700000000, -0.0001755400000000, -0.0006745000000000 ] - [ 0.0001805700000000, -0.0000511800000000, 0.0002041800000000 ] - [ 0.0001316000000000, -0.0001999000000000, 0.0002701300000000 ] - [ 0.0018330900000000, 0.0037961100000000, -0.0057199000000000 ] - [ -0.0003904600000000, -0.0000718400000000, -0.0003930900000000 ] - [ -0.0000370900000000, 0.0000663000000000, 0.0002255000000000 ] - [ -0.0000548000000000, 0.0000110300000000, 0.0001473200000000 ] - [ 0.0001374400000000, 0.0001328100000000, 0.0002241500000000 ] - [ 0.0000653600000000, -0.0001647600000000, 0.0005974500000000 ] - [ -0.0001153100000000, -0.0000639700000000, -0.0000500100000000 ] - [ -0.0001071000000000, 0.0001720000000000, -0.0002362400000000 ] - [ -0.0032609100000000, 0.0056059500000000, -0.0082331000000000 ] - [ -0.0002259200000000, 0.0000748000000000, -0.0003827900000000 ] - [ -0.0000364000000000, 0.0001229200000000, 0.0002039200000000 ] - [ -0.0000279700000000, 0.0000750600000000, 0.0002758200000000 ] - [ 0.0002345200000000, 0.0006320700000000, 0.0005268800000000 ] - [ 0.0003394800000000, -0.0000423500000000, 0.0003553700000000 ] - [ 0.0000121100000000, 0.0000715500000000, 0.0001131900000000 ] - [ 0.0000165000000000, -0.0001160900000000, 0.0000614800000000 ] - [ 0.0038199700000000, 0.0010117100000000, -0.0055535200000000 ] - [ -0.0000759500000000, 0.0000249100000000, -0.0001991300000000 ] - [ 0.0000772100000000, 0.0000152500000000, -0.0000740800000000 ] - [ 0.0001115200000000, 0.0000230300000000, 0.0005561700000000 ] - [ 0.0001635000000000, -0.0000563200000000, 0.0003298600000000 ] - [ 0.0003698200000000, -0.0002303000000000, 0.0005267400000000 ] - [ -0.0000347300000000, 0.0002521900000000, -0.0000360100000000 ] - [ -0.0000021900000000, 0.0000173200000000, -0.0002851800000000 ] - [ 0.0002113000000000, -0.0006562500000000, 0.0005359200000000 ] - [ 0.0003995700000000, -0.0001741200000000, 0.0005275200000000 ] - [ 0.0001170400000000, 0.0002063000000000, 0.0001599700000000 ] - [ 0.0001353700000000, 0.0002237200000000, 0.0001315100000000 ] - [ -0.0008401200000000, -0.0005979600000000, -0.0023244100000000 ] - [ -0.0007922600000000, 0.0000795900000000, -0.0018413700000000 ] - [ 0.0000024500000000, -0.0000869900000000, 0.0004820000000000 ] - [ 0.0000055200000000, 0.0000424400000000, 0.0000349400000000 ] - [ -0.0001356100000000, -0.0002949500000000, 0.0001552200000000 ] - [ -0.0001291500000000, -0.0000929300000000, 0.0004357500000000 ] - [ 0.0000219100000000, -0.0000311600000000, 0.0000630100000000 ] - [ 0.0005084200000000, -0.0004109600000000, -0.0002302000000000 ] - [ -0.0059079500000000, -0.0024359500000000, -0.0062781600000000 ] - [ 0.0001936700000000, 0.0003700800000000, -0.0000998000000000 ] - [ -0.0000509800000000, -0.0000135000000000, 0.0001321400000000 ] - [ -0.0002159200000000, 0.0000286600000000, 0.0003092000000000 ] - [ -0.0001169800000000, -0.0004470300000000, -0.0015911100000000 ] - [ 0.0001010900000000, -0.0001305200000000, -0.0018607500000000 ] - [ 0.0000702500000000, -0.0001276900000000, 0.0000864100000000 ] - [ 0.0000456700000000, 0.0000690800000000, 0.0003812900000000 ] - [ 0.0000910600000000, 0.0000506700000000, 0.0000289700000000 ] - [ -0.0002047700000000, -0.0006703900000000, -0.0004583600000000 ] - [ 0.0000158100000000, 0.0000592500000000, 0.0001871900000000 ] - [ -0.0000685000000000, -0.0001744800000000, 0.0001584700000000 ] - [ -0.0000816600000000, 0.0013486100000000, 0.0011028600000000 ] - [ -0.0000166900000000, 0.0000915600000000, 0.0002295200000000 ] - [ -0.0000105400000000, -0.0000159600000000, 0.0002619800000000 ] - [ -0.0000489900000000, 0.0002285300000000, -0.0003991500000000 ] - [ -0.0001342700000000, 0.0000574700000000, -0.0002418700000000 ] - [ -0.0000295800000000, -0.0000113900000000, 0.0001764000000000 ] - [ 0.0000097700000000, -0.0000967600000000, -0.0000553200000000 ] - [ 0.0007026300000000, -0.0004103500000000, -0.0010162900000000 ] - [ 0.0000649900000000, 0.0001293000000000, 0.0003126500000000 ] - [ 0.0001860300000000, -0.0001531700000000, 0.0002799300000000 ] - [ -0.0001365400000000, -0.0000648900000000, -0.0001226400000000 ] - [ -0.0004466400000000, 0.0003941200000000, -0.0004821100000000 ] - [ -0.0003361700000000, 0.0001331200000000, 0.0001818900000000 ] - [ -0.0001865500000000, -0.0002251000000000, 0.0005662800000000 ] - [ 0.0000112200000000, -0.0000500400000000, 0.0003343800000000 ] - [ 0.0000662500000000, -0.0000026200000000, -0.0002557000000000 ] - [ -0.0030884300000000, 0.0016609000000000, 0.0009095300000000 ] - [ -0.0029277600000000, -0.0010773300000000, 0.0007647300000000 ] - [ -0.0000878700000000, -0.0000992700000000, -0.0006979900000000 ] - [ -0.0000579300000000, -0.0001190500000000, -0.0002875800000000 ] - [ 0.0040461700000000, -0.0010852100000000, 0.0031262800000000 ] - [ 0.0035170200000000, 0.0018945600000000, 0.0025753400000000 ] - [ -0.0001663400000000, -0.0000458400000000, -0.0005203600000000 ] - [ -0.0001402900000000, 0.0001294200000000, -0.0002168700000000 ] - [ -0.0000289500000000, -0.0000935100000000, -0.0007083100000000 ] - [ -0.0000797800000000, 0.0003204500000000, -0.0006050600000000 ] - [ -0.0000140000000000, -0.0001702300000000, 0.0003278300000000 ] - [ 0.0000088100000000, 0.0000363900000000, -0.0000911100000000 ] - [ 0.0000380000000000, -0.0002203300000000, -0.0006026300000000 ] - [ 0.0000729300000000, -0.0000490100000000, -0.0005355000000000 ] - [ 0.0000074700000000, 0.0002993300000000, 0.0000287300000000 ] - [ -0.0000880100000000, -0.0000535600000000, -0.0000512800000000 ] - [ 0.0036318300000000, 0.0006484700000000, 0.0468032200000000 ] - [ -0.0002787400000000, 0.0001127100000000, 0.0001792600000000 ] - [ -0.0000203000000000, -0.0000802100000000, -0.0002820100000000 ] - [ 0.0000087700000000, -0.0000118200000000, -0.0002260700000000 ] - [ 0.0002797600000000, 0.0001273200000000, -0.0052335700000000 ] - [ -0.0001510000000000, 0.0002728200000000, -0.0000239300000000 ] - [ 0.0000086800000000, 0.0000076500000000, -0.0000671900000000 ] - [ -0.0000423700000000, -0.0002639600000000, -0.0001074600000000 ] - [ 0.0004743400000000, 0.0005928400000000, -0.0005721500000000 ] - [ 0.0000407700000000, -0.0000806700000000, -0.0004562900000000 ] - [ 0.0001286000000000, -0.0007314500000000, -0.0007327100000000 ] - [ 0.0001852400000000, -0.0001310500000000, 0.0000779000000000 ] - [ -0.0000616300000000, 0.0000646600000000, -0.0003966500000000 ] - [ -0.0000357500000000, 0.0001385900000000, -0.0004500700000000 ] - [ -0.0001346100000000, 0.0000506800000000, 0.0022136600000000 ] - [ -0.0000177400000000, 0.0000556800000000, 0.0002273500000000 ] - [ -0.0001293700000000, -0.0002924100000000, -0.0053614600000000 ] - [ 0.0000154300000000, -0.0002012000000000, 0.0001117300000000 ] - [ 0.0000504500000000, -0.0000265200000000, 0.0000034200000000 ] - [ 0.0001462900000000, 0.0001694800000000, -0.0002039200000000 ] - [ 0.0000592100000000, 0.0000626300000000, -0.0004057800000000 ] - [ -0.0001654600000000, -0.0001424400000000, -0.0005795100000000 ] - [ 0.0000836200000000, 0.0004549800000000, 0.0005900500000000 ] - [ 0.0001940900000000, -0.0001217500000000, 0.0003306800000000 ] - [ -0.0002742200000000, 0.0002177800000000, 0.0000140700000000 ] - [ -0.0000458400000000, 0.0006416500000000, -0.0007217500000000 ] - [ -0.0003818900000000, -0.0000494200000000, -0.0004900700000000 ] - [ -0.0005040700000000, -0.0006942500000000, -0.0006620200000000 ] - [ 0.0000099700000000, 0.0000147400000000, -0.0001867200000000 ] - [ 0.0000388400000000, -0.0000217400000000, -0.0005015900000000 ] - [ 0.0001075300000000, -0.0003213600000000, 0.0014135400000000 ] - [ 0.0000449800000000, 0.0001558800000000, 0.0020624800000000 ]- atom: 101 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0022828200000000, 0.0013605900000000, 0.0011084000000000 ] - [ -0.0002274300000000, 0.0000283200000000, -0.0000199500000000 ] - [ -0.0000634700000000, 0.0002912800000000, 0.0000472400000000 ] - [ 0.0000833100000000, -0.0000621100000000, 0.0000451000000000 ] - [ 0.0018042500000000, 0.0008376500000000, -0.0007943900000000 ] - [ -0.0001954800000000, 0.0000649200000000, 0.0001735500000000 ] - [ -0.0001631100000000, 0.0002589200000000, -0.0000750700000000 ] - [ -0.0000293600000000, 0.0000246300000000, 0.0000389900000000 ] - [ -0.0003157500000000, 0.0007470300000000, 0.0004767600000000 ] - [ 0.0000843500000000, -0.0000173100000000, -0.0002109100000000 ] - [ -0.0003339100000000, -0.0000212400000000, 0.0000447700000000 ] - [ 0.0000111500000000, -0.0001065000000000, 0.0000133400000000 ] - [ -0.0000547800000000, 0.0001290500000000, 0.0002929500000000 ] - [ -0.0003813800000000, 0.0003573100000000, -0.0004041900000000 ] - [ 0.0002291600000000, 0.0000078800000000, 0.0000905000000000 ] - [ -0.0000599600000000, -0.0000972100000000, 0.0001150400000000 ] - [ 0.0000552200000000, -0.0000486000000000, 0.0000332200000000 ] - [ -0.0009125500000000, 0.0002678500000000, 0.0007426000000000 ] - [ -0.0000408000000000, 0.0000948400000000, -0.0000696400000000 ] - [ -0.0000911900000000, 0.0000185800000000, -0.0000333400000000 ] - [ -0.0012146400000000, 0.0002523700000000, -0.0005567100000000 ] - [ 0.0000926300000000, -0.0000866000000000, 0.0001100800000000 ] - [ -0.0001099000000000, 0.0000046800000000, 0.0000518400000000 ] - [ -0.0001260700000000, -0.0000183200000000, -0.0000221100000000 ] - [ 0.0043713400000000, -0.0037182000000000, -0.0044993500000000 ] - [ -0.0000414200000000, -0.0000091000000000, -0.0000337300000000 ] - [ 0.0001178400000000, 0.0000101900000000, -0.0000937400000000 ] - [ -0.0001386200000000, -0.0000439900000000, -0.0000008700000000 ] - [ 0.0064540200000000, 0.0040645400000000, -0.0007336500000000 ] - [ 0.0000216300000000, -0.0001531400000000, 0.0000513100000000 ] - [ 0.0000186400000000, 0.0001551600000000, 0.0001075800000000 ] - [ -0.0000144200000000, -0.0002093700000000, 0.0000187900000000 ] - [ 0.0069969300000000, 0.0024348300000000, 0.0055335000000000 ] - [ -0.0000673600000000, -0.0000725000000000, -0.0000249900000000 ] - [ -0.0000443400000000, -0.0000450000000000, -0.0000345900000000 ] - [ 0.0003040100000000, -0.0001589400000000, 0.0002680100000000 ] - [ 0.0021095400000000, -0.0009541200000000, 0.0010155100000000 ] - [ 0.0001052100000000, -0.0000201300000000, 0.0002443000000000 ] - [ -0.0000424300000000, -0.0000023700000000, 0.0001237500000000 ] - [ -0.0002267600000000, -0.0000358200000000, -0.0001781200000000 ] - [ -0.0001216300000000, -0.0000534300000000, 0.0000579400000000 ] - [ -0.0009465300000000, 0.0006562900000000, 0.0000283800000000 ] - [ 0.0001228300000000, -0.0000235200000000, -0.0000085500000000 ] - [ 0.0002069700000000, 0.0000323900000000, -0.0000272000000000 ] - [ -0.0001934300000000, -0.0001340600000000, 0.0004169500000000 ] - [ 0.0002435500000000, 0.0002079900000000, 0.0001264700000000 ] - [ -0.0000398600000000, -0.0003394800000000, 0.0005270400000000 ] - [ -0.0000734700000000, 0.0000663400000000, -0.0002004600000000 ] - [ 0.0037272800000000, 0.0012547000000000, -0.0030153800000000 ] - [ 0.0000736500000000, 0.0001419600000000, 0.0003161100000000 ] - [ 0.0000203700000000, 0.0000728000000000, 0.0000380100000000 ] - [ 0.0001981000000000, -0.0000300300000000, -0.0006712400000000 ] - [ 0.0000790600000000, 0.0000352300000000, -0.0000470800000000 ] - [ 0.0000089800000000, -0.0000834700000000, 0.0002875300000000 ] - [ -0.0001417400000000, -0.0001211100000000, -0.0000703800000000 ] - [ -0.0001521600000000, -0.0001048900000000, -0.0000775900000000 ] - [ 0.0001410500000000, -0.0001826500000000, 0.0003660700000000 ] - [ -0.0001968200000000, 0.0000518800000000, 0.0000565900000000 ] - [ -0.0001092300000000, 0.0000224100000000, -0.0003332800000000 ] - [ 0.0000300000000000, 0.0000937000000000, 0.0001552300000000 ] - [ 0.0000350900000000, -0.0000237500000000, 0.0001570800000000 ] - [ 0.0005538800000000, -0.0003863200000000, 0.0001126500000000 ] - [ -0.0000284000000000, 0.0000695200000000, 0.0000526100000000 ] - [ -0.0000052600000000, 0.0004959500000000, 0.0007472000000000 ] - [ -0.0011571000000000, 0.0008823600000000, -0.0004570100000000 ] - [ 0.0000710400000000, 0.0001662600000000, 0.0001034100000000 ] - [ -0.0001051100000000, -0.0002609800000000, -0.0002250700000000 ] - [ -0.0001849500000000, 0.0004641300000000, -0.0009497700000000 ] - [ 0.0020834500000000, 0.0036395100000000, -0.0005875000000000 ] - [ -0.0000722300000000, -0.0001166400000000, 0.0000192800000000 ] - [ 0.0000394200000000, -0.0000478700000000, 0.0002102900000000 ] - [ 0.0001515100000000, -0.0001392200000000, -0.0000116600000000 ] - [ -0.0000067300000000, 0.0000262800000000, 0.0002736000000000 ] - [ 0.0000991200000000, -0.0001822300000000, -0.0001064900000000 ] - [ -0.0003022800000000, -0.0000543300000000, 0.0001006900000000 ] - [ -0.0001101500000000, -0.0000686900000000, 0.0000015200000000 ] - [ 0.0092463500000000, -0.0029688300000000, 0.0014284300000000 ] - [ -0.0000350000000000, -0.0000895100000000, 0.0002791800000000 ] - [ -0.0000867900000000, 0.0000556800000000, 0.0002647000000000 ] - [ 0.0000515300000000, -0.0002125200000000, -0.0001741800000000 ] - [ -0.0001015400000000, -0.0000958100000000, 0.0001770800000000 ] - [ 0.0029747900000000, -0.0017177000000000, -0.0038108500000000 ] - [ 0.0000182200000000, -0.0000423000000000, -0.0000632400000000 ] - [ -0.0000710000000000, 0.0000152400000000, 0.0002285600000000 ] - [ -0.0008107300000000, -0.0012600200000000, 0.0016208400000000 ] - [ 0.0003458100000000, -0.0001810200000000, -0.0006173900000000 ] - [ 0.0002080400000000, -0.0001705100000000, -0.0001485500000000 ] - [ 0.0000274100000000, 0.0002127400000000, -0.0000191100000000 ] - [ 0.0050647300000000, -0.0022446700000000, 0.0022961100000000 ] - [ -0.0000545800000000, 0.0000538300000000, -0.0000198100000000 ] - [ -0.0000583200000000, -0.0000589400000000, 0.0001841100000000 ] - [ 0.0000416700000000, 0.0001385900000000, -0.0000674600000000 ] - [ 0.0008206500000000, -0.0044046100000000, -0.0049164900000000 ] - [ 0.0001719100000000, -0.0000276000000000, 0.0000718100000000 ] - [ 0.0003186800000000, -0.0000443000000000, -0.0000356500000000 ] - [ 0.0001450700000000, 0.0001224500000000, -0.0001352200000000 ] - [ -0.0014705400000000, 0.0000897700000000, -0.0002651300000000 ] - [ 0.0003012400000000, 0.0002942200000000, -0.0001615500000000 ] - [ -0.0002138800000000, -0.0000823600000000, -0.0000187200000000 ] - [ 0.0002557600000000, 0.0000852700000000, -0.0000316300000000 ] - [ -0.0448209600000000, 0.0018230600000000, 0.0027996200000000 ] - [ 0.0000286700000000, 0.0001067000000000, -0.0000735800000000 ] - [ -0.0000590100000000, -0.0001234600000000, 0.0000154100000000 ] - [ 0.0002495100000000, 0.0000519800000000, 0.0000138800000000 ] - [ -0.0001585300000000, 0.0001351400000000, 0.0000354000000000 ] - [ 0.0028988400000000, 0.0012083900000000, -0.0001100100000000 ] - [ -0.0001036700000000, -0.0001316400000000, -0.0000908200000000 ] - [ 0.0002524000000000, -0.0002366500000000, 0.0001779000000000 ] - [ -0.0002247600000000, -0.0000945000000000, -0.0001993900000000 ] - [ 0.0005659300000000, -0.0000783900000000, 0.0000256100000000 ] - [ -0.0003286200000000, -0.0007813700000000, -0.0005028200000000 ] - [ 0.0000398200000000, 0.0000207100000000, 0.0000854000000000 ] - [ -0.0002467200000000, 0.0000152000000000, -0.0001175800000000 ] - [ 0.0020298800000000, 0.0004367500000000, 0.0000593100000000 ] - [ -0.0001390000000000, -0.0000272900000000, 0.0000584500000000 ] - [ 0.0003144800000000, 0.0001304300000000, -0.0000043400000000 ] - [ 0.0003823400000000, 0.0003974200000000, 0.0001762000000000 ] - [ -0.0017548200000000, 0.0003289300000000, 0.0004750800000000 ] - [ 0.0003615200000000, 0.0003497900000000, 0.0000445400000000 ] - [ -0.0000532100000000, -0.0001678200000000, -0.0000312500000000 ] - [ 0.0000331300000000, 0.0000922300000000, -0.0000570900000000 ] - [ -0.0007145000000000, -0.0029805900000000, 0.0001195400000000 ] - [ 0.0002026200000000, 0.0000635300000000, -0.0000353300000000 ] - [ -0.0003783300000000, 0.0015088400000000, 0.0001012200000000 ] - [ 0.0001835500000000, -0.0001356600000000, -0.0000653900000000 ] - [ -0.0002887600000000, -0.0008904700000000, 0.0006233300000000 ] - [ 0.0006008100000000, -0.0001662500000000, -0.0000368400000000 ] - [ -0.0001472800000000, 0.0001208400000000, 0.0001199800000000 ]- atom: 101 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0025392400000000, -0.0013641300000000, -0.0010664800000000 ] - [ -0.0000119200000000, -0.0000296900000000, -0.0000309100000000 ] - [ 0.0003030800000000, -0.0002889500000000, -0.0000969300000000 ] - [ 0.0001560400000000, 0.0000608000000000, 0.0000055000000000 ] - [ -0.0018693800000000, -0.0009091300000000, 0.0007669000000000 ] - [ 0.0001442200000000, 0.0000084000000000, -0.0001461000000000 ] - [ 0.0002126600000000, -0.0003307400000000, 0.0001019100000000 ] - [ 0.0000795600000000, 0.0000480600000000, -0.0000659400000000 ] - [ 0.0004288500000000, -0.0007834800000000, -0.0005208700000000 ] - [ 0.0000262600000000, 0.0000439300000000, 0.0002490600000000 ] - [ 0.0002237700000000, -0.0000035400000000, -0.0000050000000000 ] - [ -0.0001217200000000, 0.0001344100000000, -0.0000515300000000 ] - [ -0.0002445100000000, 0.0000208400000000, -0.0002287700000000 ] - [ 0.0000830200000000, -0.0005114500000000, 0.0003425600000000 ] - [ 0.0000700700000000, 0.0001425700000000, -0.0001553600000000 ] - [ 0.0003604000000000, -0.0000506400000000, -0.0000512000000000 ] - [ -0.0000359300000000, 0.0000267500000000, -0.0000777900000000 ] - [ 0.0009337000000000, -0.0002436900000000, -0.0006927400000000 ] - [ 0.0000214500000000, -0.0001157300000000, 0.0001122300000000 ] - [ 0.0000713800000000, 0.0000029400000000, -0.0000094400000000 ] - [ 0.0013883800000000, -0.0001530700000000, 0.0003864700000000 ] - [ 0.0000822700000000, -0.0000071800000000, 0.0000565100000000 ] - [ -0.0000659700000000, 0.0000895600000000, 0.0001135700000000 ] - [ -0.0000493600000000, -0.0000751000000000, -0.0001438600000000 ] - [ -0.0042855800000000, 0.0037332200000000, 0.0044318000000000 ] - [ 0.0000824900000000, -0.0001006500000000, -0.0000214000000000 ] - [ -0.0001588600000000, 0.0001013600000000, 0.0000389400000000 ] - [ 0.0000977000000000, -0.0000661600000000, 0.0000561200000000 ] - [ -0.0061328300000000, -0.0035012000000000, 0.0007131500000000 ] - [ -0.0000672300000000, -0.0002587100000000, -0.0000546800000000 ] - [ 0.0000274000000000, 0.0002577900000000, -0.0001105000000000 ] - [ 0.0000599300000000, -0.0002023000000000, -0.0000158900000000 ] - [ -0.0072755600000000, -0.0025338900000000, -0.0055206400000000 ] - [ -0.0000917200000000, 0.0000866600000000, -0.0001517400000000 ] - [ 0.0002047100000000, 0.0000299000000000, -0.0001428100000000 ] - [ -0.0001435000000000, 0.0001735500000000, -0.0000909300000000 ] - [ -0.0017754600000000, 0.0010125500000000, -0.0012801400000000 ] - [ 0.0001716100000000, -0.0000945300000000, 0.0000878700000000 ] - [ -0.0002345700000000, 0.0001187600000000, 0.0002094900000000 ] - [ -0.0000494300000000, -0.0000795800000000, -0.0001552400000000 ] - [ -0.0001550600000000, -0.0000416700000000, -0.0000547700000000 ] - [ 0.0006710600000000, -0.0005559300000000, -0.0000324700000000 ] - [ 0.0001534600000000, -0.0000715500000000, 0.0000046700000000 ] - [ 0.0000705700000000, 0.0000641000000000, 0.0000313500000000 ] - [ 0.0001804400000000, 0.0000582000000000, -0.0008097200000000 ] - [ -0.0002584400000000, -0.0001321900000000, 0.0002701700000000 ] - [ 0.0000540200000000, 0.0002637000000000, -0.0001309500000000 ] - [ 0.0000868000000000, 0.0000109100000000, -0.0001972500000000 ] - [ -0.0039527600000000, -0.0012597800000000, 0.0028197100000000 ] - [ -0.0002028500000000, -0.0001988000000000, -0.0000063100000000 ] - [ 0.0001098600000000, -0.0000168400000000, 0.0002716200000000 ] - [ -0.0000681100000000, -0.0000261600000000, 0.0003657000000000 ] - [ 0.0000764400000000, -0.0001488900000000, 0.0000197700000000 ] - [ 0.0001465700000000, 0.0001951300000000, -0.0002596300000000 ] - [ -0.0000146100000000, 0.0000078700000000, 0.0000956600000000 ] - [ -0.0000092000000000, 0.0002229600000000, 0.0000517400000000 ] - [ -0.0002590300000000, -0.0000330900000000, -0.0000346700000000 ] - [ 0.0000904800000000, 0.0001649100000000, -0.0004004500000000 ] - [ 0.0002230700000000, -0.0002421500000000, -0.0000027900000000 ] - [ 0.0000848800000000, 0.0001264400000000, 0.0001830700000000 ] - [ 0.0001684400000000, 0.0001450600000000, 0.0000639300000000 ] - [ -0.0003474200000000, 0.0002688300000000, -0.0003350100000000 ] - [ -0.0001752800000000, 0.0000527800000000, -0.0002746100000000 ] - [ -0.0001965300000000, -0.0006158000000000, -0.0005237100000000 ] - [ 0.0012127500000000, -0.0010395200000000, 0.0000576400000000 ] - [ -0.0000101900000000, -0.0000142700000000, 0.0002982700000000 ] - [ 0.0000446700000000, 0.0001077100000000, 0.0006249600000000 ] - [ 0.0001225700000000, -0.0003128600000000, 0.0005486200000000 ] - [ -0.0021451300000000, -0.0037117500000000, 0.0003670900000000 ] - [ 0.0000059700000000, 0.0001559000000000, 0.0002088800000000 ] - [ 0.0000271700000000, 0.0000086300000000, 0.0000177600000000 ] - [ -0.0000854500000000, 0.0001800000000000, -0.0002172300000000 ] - [ 0.0003203300000000, 0.0000529200000000, -0.0003231900000000 ] - [ 0.0002244000000000, 0.0001016800000000, 0.0001520200000000 ] - [ -0.0000209400000000, 0.0001347300000000, -0.0000544200000000 ] - [ -0.0002130200000000, -0.0000106900000000, -0.0000471300000000 ] - [ -0.0097394000000000, 0.0032734400000000, -0.0020309600000000 ] - [ -0.0000205600000000, -0.0000431500000000, 0.0002622500000000 ] - [ 0.0001424800000000, 0.0000768200000000, 0.0002769500000000 ] - [ 0.0000037200000000, 0.0000813400000000, -0.0003673300000000 ] - [ 0.0002365600000000, 0.0002706600000000, 0.0002437900000000 ] - [ -0.0028371600000000, 0.0015198300000000, 0.0033590400000000 ] - [ -0.0001514600000000, 0.0002155200000000, -0.0003549200000000 ] - [ -0.0000628600000000, -0.0001896900000000, 0.0001883200000000 ] - [ 0.0011595900000000, 0.0011061600000000, -0.0013072800000000 ] - [ -0.0000199800000000, 0.0003383800000000, 0.0002972800000000 ] - [ -0.0005327100000000, 0.0000080200000000, -0.0001730600000000 ] - [ -0.0003533300000000, -0.0000521400000000, 0.0003402700000000 ] - [ -0.0049689800000000, 0.0019520200000000, -0.0024099700000000 ] - [ 0.0001081800000000, 0.0002083900000000, 0.0001733800000000 ] - [ 0.0000052300000000, -0.0002050400000000, -0.0000310700000000 ] - [ -0.0000934900000000, 0.0001238500000000, -0.0000855600000000 ] - [ -0.0008311800000000, 0.0044901500000000, 0.0049428100000000 ] - [ -0.0001919800000000, -0.0000081800000000, -0.0000476700000000 ] - [ -0.0002992200000000, 0.0000784300000000, 0.0000591500000000 ] - [ -0.0001249100000000, -0.0001588100000000, 0.0001113400000000 ] - [ 0.0014897300000000, -0.0001722900000000, 0.0004210800000000 ] - [ -0.0002809000000000, -0.0002068500000000, 0.0000192100000000 ] - [ 0.0001941500000000, -0.0000031700000000, -0.0001227800000000 ] - [ -0.0002760400000000, 0.0000012600000000, 0.0001739700000000 ] - [ 0.0448751900000000, -0.0019176000000000, -0.0026197400000000 ] - [ -0.0001530000000000, 0.0000000900000000, 0.0000418600000000 ] - [ 0.0001833200000000, 0.0000157900000000, -0.0000471500000000 ] - [ -0.0001253500000000, 0.0000547700000000, 0.0000178200000000 ] - [ -0.0000511700000000, -0.0000172900000000, 0.0001108300000000 ] - [ -0.0031365700000000, -0.0013458500000000, -0.0000363900000000 ] - [ 0.0003141600000000, 0.0002502400000000, -0.0000554100000000 ] - [ -0.0000420400000000, 0.0001189500000000, -0.0000335500000000 ] - [ 0.0001409400000000, 0.0000402000000000, 0.0001988300000000 ] - [ -0.0006414900000000, 0.0001280900000000, -0.0000274900000000 ] - [ 0.0004105100000000, 0.0007320900000000, 0.0004996600000000 ] - [ 0.0000395600000000, 0.0000314200000000, -0.0000825500000000 ] - [ 0.0002078100000000, 0.0000065900000000, -0.0000113300000000 ] - [ -0.0020703700000000, -0.0004572300000000, 0.0000652000000000 ] - [ 0.0001779000000000, 0.0000484200000000, 0.0000708500000000 ] - [ -0.0002763900000000, -0.0001507500000000, -0.0001239300000000 ] - [ -0.0004941800000000, -0.0001522800000000, -0.0001413100000000 ] - [ 0.0016450300000000, -0.0005685400000000, -0.0005198300000000 ] - [ -0.0002518900000000, -0.0001071500000000, -0.0000775800000000 ] - [ 0.0001640800000000, -0.0000761200000000, 0.0000632100000000 ] - [ -0.0001323500000000, 0.0000889100000000, 0.0000022900000000 ] - [ 0.0006101900000000, 0.0027928000000000, -0.0000651700000000 ] - [ -0.0001027300000000, 0.0001172700000000, 0.0000907600000000 ] - [ 0.0004662200000000, -0.0016883000000000, -0.0001562600000000 ] - [ -0.0001503500000000, 0.0001663200000000, 0.0002460600000000 ] - [ 0.0003239600000000, 0.0008623800000000, -0.0008007900000000 ] - [ -0.0006324900000000, 0.0001929100000000, -0.0001441700000000 ] - [ 0.0001099400000000, -0.0001501800000000, 0.0000635600000000 ]- atom: 101 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0013708300000000, 0.0089048400000000, 0.0061067400000000 ] - [ -0.0001976300000000, 0.0001638600000000, -0.0000256200000000 ] - [ 0.0003362900000000, -0.0003333000000000, -0.0001299500000000 ] - [ 0.0000575300000000, -0.0002139100000000, 0.0000825200000000 ] - [ 0.0015670500000000, 0.0042494600000000, -0.0024913400000000 ] - [ 0.0000337600000000, 0.0003095500000000, -0.0000585600000000 ] - [ 0.0001467500000000, -0.0002973200000000, 0.0001539800000000 ] - [ 0.0000374200000000, -0.0001877200000000, -0.0000385000000000 ] - [ 0.0007922600000000, -0.0002545400000000, -0.0003513500000000 ] - [ 0.0000508600000000, 0.0002409500000000, 0.0001925800000000 ] - [ -0.0001788700000000, -0.0002142900000000, -0.0000321900000000 ] - [ -0.0000265000000000, -0.0002757700000000, 0.0000880000000000 ] - [ -0.0002137900000000, 0.0002295100000000, -0.0001281100000000 ] - [ 0.0002338700000000, -0.0002185700000000, 0.0002782200000000 ] - [ 0.0001738700000000, -0.0002639000000000, -0.0000295400000000 ] - [ 0.0001731900000000, -0.0002325700000000, -0.0000871500000000 ] - [ -0.0000419000000000, 0.0001774000000000, 0.0003139600000000 ] - [ -0.0003639100000000, 0.0004213800000000, 0.0000758500000000 ] - [ 0.0000222800000000, -0.0001261600000000, 0.0001049000000000 ] - [ -0.0000539800000000, -0.0004135300000000, -0.0001001000000000 ] - [ 0.0002803300000000, 0.0007946300000000, -0.0005056800000000 ] - [ 0.0001613000000000, 0.0000689800000000, -0.0001803700000000 ] - [ -0.0000918900000000, -0.0003257200000000, 0.0000711800000000 ] - [ -0.0000486400000000, -0.0001473700000000, -0.0001233000000000 ] - [ -0.0027526600000000, 0.0067857800000000, 0.0058119600000000 ] - [ 0.0001152000000000, -0.0000234500000000, 0.0001518600000000 ] - [ -0.0000385000000000, -0.0005071600000000, -0.0002229700000000 ] - [ 0.0000201300000000, -0.0000759000000000, 0.0001430100000000 ] - [ 0.0031491400000000, 0.0042527800000000, 0.0000300600000000 ] - [ 0.0000651900000000, -0.0000713800000000, 0.0001258900000000 ] - [ -0.0001371000000000, -0.0002953000000000, 0.0000798200000000 ] - [ 0.0000559800000000, -0.0003064200000000, 0.0000494200000000 ] - [ 0.0023318900000000, 0.0009312300000000, 0.0018689400000000 ] - [ -0.0001427800000000, 0.0000175800000000, -0.0000146900000000 ] - [ 0.0001424200000000, -0.0000385300000000, -0.0002290300000000 ] - [ 0.0000539400000000, 0.0000238100000000, 0.0002318100000000 ] - [ -0.0008602600000000, 0.0036842400000000, -0.0026690800000000 ] - [ 0.0001700900000000, -0.0000082900000000, 0.0001877900000000 ] - [ -0.0001374600000000, -0.0004845800000000, 0.0001703800000000 ] - [ -0.0000952400000000, -0.0001367500000000, -0.0002239400000000 ] - [ -0.0000930100000000, -0.0000279000000000, 0.0001186100000000 ] - [ 0.0003485200000000, 0.0005215500000000, 0.0001278400000000 ] - [ 0.0001322600000000, -0.0000582400000000, 0.0000446300000000 ] - [ 0.0000271800000000, -0.0005586900000000, -0.0000733900000000 ] - [ 0.0001753200000000, 0.0008193800000000, -0.0004297200000000 ] - [ 0.0004587600000000, 0.0005072600000000, 0.0009022400000000 ] - [ -0.0001661500000000, -0.0008487300000000, 0.0006505400000000 ] - [ 0.0000163700000000, -0.0002162100000000, -0.0000275800000000 ] - [ 0.0026979300000000, -0.0004334500000000, -0.0030176400000000 ] - [ -0.0001872700000000, -0.0000349500000000, 0.0000344500000000 ] - [ 0.0002411800000000, 0.0001847500000000, -0.0000355600000000 ] - [ 0.0000077700000000, -0.0000443600000000, -0.0002930000000000 ] - [ 0.0001451500000000, -0.0001304800000000, -0.0002177200000000 ] - [ -0.0000977800000000, 0.0000609200000000, -0.0000994500000000 ] - [ -0.0000493400000000, -0.0000410500000000, -0.0000669800000000 ] - [ -0.0014827400000000, 0.0001921000000000, 0.0000885300000000 ] - [ 0.0003704800000000, -0.0004811500000000, 0.0010448900000000 ] - [ 0.0005032600000000, 0.0002705100000000, -0.0006690000000000 ] - [ 0.0000369600000000, -0.0002624500000000, 0.0000880400000000 ] - [ -0.0000429200000000, -0.0002104000000000, 0.0000615900000000 ] - [ 0.0001279600000000, 0.0000694700000000, 0.0001212700000000 ] - [ 0.0000302100000000, -0.0002521500000000, -0.0004644100000000 ] - [ -0.0001609200000000, 0.0002609100000000, -0.0001020600000000 ] - [ -0.0003048800000000, -0.0002392900000000, -0.0002324400000000 ] - [ -0.0002003200000000, 0.0010450600000000, 0.0007436400000000 ] - [ 0.0000145900000000, 0.0000465500000000, 0.0002049900000000 ] - [ 0.0000175100000000, -0.0000213300000000, 0.0003699600000000 ] - [ -0.0000421000000000, 0.0001311800000000, -0.0005826300000000 ] - [ 0.0028053400000000, 0.0056889300000000, -0.0007916600000000 ] - [ -0.0000052500000000, -0.0000013900000000, 0.0001970900000000 ] - [ -0.0000414100000000, -0.0001241900000000, 0.0002908000000000 ] - [ 0.0000168900000000, 0.0000712700000000, -0.0000324300000000 ] - [ 0.0003033600000000, 0.0020594900000000, 0.0001081600000000 ] - [ 0.0001317500000000, 0.0002058300000000, -0.0001197100000000 ] - [ -0.0001443500000000, -0.0002894000000000, 0.0000312100000000 ] - [ -0.0002136900000000, -0.0001752500000000, -0.0000866200000000 ] - [ -0.0029158200000000, 0.0026010800000000, -0.0007247200000000 ] - [ -0.0000062900000000, 0.0000405200000000, 0.0002783400000000 ] - [ 0.0000117000000000, -0.0001768700000000, 0.0002869100000000 ] - [ 0.0000255700000000, -0.0002294300000000, -0.0001968500000000 ] - [ -0.0001019100000000, -0.0001581700000000, -0.0005170100000000 ] - [ -0.0021405800000000, -0.0026435800000000, -0.0011484100000000 ] - [ -0.0001043100000000, 0.0002912300000000, -0.0004964800000000 ] - [ -0.0000223500000000, 0.0007926300000000, 0.0005874100000000 ] - [ -0.0028809700000000, 0.0008814400000000, -0.0017549200000000 ] - [ 0.0000892400000000, -0.0003864100000000, 0.0002164900000000 ] - [ -0.0001613600000000, 0.0001896300000000, -0.0002932000000000 ] - [ 0.0001577300000000, 0.0006103100000000, 0.0000093000000000 ] - [ -0.0021462200000000, -0.0026645500000000, 0.0016678800000000 ] - [ -0.0001863200000000, 0.0001070800000000, 0.0000576400000000 ] - [ 0.0000041900000000, 0.0005072600000000, 0.0000570000000000 ] - [ -0.0000190200000000, 0.0002251600000000, -0.0000297700000000 ] - [ -0.0060650300000000, 0.0007675800000000, 0.0030587300000000 ] - [ -0.0001357600000000, -0.0003182100000000, 0.0000445100000000 ] - [ -0.0000611100000000, 0.0003668900000000, 0.0000651900000000 ] - [ 0.0000542000000000, 0.0002603400000000, -0.0000287900000000 ] - [ 0.0003553900000000, -0.0020101200000000, -0.0001038600000000 ] - [ -0.0003468200000000, -0.0001111800000000, -0.0002906700000000 ] - [ -0.0000294700000000, 0.0002416700000000, -0.0000101400000000 ] - [ 0.0002498600000000, 0.0002597500000000, -0.0002458300000000 ] - [ 0.0018058400000000, -0.0418108300000000, -0.0081272600000000 ] - [ -0.0001158000000000, -0.0000201100000000, -0.0000466200000000 ] - [ 0.0001326200000000, 0.0002737600000000, 0.0000270700000000 ] - [ 0.0000613600000000, 0.0001530900000000, -0.0000281600000000 ] - [ 0.0000397900000000, 0.0001578900000000, 0.0000249200000000 ] - [ 0.0008668200000000, -0.0009560900000000, 0.0002178200000000 ] - [ 0.0001346300000000, 0.0000701300000000, -0.0001003900000000 ] - [ 0.0000475200000000, 0.0004429600000000, 0.0000872500000000 ] - [ 0.0006198900000000, 0.0007065200000000, 0.0009179100000000 ] - [ 0.0000900300000000, -0.0001376400000000, -0.0003147800000000 ] - [ 0.0000304800000000, 0.0005612900000000, 0.0005408800000000 ] - [ -0.0001546000000000, 0.0004031000000000, -0.0001324800000000 ] - [ -0.0000013800000000, -0.0002634800000000, -0.0000959100000000 ] - [ -0.0005973800000000, 0.0000789400000000, 0.0000979900000000 ] - [ 0.0000326400000000, 0.0001378600000000, 0.0000250500000000 ] - [ 0.0002171100000000, 0.0007079600000000, 0.0002625100000000 ] - [ -0.0000750300000000, -0.0001364300000000, 0.0001877900000000 ] - [ 0.0000501900000000, -0.0021457800000000, 0.0003977000000000 ] - [ 0.0001572300000000, 0.0003716000000000, 0.0001143100000000 ] - [ 0.0000747400000000, 0.0001063600000000, -0.0000321000000000 ] - [ -0.0000988200000000, 0.0002234000000000, -0.0000955000000000 ] - [ -0.0019177200000000, 0.0039683300000000, 0.0001785100000000 ] - [ 0.0000499300000000, -0.0000460500000000, 0.0000222900000000 ] - [ 0.0024615500000000, 0.0033446200000000, -0.0001897200000000 ] - [ 0.0000375100000000, 0.0003621500000000, 0.0003149200000000 ] - [ -0.0000310900000000, 0.0004399800000000, -0.0007456200000000 ] - [ 0.0000833200000000, -0.0003178400000000, 0.0000698100000000 ] - [ 0.0008369500000000, 0.0003926100000000, -0.0006307600000000 ]- atom: 101 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0016006300000000, -0.0086533100000000, -0.0058069400000000 ] - [ -0.0000441300000000, -0.0001667500000000, -0.0000266300000000 ] - [ -0.0000951700000000, 0.0003365600000000, 0.0000800300000000 ] - [ 0.0001833200000000, 0.0002092000000000, -0.0000306000000000 ] - [ -0.0016181900000000, -0.0041800100000000, 0.0023190000000000 ] - [ -0.0000862900000000, -0.0002387700000000, 0.0000859500000000 ] - [ -0.0000956100000000, 0.0002273100000000, -0.0001272400000000 ] - [ 0.0000150900000000, 0.0002565200000000, 0.0000101300000000 ] - [ -0.0006734100000000, 0.0002266000000000, 0.0003148600000000 ] - [ 0.0000618200000000, -0.0002143300000000, -0.0001562900000000 ] - [ 0.0000661700000000, 0.0001879900000000, 0.0000696400000000 ] - [ -0.0000859600000000, 0.0003008100000000, -0.0001245200000000 ] - [ -0.0000826500000000, -0.0000800100000000, 0.0001924500000000 ] - [ -0.0005273700000000, 0.0000680800000000, -0.0003413300000000 ] - [ 0.0001223100000000, 0.0004122700000000, -0.0000364700000000 ] - [ 0.0001238200000000, 0.0000835700000000, 0.0001533200000000 ] - [ 0.0000539700000000, -0.0001941900000000, -0.0003565300000000 ] - [ 0.0003812300000000, -0.0004033200000000, -0.0000325400000000 ] - [ -0.0000340100000000, 0.0001089600000000, -0.0000615100000000 ] - [ 0.0000421300000000, 0.0004286000000000, 0.0000555000000000 ] - [ -0.0001077200000000, -0.0007042800000000, 0.0003409900000000 ] - [ 0.0000107900000000, -0.0001599500000000, 0.0003440400000000 ] - [ -0.0000798300000000, 0.0004146600000000, 0.0000953100000000 ] - [ -0.0001224800000000, 0.0000559400000000, -0.0000424200000000 ] - [ 0.0029039500000000, -0.0067522100000000, -0.0059099600000000 ] - [ -0.0000657000000000, -0.0000886000000000, -0.0002060000000000 ] - [ -0.0000109300000000, 0.0006160400000000, 0.0001669400000000 ] - [ -0.0000690700000000, -0.0000362100000000, -0.0000884000000000 ] - [ -0.0031460000000000, -0.0038346100000000, -0.0000273900000000 ] - [ -0.0001109200000000, -0.0003400000000000, -0.0001316900000000 ] - [ 0.0001828000000000, 0.0007052800000000, -0.0000846500000000 ] - [ -0.0000099400000000, -0.0001055500000000, -0.0000437200000000 ] - [ -0.0025210300000000, -0.0009603300000000, -0.0017422100000000 ] - [ -0.0000156600000000, -0.0000006300000000, -0.0001608200000000 ] - [ 0.0000163900000000, 0.0000211600000000, 0.0000519600000000 ] - [ 0.0001049400000000, -0.0000066700000000, -0.0000548000000000 ] - [ 0.0011937900000000, -0.0036235800000000, 0.0024082100000000 ] - [ 0.0001105000000000, -0.0001071800000000, 0.0001436000000000 ] - [ -0.0001432200000000, 0.0005969000000000, 0.0001635500000000 ] - [ -0.0001854500000000, 0.0000210400000000, -0.0001089600000000 ] - [ -0.0001826800000000, -0.0000642400000000, -0.0001190900000000 ] - [ -0.0006239000000000, -0.0004293800000000, -0.0001282900000000 ] - [ 0.0001433500000000, -0.0000334700000000, -0.0000445700000000 ] - [ 0.0002481300000000, 0.0006465700000000, 0.0000732200000000 ] - [ -0.0001902100000000, -0.0008981100000000, 0.0000310900000000 ] - [ -0.0004688500000000, -0.0004280800000000, -0.0004976000000000 ] - [ 0.0001806600000000, 0.0007719100000000, -0.0002523000000000 ] - [ -0.0000029500000000, 0.0002932600000000, -0.0003728000000000 ] - [ -0.0028584500000000, 0.0004914200000000, 0.0027404300000000 ] - [ 0.0000602100000000, -0.0000177000000000, 0.0002774600000000 ] - [ -0.0001133600000000, -0.0001313700000000, 0.0003464700000000 ] - [ 0.0001201600000000, -0.0000089100000000, -0.0000213200000000 ] - [ 0.0000111900000000, 0.0000144000000000, 0.0001888900000000 ] - [ 0.0002513300000000, 0.0000550000000000, 0.0001272000000000 ] - [ -0.0001073800000000, -0.0000747100000000, 0.0000942200000000 ] - [ 0.0013161400000000, -0.0000901200000000, -0.0001168600000000 ] - [ -0.0004862900000000, 0.0002680300000000, -0.0007085400000000 ] - [ -0.0006125400000000, -0.0000526400000000, 0.0003260100000000 ] - [ 0.0000762400000000, 0.0000448600000000, -0.0004277100000000 ] - [ 0.0001567600000000, 0.0004271300000000, 0.0002785000000000 ] - [ 0.0000750700000000, 0.0000500200000000, 0.0001019000000000 ] - [ 0.0001731100000000, 0.0001319900000000, 0.0002451800000000 ] - [ -0.0000421700000000, -0.0001402000000000, -0.0001211400000000 ] - [ 0.0001007200000000, 0.0001173100000000, 0.0004519700000000 ] - [ 0.0002435100000000, -0.0012025900000000, -0.0011595600000000 ] - [ 0.0000464700000000, 0.0001060200000000, 0.0002007100000000 ] - [ -0.0000792300000000, -0.0001306600000000, 0.0000371100000000 ] - [ -0.0000210900000000, 0.0000228600000000, 0.0001746500000000 ] - [ -0.0029613500000000, -0.0059518100000000, 0.0006451100000000 ] - [ -0.0000615500000000, 0.0000389200000000, 0.0000287600000000 ] - [ 0.0001075000000000, 0.0000853500000000, -0.0000643200000000 ] - [ 0.0000503900000000, -0.0000337900000000, -0.0001927700000000 ] - [ 0.0000300800000000, -0.0019800200000000, -0.0001631800000000 ] - [ 0.0001908000000000, -0.0002891600000000, 0.0001676300000000 ] - [ -0.0001787600000000, 0.0003718000000000, 0.0000186700000000 ] - [ -0.0001094700000000, 0.0000908100000000, 0.0000367200000000 ] - [ 0.0028065700000000, -0.0024554500000000, 0.0001805200000000 ] - [ -0.0000490000000000, -0.0001746900000000, 0.0002616600000000 ] - [ 0.0000435800000000, 0.0003099600000000, 0.0002537900000000 ] - [ 0.0000298500000000, 0.0000944200000000, -0.0003435700000000 ] - [ 0.0002392700000000, 0.0003367600000000, 0.0009356600000000 ] - [ 0.0022750200000000, 0.0024668100000000, 0.0007318400000000 ] - [ -0.0000323300000000, -0.0001143500000000, 0.0000775700000000 ] - [ -0.0001147900000000, -0.0009660500000000, -0.0001665400000000 ] - [ 0.0032038200000000, -0.0010306100000000, 0.0020580600000000 ] - [ 0.0002374500000000, 0.0005435900000000, -0.0005318500000000 ] - [ -0.0001656200000000, -0.0003491500000000, -0.0000240700000000 ] - [ -0.0004857400000000, -0.0004501500000000, 0.0003093300000000 ] - [ 0.0021912800000000, 0.0024090500000000, -0.0018281500000000 ] - [ 0.0002404900000000, 0.0001557300000000, 0.0000991000000000 ] - [ -0.0000589900000000, -0.0007673100000000, 0.0000960200000000 ] - [ -0.0000348500000000, 0.0000375300000000, -0.0001254600000000 ] - [ 0.0059948800000000, -0.0007310300000000, -0.0030684700000000 ] - [ 0.0001179600000000, 0.0002847900000000, -0.0000229200000000 ] - [ 0.0000791100000000, -0.0003334800000000, -0.0000440200000000 ] - [ -0.0000364500000000, -0.0002918500000000, 0.0000082300000000 ] - [ -0.0003352700000000, 0.0019144800000000, 0.0002584400000000 ] - [ 0.0003653100000000, 0.0001974000000000, 0.0001503400000000 ] - [ 0.0000107400000000, -0.0003280700000000, -0.0001298500000000 ] - [ -0.0002699700000000, -0.0001713300000000, 0.0003865700000000 ] - [ -0.0019322300000000, 0.0416867900000000, 0.0081000500000000 ] - [ -0.0000075000000000, 0.0001257100000000, 0.0000111100000000 ] - [ -0.0000086800000000, -0.0003792800000000, -0.0000627300000000 ] - [ 0.0000621000000000, -0.0000464300000000, 0.0000645200000000 ] - [ -0.0002523400000000, -0.0000375400000000, 0.0001203500000000 ] - [ -0.0010796100000000, 0.0008359900000000, -0.0003635500000000 ] - [ 0.0000783400000000, 0.0000494900000000, -0.0000438800000000 ] - [ 0.0001650000000000, -0.0005611400000000, 0.0000566900000000 ] - [ -0.0007018000000000, -0.0007517000000000, -0.0009089000000000 ] - [ -0.0001725200000000, 0.0001836900000000, 0.0003091400000000 ] - [ 0.0000541400000000, -0.0006078200000000, -0.0005439900000000 ] - [ 0.0002389300000000, -0.0003525800000000, 0.0001354300000000 ] - [ -0.0000368800000000, 0.0002825300000000, -0.0000329200000000 ] - [ 0.0005550300000000, -0.0001009700000000, 0.0000302300000000 ] - [ 0.0000051500000000, -0.0001170100000000, 0.0001044600000000 ] - [ -0.0001785500000000, -0.0007274700000000, -0.0003911100000000 ] - [ -0.0000377000000000, 0.0003807300000000, -0.0001517100000000 ] - [ -0.0001583900000000, 0.0018927200000000, -0.0004428100000000 ] - [ -0.0000460200000000, -0.0001236500000000, -0.0001496600000000 ] - [ 0.0000347600000000, -0.0003501600000000, 0.0000660300000000 ] - [ 0.0000034000000000, -0.0000463400000000, 0.0000391300000000 ] - [ 0.0018494100000000, -0.0041940800000000, -0.0001211100000000 ] - [ 0.0000463100000000, 0.0002211200000000, 0.0000350000000000 ] - [ -0.0023332100000000, -0.0034739100000000, 0.0001292000000000 ] - [ -0.0000012600000000, -0.0003369200000000, -0.0001331500000000 ] - [ 0.0000687600000000, -0.0004615100000000, 0.0005649400000000 ] - [ -0.0001169900000000, 0.0003383500000000, -0.0002481700000000 ] - [ -0.0008732400000000, -0.0004132900000000, 0.0008094900000000 ]- atom: 101 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0010849300000000, 0.0056677500000000, 0.0063974700000000 ] - [ -0.0000528500000000, -0.0000724400000000, -0.0003262700000000 ] - [ 0.0002379900000000, -0.0001636800000000, 0.0001769700000000 ] - [ 0.0001135000000000, 0.0000563800000000, -0.0001593900000000 ] - [ -0.0014892900000000, -0.0027519900000000, 0.0036315200000000 ] - [ 0.0000447800000000, 0.0000945400000000, -0.0002848400000000 ] - [ 0.0000331800000000, 0.0001972400000000, 0.0001291200000000 ] - [ 0.0001038600000000, 0.0000178500000000, -0.0002086500000000 ] - [ 0.0007980400000000, -0.0001556500000000, 0.0003933600000000 ] - [ -0.0000802800000000, 0.0000140900000000, -0.0004909600000000 ] - [ -0.0001608700000000, -0.0000836900000000, 0.0003299100000000 ] - [ -0.0000415500000000, 0.0001466800000000, -0.0002479800000000 ] - [ -0.0000238700000000, -0.0000079000000000, -0.0004507300000000 ] - [ -0.0004910000000000, -0.0000846500000000, 0.0000143000000000 ] - [ 0.0001249100000000, 0.0000298800000000, -0.0002510400000000 ] - [ 0.0003114100000000, 0.0000017100000000, 0.0001224900000000 ] - [ -0.0000007900000000, 0.0001291500000000, -0.0005969800000000 ] - [ -0.0003698200000000, -0.0000593600000000, 0.0004449600000000 ] - [ -0.0000811500000000, 0.0000549100000000, -0.0001792200000000 ] - [ 0.0000139500000000, 0.0000881900000000, 0.0001047700000000 ] - [ -0.0001111300000000, -0.0002082700000000, 0.0005700100000000 ] - [ 0.0002234800000000, -0.0002873300000000, -0.0005028000000000 ] - [ -0.0000446100000000, -0.0000284300000000, 0.0003439800000000 ] - [ 0.0000096500000000, -0.0001179500000000, -0.0002801000000000 ] - [ -0.0032796600000000, 0.0062670500000000, 0.0085778300000000 ] - [ -0.0000851800000000, 0.0000260300000000, -0.0003635200000000 ] - [ -0.0001129300000000, -0.0001181600000000, 0.0001794400000000 ] - [ -0.0000422500000000, 0.0000562200000000, -0.0002571600000000 ] - [ -0.0009338800000000, 0.0002881700000000, 0.0022426000000000 ] - [ -0.0000037000000000, -0.0002961400000000, -0.0004132700000000 ] - [ -0.0000123500000000, -0.0000100300000000, 0.0002882200000000 ] - [ 0.0000184400000000, -0.0001395300000000, -0.0002348800000000 ] - [ 0.0046572700000000, 0.0016123600000000, 0.0049187200000000 ] - [ 0.0000205700000000, 0.0001582800000000, -0.0002262000000000 ] - [ 0.0001347600000000, 0.0000161300000000, -0.0000477400000000 ] - [ 0.0001328100000000, 0.0001317500000000, -0.0002776100000000 ] - [ 0.0013076000000000, -0.0025307200000000, 0.0052296300000000 ] - [ 0.0000777400000000, -0.0000786900000000, -0.0001017000000000 ] - [ -0.0001921900000000, 0.0003274500000000, 0.0004291500000000 ] - [ -0.0002048900000000, -0.0002117900000000, -0.0004120400000000 ] - [ -0.0001436000000000, -0.0000547800000000, -0.0003750400000000 ] - [ 0.0002179300000000, -0.0002370300000000, 0.0017506000000000 ] - [ 0.0001538000000000, -0.0000919300000000, -0.0002635600000000 ] - [ 0.0000520400000000, 0.0000593200000000, 0.0003997600000000 ] - [ 0.0002641500000000, 0.0003379000000000, -0.0005690300000000 ] - [ -0.0004300400000000, 0.0001214600000000, -0.0003962900000000 ] - [ 0.0000170600000000, 0.0000917800000000, 0.0001051600000000 ] - [ 0.0000043300000000, 0.0001905100000000, -0.0003124700000000 ] - [ -0.0030629100000000, -0.0012305700000000, 0.0044070600000000 ] - [ 0.0000028800000000, 0.0003383700000000, 0.0002614000000000 ] - [ 0.0000301300000000, 0.0000743200000000, 0.0002076800000000 ] - [ 0.0000301100000000, -0.0001453100000000, -0.0005210500000000 ] - [ -0.0000735300000000, -0.0000507400000000, -0.0003985000000000 ] - [ 0.0000572700000000, 0.0000002500000000, 0.0001705000000000 ] - [ -0.0001010300000000, -0.0000891700000000, -0.0000020000000000 ] - [ 0.0002245500000000, 0.0004332900000000, 0.0004690900000000 ] - [ -0.0004281100000000, 0.0001782000000000, -0.0006127500000000 ] - [ 0.0004586300000000, 0.0000019000000000, -0.0006216100000000 ] - [ 0.0000788100000000, 0.0001419200000000, -0.0003807900000000 ] - [ 0.0000329800000000, -0.0000499800000000, 0.0001047000000000 ] - [ 0.0000810300000000, 0.0000690900000000, 0.0000378600000000 ] - [ 0.0000463300000000, -0.0005209100000000, 0.0003110400000000 ] - [ 0.0000401600000000, 0.0002372400000000, -0.0004951100000000 ] - [ -0.0001420000000000, -0.0003954700000000, -0.0000611600000000 ] - [ -0.0010341200000000, 0.0011087800000000, 0.0008344900000000 ] - [ 0.0000152400000000, 0.0000324600000000, 0.0000763000000000 ] - [ 0.0000231700000000, 0.0000392600000000, 0.0004334500000000 ] - [ 0.0001442200000000, -0.0002385700000000, 0.0002551000000000 ] - [ -0.0001328100000000, -0.0008241900000000, -0.0007006500000000 ] - [ -0.0001102000000000, -0.0001605400000000, -0.0000582900000000 ] - [ 0.0000005900000000, 0.0000041100000000, 0.0001772700000000 ] - [ 0.0000034300000000, -0.0000386500000000, -0.0000421600000000 ] - [ 0.0008538200000000, 0.0004160800000000, 0.0001570200000000 ] - [ -0.0001124200000000, -0.0002483100000000, -0.0004685300000000 ] - [ -0.0001581400000000, -0.0000282500000000, 0.0000849700000000 ] - [ -0.0002301300000000, -0.0001297000000000, -0.0001824200000000 ] - [ 0.0017388600000000, -0.0000355400000000, 0.0022100700000000 ] - [ -0.0000420500000000, -0.0001640100000000, -0.0001451700000000 ] - [ 0.0000848700000000, -0.0000089600000000, 0.0005782900000000 ] - [ 0.0000699200000000, 0.0000143200000000, -0.0006706400000000 ] - [ 0.0001871600000000, 0.0000767900000000, 0.0012739500000000 ] - [ -0.0031213500000000, -0.0013944800000000, -0.0012993400000000 ] - [ -0.0000662000000000, -0.0000820800000000, 0.0003369300000000 ] - [ -0.0000624200000000, 0.0000045500000000, -0.0002940300000000 ] - [ 0.0031190600000000, -0.0004821700000000, 0.0012313900000000 ] - [ 0.0001474200000000, 0.0000420800000000, 0.0005240500000000 ] - [ -0.0002007600000000, -0.0002976100000000, -0.0002172700000000 ] - [ -0.0001601000000000, 0.0001484700000000, 0.0005240000000000 ] - [ 0.0031991200000000, 0.0010890400000000, -0.0027820400000000 ] - [ -0.0001610600000000, 0.0002262000000000, 0.0005851400000000 ] - [ 0.0001641900000000, -0.0001365300000000, -0.0003200400000000 ] - [ 0.0000300100000000, 0.0001838300000000, 0.0002608400000000 ] - [ -0.0057400000000000, 0.0012379800000000, -0.0010883000000000 ] - [ -0.0000223000000000, 0.0001282700000000, 0.0005170700000000 ] - [ -0.0000688000000000, 0.0002368400000000, -0.0002313900000000 ] - [ -0.0000425800000000, -0.0000726900000000, 0.0003688700000000 ] - [ 0.0001674300000000, 0.0001937300000000, 0.0053237900000000 ] - [ 0.0000630800000000, -0.0000684300000000, -0.0000648600000000 ] - [ 0.0000517300000000, -0.0001215300000000, -0.0000223500000000 ] - [ -0.0001355000000000, -0.0001334400000000, 0.0001964900000000 ] - [ 0.0026691600000000, -0.0080868900000000, -0.0444282700000000 ] - [ -0.0000030000000000, 0.0000215700000000, 0.0003352300000000 ] - [ 0.0000920900000000, -0.0000952400000000, -0.0003199000000000 ] - [ 0.0000625100000000, 0.0000967000000000, 0.0003651700000000 ] - [ -0.0001743200000000, 0.0000136100000000, 0.0004223600000000 ] - [ -0.0003382700000000, -0.0000766800000000, -0.0015461000000000 ] - [ 0.0000583700000000, 0.0001233800000000, 0.0003334500000000 ] - [ 0.0000216900000000, -0.0000794000000000, -0.0003006400000000 ] - [ 0.0005943900000000, 0.0005374100000000, 0.0007339500000000 ] - [ -0.0004461900000000, -0.0001910500000000, 0.0005346800000000 ] - [ 0.0000402000000000, 0.0008077600000000, 0.0007073800000000 ] - [ 0.0002303900000000, -0.0002555000000000, 0.0000156100000000 ] - [ -0.0000053700000000, 0.0000239300000000, 0.0004430400000000 ] - [ -0.0000936100000000, 0.0000634900000000, -0.0001997900000000 ] - [ 0.0000203800000000, 0.0000429700000000, 0.0002779400000000 ] - [ -0.0001051200000000, -0.0003384200000000, -0.0006533100000000 ] - [ -0.0003703900000000, 0.0003181000000000, 0.0002137400000000 ] - [ -0.0000073400000000, -0.0001600300000000, 0.0057857300000000 ] - [ 0.0002479000000000, 0.0004327000000000, 0.0000533100000000 ] - [ 0.0000262700000000, -0.0000958900000000, 0.0000505500000000 ] - [ 0.0000124500000000, 0.0000388600000000, 0.0002175900000000 ] - [ 0.0001146600000000, 0.0000231200000000, -0.0021803000000000 ] - [ 0.0000627200000000, 0.0001374900000000, 0.0004980500000000 ] - [ 0.0001951100000000, -0.0001531600000000, -0.0018905400000000 ] - [ -0.0000808100000000, 0.0000929400000000, 0.0001986600000000 ] - [ 0.0000331700000000, -0.0006202500000000, 0.0006131400000000 ] - [ 0.0003008200000000, 0.0000191200000000, 0.0002199100000000 ] - [ -0.0006658200000000, -0.0005428600000000, 0.0007105600000000 ]- atom: 101 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0013191400000000, -0.0054724500000000, -0.0062185300000000 ] - [ -0.0001893400000000, 0.0000693800000000, 0.0002747900000000 ] - [ 0.0000033700000000, 0.0001675700000000, -0.0002285900000000 ] - [ 0.0001279000000000, -0.0000607000000000, 0.0002115600000000 ] - [ 0.0014368300000000, 0.0028172000000000, -0.0037663900000000 ] - [ -0.0000977900000000, -0.0000244300000000, 0.0003126000000000 ] - [ 0.0000183900000000, -0.0002665100000000, -0.0001016400000000 ] - [ -0.0000517000000000, 0.0000516000000000, 0.0001813000000000 ] - [ -0.0006819200000000, 0.0001286600000000, -0.0004285700000000 ] - [ 0.0001916000000000, 0.0000132600000000, 0.0005263400000000 ] - [ 0.0000488300000000, 0.0000592100000000, -0.0002930100000000 ] - [ -0.0000711900000000, -0.0001209300000000, 0.0002116600000000 ] - [ -0.0002742300000000, 0.0001582200000000, 0.0005172200000000 ] - [ 0.0001968900000000, -0.0000646000000000, -0.0000792300000000 ] - [ 0.0001716700000000, 0.0001182800000000, 0.0001866500000000 ] - [ -0.0000149500000000, -0.0001498900000000, -0.0000576400000000 ] - [ 0.0000136100000000, -0.0001480900000000, 0.0005554600000000 ] - [ 0.0003876300000000, 0.0000754000000000, -0.0004027900000000 ] - [ 0.0000691800000000, -0.0000716400000000, 0.0002230300000000 ] - [ -0.0000263800000000, -0.0000719400000000, -0.0001493500000000 ] - [ 0.0002842200000000, 0.0002973600000000, -0.0007330300000000 ] - [ -0.0000511000000000, 0.0001936000000000, 0.0006658900000000 ] - [ -0.0001274800000000, 0.0001187000000000, -0.0001787200000000 ] - [ -0.0001811300000000, 0.0000272300000000, 0.0001148300000000 ] - [ 0.0034843000000000, -0.0063557500000000, -0.0087157600000000 ] - [ 0.0001348400000000, -0.0001382400000000, 0.0003097000000000 ] - [ 0.0000640400000000, 0.0002298100000000, -0.0002341700000000 ] - [ -0.0000066100000000, -0.0001676900000000, 0.0003126800000000 ] - [ 0.0008889000000000, 0.0001143000000000, -0.0022302600000000 ] - [ -0.0000418600000000, -0.0001153900000000, 0.0004077400000000 ] - [ 0.0000580900000000, 0.0004215100000000, -0.0002946300000000 ] - [ 0.0000276800000000, -0.0002719600000000, 0.0002411300000000 ] - [ -0.0049579000000000, -0.0017263700000000, -0.0048786400000000 ] - [ -0.0001791200000000, -0.0001413600000000, 0.0000509500000000 ] - [ 0.0000240200000000, -0.0000334900000000, -0.0001290300000000 ] - [ 0.0000272400000000, -0.0001142600000000, 0.0004547800000000 ] - [ -0.0009269500000000, 0.0025331900000000, -0.0054393100000000 ] - [ 0.0002032400000000, -0.0000368200000000, 0.0004340600000000 ] - [ -0.0000883300000000, -0.0002132900000000, -0.0000970800000000 ] - [ -0.0000754400000000, 0.0000969100000000, 0.0000798800000000 ] - [ -0.0001317900000000, -0.0000377200000000, 0.0003747000000000 ] - [ -0.0005012800000000, 0.0003274200000000, -0.0017513800000000 ] - [ 0.0001219000000000, 0.0000006100000000, 0.0002641400000000 ] - [ 0.0002230200000000, 0.0000304100000000, -0.0004004600000000 ] - [ -0.0002803000000000, -0.0004165700000000, 0.0001683000000000 ] - [ 0.0004193000000000, -0.0000450400000000, 0.0007987200000000 ] - [ -0.0000044400000000, -0.0001719900000000, 0.0002963500000000 ] - [ 0.0000088900000000, -0.0001130000000000, -0.0000875500000000 ] - [ 0.0027953500000000, 0.0011994000000000, -0.0045757800000000 ] - [ -0.0001292800000000, -0.0003903000000000, 0.0000521100000000 ] - [ 0.0000974800000000, -0.0000214300000000, 0.0001035900000000 ] - [ 0.0000984000000000, 0.0000918900000000, 0.0002088900000000 ] - [ 0.0002312900000000, -0.0000644200000000, 0.0003719500000000 ] - [ 0.0000982400000000, 0.0001155400000000, -0.0001438000000000 ] - [ -0.0000554800000000, -0.0000263400000000, 0.0000299600000000 ] - [ -0.0003912700000000, -0.0003189900000000, -0.0004949600000000 ] - [ 0.0003124700000000, -0.0003915900000000, 0.0009493000000000 ] - [ -0.0005689300000000, 0.0002150400000000, 0.0002782100000000 ] - [ 0.0000342700000000, -0.0003597100000000, 0.0000416900000000 ] - [ 0.0000809400000000, 0.0002665800000000, 0.0002358100000000 ] - [ 0.0001222100000000, 0.0000507600000000, 0.0001852100000000 ] - [ 0.0001570400000000, 0.0004043500000000, -0.0005303200000000 ] - [ -0.0002408200000000, -0.0001155100000000, 0.0002709400000000 ] - [ -0.0000610600000000, 0.0002746200000000, 0.0002826700000000 ] - [ 0.0010819300000000, -0.0012748900000000, -0.0012616000000000 ] - [ 0.0000458700000000, 0.0001201000000000, 0.0003296700000000 ] - [ -0.0000846300000000, -0.0001914700000000, -0.0000272300000000 ] - [ -0.0002084000000000, 0.0003922600000000, -0.0006628300000000 ] - [ 0.0000811200000000, 0.0007911700000000, 0.0004754100000000 ] - [ 0.0000433200000000, 0.0001972400000000, 0.0002835800000000 ] - [ 0.0000662600000000, -0.0000423300000000, 0.0000485600000000 ] - [ 0.0000641600000000, 0.0000769400000000, -0.0001837100000000 ] - [ -0.0005301900000000, -0.0003294400000000, -0.0002017600000000 ] - [ 0.0004329800000000, 0.0001631700000000, 0.0005159800000000 ] - [ -0.0001646400000000, 0.0001121100000000, -0.0000353300000000 ] - [ -0.0000929300000000, 0.0000465000000000, 0.0001328800000000 ] - [ -0.0018000600000000, 0.0001619000000000, -0.0027437400000000 ] - [ -0.0000135400000000, 0.0000294500000000, 0.0006855900000000 ] - [ -0.0000294200000000, 0.0001433800000000, -0.0000385200000000 ] - [ -0.0000146000000000, -0.0001486200000000, 0.0001306800000000 ] - [ -0.0000499900000000, 0.0001024900000000, -0.0008542200000000 ] - [ 0.0032666400000000, 0.0012272800000000, 0.0008857200000000 ] - [ -0.0000705700000000, 0.0002587100000000, -0.0007577200000000 ] - [ -0.0000741500000000, -0.0001796500000000, 0.0007160100000000 ] - [ -0.0027952400000000, 0.0003274800000000, -0.0009230200000000 ] - [ 0.0001807800000000, 0.0001157900000000, -0.0008401200000000 ] - [ -0.0001264200000000, 0.0001381500000000, -0.0000990000000000 ] - [ -0.0001663300000000, 0.0000117400000000, -0.0002091300000000 ] - [ -0.0031440800000000, -0.0013378000000000, 0.0026114500000000 ] - [ 0.0002142200000000, 0.0000370600000000, -0.0004283800000000 ] - [ -0.0002190900000000, -0.0001253700000000, 0.0004767000000000 ] - [ -0.0000839800000000, 0.0000785100000000, -0.0004182900000000 ] - [ 0.0056991200000000, -0.0011955400000000, 0.0010517700000000 ] - [ 0.0000063900000000, -0.0001612200000000, -0.0004958500000000 ] - [ 0.0000855700000000, -0.0002061900000000, 0.0002524800000000 ] - [ 0.0000593500000000, 0.0000406500000000, -0.0003901200000000 ] - [ -0.0001491700000000, -0.0002860800000000, -0.0052602200000000 ] - [ -0.0000438300000000, 0.0001555200000000, -0.0000747800000000 ] - [ -0.0000714500000000, 0.0000347700000000, -0.0001181400000000 ] - [ 0.0001168700000000, 0.0002209800000000, -0.0000564500000000 ] - [ -0.0027523100000000, 0.0081362600000000, 0.0445376300000000 ] - [ -0.0001202200000000, 0.0000842800000000, -0.0003713400000000 ] - [ 0.0000314400000000, -0.0000107700000000, 0.0002848500000000 ] - [ 0.0000605300000000, 0.0000091900000000, -0.0003295800000000 ] - [ -0.0000381500000000, 0.0001071500000000, -0.0002777500000000 ] - [ 0.0001311900000000, -0.0000368300000000, 0.0014010700000000 ] - [ 0.0001552900000000, -0.0000046500000000, -0.0004785400000000 ] - [ 0.0001916600000000, -0.0000399200000000, 0.0004453900000000 ] - [ -0.0006786100000000, -0.0005837800000000, -0.0007305100000000 ] - [ 0.0003648100000000, 0.0002392100000000, -0.0005395000000000 ] - [ 0.0000463100000000, -0.0008574900000000, -0.0007130300000000 ] - [ -0.0001465500000000, 0.0003053100000000, -0.0000119100000000 ] - [ -0.0000331300000000, -0.0000039100000000, -0.0005726400000000 ] - [ 0.0000539900000000, -0.0000875500000000, 0.0003285900000000 ] - [ 0.0000174900000000, -0.0000223000000000, -0.0001489600000000 ] - [ 0.0001429200000000, 0.0003179400000000, 0.0005253000000000 ] - [ 0.0002603200000000, -0.0000732600000000, -0.0001788600000000 ] - [ -0.0001039700000000, -0.0000846400000000, -0.0057404000000000 ] - [ -0.0001375600000000, -0.0001861900000000, -0.0000886100000000 ] - [ 0.0000835800000000, -0.0001484200000000, -0.0000158800000000 ] - [ -0.0001078000000000, 0.0001380700000000, -0.0002745700000000 ] - [ -0.0002168700000000, -0.0001899500000000, 0.0022372300000000 ] - [ 0.0000327800000000, 0.0000375100000000, -0.0004416600000000 ] - [ -0.0000991300000000, -0.0000309700000000, 0.0018361300000000 ] - [ 0.0001175800000000, -0.0000684300000000, -0.0000180300000000 ] - [ 0.0000046300000000, 0.0005964100000000, -0.0007933600000000 ] - [ -0.0003379100000000, 0.0000023100000000, -0.0004013700000000 ] - [ 0.0006298200000000, 0.0005210200000000, -0.0005301400000000 ]- atom: 105 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001092500000000, 0.0000488900000000, -0.0001883300000000 ] - [ -0.0005081300000000, 0.0002947400000000, 0.0000838700000000 ] - [ 0.0001786900000000, -0.0000147700000000, 0.0000153600000000 ] - [ 0.0000709900000000, 0.0003754000000000, 0.0001992400000000 ] - [ 0.0000648800000000, -0.0000824800000000, 0.0003257800000000 ] - [ -0.0002507800000000, 0.0001789900000000, -0.0001267500000000 ] - [ 0.0000992100000000, -0.0000563200000000, 0.0000687600000000 ] - [ -0.0000718400000000, 0.0003199000000000, -0.0001394100000000 ] - [ -0.0000309500000000, 0.0000609400000000, -0.0000167100000000 ] - [ 0.0004967000000000, 0.0003175800000000, 0.0001784800000000 ] - [ -0.0001347000000000, -0.0001702700000000, 0.0000770000000000 ] - [ 0.0014471600000000, 0.0003409100000000, 0.0006670200000000 ] - [ 0.0001855500000000, 0.0001625300000000, -0.0002181000000000 ] - [ -0.0003955300000000, -0.0000851400000000, 0.0001400000000000 ] - [ 0.0014145900000000, 0.0007230800000000, -0.0006525600000000 ] - [ 0.0000621200000000, -0.0002528500000000, 0.0001656800000000 ] - [ 0.0025946600000000, 0.0017823900000000, -0.0017815200000000 ] - [ -0.0000130400000000, -0.0000058800000000, 0.0000665500000000 ] - [ 0.0001805100000000, -0.0000487900000000, 0.0000314600000000 ] - [ -0.0000898600000000, 0.0000971100000000, -0.0000424400000000 ] - [ 0.0000853800000000, 0.0000723200000000, -0.0000043500000000 ] - [ 0.0034299700000000, 0.0023526300000000, 0.0032763500000000 ] - [ -0.0001029500000000, 0.0000970000000000, 0.0001538700000000 ] - [ -0.0000041600000000, -0.0001052200000000, -0.0001707300000000 ] - [ 0.0001588600000000, 0.0000596500000000, 0.0000718300000000 ] - [ -0.0011645200000000, -0.0003302700000000, 0.0005458700000000 ] - [ 0.0000695200000000, 0.0001006200000000, -0.0000871800000000 ] - [ -0.0001680700000000, -0.0001709000000000, -0.0000388500000000 ] - [ -0.0000434600000000, 0.0002785800000000, 0.0000977700000000 ] - [ -0.0011866600000000, -0.0013433700000000, -0.0001701500000000 ] - [ 0.0000322300000000, 0.0002168100000000, 0.0000557000000000 ] - [ 0.0000445200000000, -0.0003037400000000, 0.0000903800000000 ] - [ -0.0001772900000000, -0.0000951200000000, 0.0001612800000000 ] - [ 0.0064216600000000, -0.0026200600000000, 0.0052810800000000 ] - [ -0.0000292000000000, -0.0002209300000000, 0.0001820800000000 ] - [ 0.0001491300000000, -0.0000774100000000, 0.0001283300000000 ] - [ 0.0002824300000000, 0.0000929100000000, -0.0001431300000000 ] - [ -0.0012999600000000, -0.0002286100000000, -0.0007551100000000 ] - [ -0.0001322600000000, 0.0001347000000000, 0.0002895700000000 ] - [ -0.0002555300000000, -0.0001519000000000, -0.0002418700000000 ] - [ 0.0117864400000000, -0.0059039100000000, -0.0009241500000000 ] - [ -0.0001063300000000, 0.0000201100000000, 0.0000530300000000 ] - [ 0.0001122300000000, -0.0000887600000000, -0.0000193200000000 ] - [ 0.0001451100000000, 0.0001073600000000, 0.0000402600000000 ] - [ 0.0000088600000000, 0.0000330600000000, -0.0002309500000000 ] - [ -0.0002828600000000, -0.0001047500000000, 0.0004565700000000 ] - [ 0.0000955200000000, -0.0001362100000000, 0.0003444100000000 ] - [ 0.0002134300000000, -0.0005413300000000, 0.0002789900000000 ] - [ -0.0002509700000000, 0.0000711000000000, -0.0001595300000000 ] - [ 0.0039932600000000, -0.0027964000000000, -0.0044839500000000 ] - [ 0.0000328700000000, -0.0000235100000000, -0.0002441400000000 ] - [ 0.0000513400000000, 0.0000110100000000, -0.0002786500000000 ] - [ -0.0000165000000000, -0.0003140000000000, 0.0000970900000000 ] - [ 0.0001714400000000, 0.0000937300000000, -0.0000518300000000 ] - [ -0.0015383200000000, 0.0006359600000000, -0.0000522300000000 ] - [ -0.0000563100000000, 0.0000566100000000, -0.0000708600000000 ] - [ -0.0003634300000000, -0.0001641900000000, 0.0009454000000000 ] - [ -0.0000776000000000, 0.0001170500000000, -0.0001795500000000 ] - [ 0.0000838500000000, -0.0002115500000000, -0.0002158200000000 ] - [ 0.0002251200000000, 0.0003585200000000, -0.0000363600000000 ] - [ -0.0002751300000000, -0.0004140900000000, 0.0001535800000000 ] - [ 0.0001385900000000, -0.0001259100000000, -0.0000889500000000 ] - [ -0.0002771900000000, 0.0000065800000000, -0.0000904500000000 ] - [ -0.0000114300000000, 0.0000003300000000, 0.0002850600000000 ] - [ -0.0000046400000000, -0.0000570300000000, -0.0002505200000000 ] - [ 0.0003930500000000, 0.0019108500000000, 0.0007758800000000 ] - [ 0.0001176500000000, 0.0003183300000000, -0.0006950800000000 ] - [ -0.0001072600000000, 0.0000194600000000, -0.0003148500000000 ] - [ -0.0000267600000000, -0.0001080900000000, -0.0001029200000000 ] - [ 0.0069352700000000, 0.0021939900000000, -0.0005297500000000 ] - [ -0.0000342800000000, -0.0001323200000000, 0.0001893100000000 ] - [ -0.0000198400000000, -0.0001088700000000, -0.0000133000000000 ] - [ 0.0000221200000000, 0.0000016500000000, -0.0001357700000000 ] - [ 0.0008193000000000, 0.0007766600000000, 0.0006810100000000 ] - [ -0.0001437800000000, -0.0000066800000000, 0.0000463100000000 ] - [ -0.0000548100000000, -0.0002581300000000, 0.0000721200000000 ] - [ -0.0000830100000000, 0.0000528700000000, -0.0002469200000000 ] - [ 0.0020339500000000, -0.0030903400000000, 0.0008334500000000 ] - [ 0.0000291300000000, -0.0000823000000000, 0.0003919300000000 ] - [ 0.0001468300000000, 0.0000341900000000, -0.0004030900000000 ] - [ 0.0033020100000000, 0.0027074300000000, -0.0041174100000000 ] - [ 0.0001760900000000, -0.0001345500000000, -0.0002533700000000 ] - [ -0.0001344500000000, 0.0003392600000000, -0.0000349900000000 ] - [ -0.0001662200000000, -0.0003439500000000, 0.0003067600000000 ] - [ 0.0005050300000000, 0.0002652300000000, -0.0004166600000000 ] - [ 0.0003173500000000, -0.0003381700000000, 0.0004518600000000 ] - [ -0.0004671800000000, 0.0001956600000000, -0.0005030700000000 ] - [ -0.0003488400000000, -0.0006667900000000, 0.0007690100000000 ] - [ 0.0000236600000000, -0.0002373700000000, -0.0002153400000000 ] - [ 0.0050873900000000, 0.0027341000000000, 0.0029982500000000 ] - [ -0.0000237200000000, -0.0002149600000000, -0.0000075000000000 ] - [ -0.0000462200000000, 0.0002895800000000, 0.0000696000000000 ] - [ 0.0001117000000000, -0.0001042000000000, 0.0000468100000000 ] - [ 0.0004386700000000, -0.0012007800000000, -0.0008516500000000 ] - [ -0.0001329100000000, 0.0001523300000000, -0.0001100200000000 ] - [ -0.0000643500000000, -0.0006345500000000, -0.0006115200000000 ] - [ -0.0000540000000000, 0.0006678900000000, -0.0005131000000000 ] - [ 0.0006110300000000, -0.0000891800000000, 0.0000802000000000 ] - [ -0.0004571300000000, -0.0000615600000000, -0.0000870400000000 ] - [ 0.0001884600000000, 0.0000546000000000, 0.0001464400000000 ] - [ -0.0001149700000000, 0.0000917100000000, -0.0000462400000000 ] - [ 0.0029716100000000, -0.0009274000000000, 0.0002128800000000 ] - [ -0.0001490100000000, -0.0000826100000000, -0.0000703200000000 ] - [ 0.0002082300000000, -0.0000047200000000, 0.0001070200000000 ] - [ -0.0459082400000000, 0.0003212900000000, -0.0014659900000000 ] - [ -0.0000533300000000, 0.0000294900000000, -0.0001274000000000 ] - [ -0.0000367900000000, 0.0000068400000000, 0.0000093500000000 ] - [ 0.0003091700000000, -0.0001986800000000, -0.0000081500000000 ] - [ -0.0017959900000000, -0.0001127800000000, 0.0006405200000000 ] - [ 0.0001754500000000, 0.0000762400000000, -0.0000161100000000 ] - [ 0.0000159000000000, 0.0000170500000000, 0.0000148300000000 ] - [ 0.0006903000000000, -0.0003097600000000, -0.0001195900000000 ] - [ -0.0007535600000000, 0.0025678400000000, -0.0000433200000000 ] - [ 0.0001541000000000, -0.0000401300000000, -0.0000372100000000 ] - [ -0.0006033200000000, 0.0016292600000000, 0.0002282500000000 ] - [ 0.0001521700000000, -0.0000427000000000, -0.0001009000000000 ] - [ 0.0007071800000000, 0.0001317200000000, -0.0001097200000000 ] - [ -0.0005320900000000, 0.0006864600000000, 0.0007148900000000 ] - [ 0.0001612700000000, 0.0000675100000000, -0.0001034300000000 ] - [ -0.0003684500000000, -0.0001048600000000, -0.0000518700000000 ] - [ 0.0018454900000000, -0.0007041300000000, 0.0004317900000000 ] - [ -0.0000862600000000, -0.0000499000000000, -0.0000140100000000 ] - [ 0.0004455400000000, 0.0004336000000000, 0.0001236700000000 ] - [ -0.0001903800000000, -0.0001375100000000, -0.0001245500000000 ] - [ 0.0004712500000000, -0.0003859400000000, 0.0001626800000000 ] - [ -0.0001044500000000, -0.0000343000000000, -0.0001352200000000 ] - [ 0.0001385200000000, 0.0001491900000000, -0.0001259600000000 ] - [ -0.0017412300000000, -0.0003474400000000, -0.0004946800000000 ]- atom: 105 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001322000000000, -0.0000453900000000, 0.0002398100000000 ] - [ 0.0002683100000000, -0.0002961800000000, -0.0001373800000000 ] - [ 0.0000635000000000, 0.0000184600000000, -0.0000667000000000 ] - [ 0.0001682700000000, -0.0003825900000000, -0.0001487800000000 ] - [ -0.0001177600000000, 0.0000147700000000, -0.0003540000000000 ] - [ 0.0001992900000000, -0.0001081600000000, 0.0001540400000000 ] - [ -0.0000457300000000, -0.0000122300000000, -0.0000401800000000 ] - [ 0.0001223300000000, -0.0002522300000000, 0.0001123500000000 ] - [ 0.0001434100000000, -0.0000862600000000, -0.0000194200000000 ] - [ -0.0003845900000000, -0.0002911100000000, -0.0001440100000000 ] - [ 0.0000215700000000, 0.0001440800000000, -0.0000405300000000 ] - [ -0.0015695800000000, -0.0003071100000000, -0.0007095300000000 ] - [ -0.0004828200000000, -0.0000132200000000, 0.0002831900000000 ] - [ 0.0000997800000000, -0.0000628400000000, -0.0002062100000000 ] - [ -0.0011217800000000, -0.0005808200000000, 0.0005925100000000 ] - [ 0.0002335600000000, 0.0001021900000000, -0.0000985100000000 ] - [ -0.0026076200000000, -0.0018515100000000, 0.0018048100000000 ] - [ 0.0000241600000000, 0.0000223400000000, -0.0000232400000000 ] - [ -0.0001903100000000, 0.0000323200000000, 0.0000118600000000 ] - [ 0.0000768800000000, -0.0000806100000000, -0.0000012900000000 ] - [ 0.0000862100000000, 0.0000186200000000, -0.0001602800000000 ] - [ -0.0033097400000000, -0.0025178000000000, -0.0032074600000000 ] - [ -0.0000693200000000, -0.0000070600000000, 0.0000111200000000 ] - [ -0.0001666500000000, 0.0000153800000000, 0.0000050600000000 ] - [ -0.0001085600000000, 0.0000526100000000, -0.0000171800000000 ] - [ 0.0012126400000000, 0.0002201000000000, -0.0006036300000000 ] - [ -0.0001190000000000, 0.0000107100000000, 0.0000319600000000 ] - [ 0.0001179500000000, 0.0000587900000000, 0.0000929200000000 ] - [ -0.0000026700000000, 0.0001329600000000, -0.0000914400000000 ] - [ 0.0011438200000000, 0.0009407600000000, 0.0001666000000000 ] - [ 0.0000133900000000, 0.0001944300000000, -0.0000618900000000 ] - [ 0.0000022700000000, -0.0001081700000000, -0.0000843000000000 ] - [ 0.0000180100000000, 0.0000782500000000, 0.0000140100000000 ] - [ -0.0064192500000000, 0.0025936800000000, -0.0052552700000000 ] - [ 0.0001871600000000, 0.0002042800000000, -0.0003583600000000 ] - [ 0.0000094000000000, 0.0000940600000000, 0.0000483700000000 ] - [ -0.0000015100000000, 0.0000225200000000, -0.0001886800000000 ] - [ 0.0015854200000000, 0.0001174500000000, 0.0010953100000000 ] - [ -0.0001489200000000, -0.0000204900000000, 0.0000436400000000 ] - [ -0.0000249500000000, 0.0000363200000000, -0.0000910900000000 ] - [ -0.0126172200000000, 0.0060118900000000, 0.0009764800000000 ] - [ -0.0001694800000000, 0.0000715700000000, -0.0000521700000000 ] - [ 0.0001639300000000, -0.0000025900000000, 0.0000191700000000 ] - [ 0.0001301900000000, -0.0000156500000000, -0.0000408300000000 ] - [ -0.0000228700000000, -0.0001101300000000, -0.0001707500000000 ] - [ 0.0002619100000000, 0.0001820200000000, -0.0000520600000000 ] - [ -0.0000849100000000, 0.0000616100000000, 0.0000505900000000 ] - [ -0.0001981700000000, 0.0006126800000000, -0.0006735000000000 ] - [ 0.0001232700000000, -0.0000179500000000, -0.0001521500000000 ] - [ -0.0039882100000000, 0.0026862900000000, 0.0046317900000000 ] - [ 0.0000944900000000, 0.0000762100000000, 0.0005534800000000 ] - [ 0.0000770900000000, -0.0000658600000000, -0.0000289400000000 ] - [ 0.0001711800000000, 0.0001997500000000, -0.0001272800000000 ] - [ -0.0000153400000000, 0.0000224200000000, 0.0000791100000000 ] - [ 0.0013861900000000, -0.0007515700000000, 0.0000796400000000 ] - [ -0.0001003300000000, 0.0000574700000000, 0.0000451100000000 ] - [ 0.0002509900000000, -0.0000487600000000, -0.0006106800000000 ] - [ -0.0000350400000000, 0.0000998300000000, -0.0001612600000000 ] - [ 0.0000296800000000, -0.0000056100000000, -0.0001251600000000 ] - [ -0.0001143300000000, -0.0001436300000000, 0.0003753300000000 ] - [ 0.0004766200000000, 0.0005324000000000, 0.0000671700000000 ] - [ 0.0000638400000000, 0.0000073400000000, -0.0001343400000000 ] - [ 0.0000746200000000, 0.0001129800000000, -0.0001341900000000 ] - [ -0.0001914900000000, -0.0001199200000000, -0.0000613100000000 ] - [ 0.0000654400000000, -0.0000964400000000, -0.0001539600000000 ] - [ -0.0003139400000000, -0.0017597600000000, -0.0003624100000000 ] - [ -0.0001771300000000, -0.0004729300000000, 0.0010986900000000 ] - [ 0.0000451000000000, 0.0001339600000000, -0.0000905800000000 ] - [ -0.0000403900000000, 0.0000708000000000, -0.0001233600000000 ] - [ -0.0067906200000000, -0.0020524300000000, 0.0006933200000000 ] - [ 0.0001011000000000, 0.0000935300000000, 0.0000365800000000 ] - [ 0.0000861800000000, 0.0001486500000000, -0.0002147800000000 ] - [ 0.0003000100000000, 0.0000817000000000, 0.0000849000000000 ] - [ -0.0004948000000000, -0.0008509700000000, -0.0006260900000000 ] - [ -0.0001783500000000, 0.0000894200000000, 0.0000026600000000 ] - [ -0.0002720200000000, 0.0001830900000000, -0.0001209200000000 ] - [ 0.0000277100000000, 0.0000813700000000, -0.0002936900000000 ] - [ -0.0020768700000000, 0.0028983100000000, -0.0002961400000000 ] - [ 0.0000260800000000, 0.0002159100000000, 0.0001482500000000 ] - [ -0.0000931500000000, -0.0001655700000000, -0.0001390300000000 ] - [ -0.0031694200000000, -0.0025689200000000, 0.0045805200000000 ] - [ -0.0000390900000000, -0.0000425700000000, -0.0001651500000000 ] - [ -0.0000040200000000, -0.0001615100000000, -0.0003811600000000 ] - [ 0.0000303700000000, 0.0001700700000000, 0.0001137600000000 ] - [ -0.0001793400000000, -0.0004301200000000, 0.0007328700000000 ] - [ 0.0000084400000000, 0.0004990700000000, -0.0007718700000000 ] - [ 0.0001357900000000, -0.0003533100000000, 0.0001822000000000 ] - [ 0.0000413500000000, 0.0008257300000000, -0.0004500000000000 ] - [ 0.0000312600000000, -0.0000257600000000, 0.0000575000000000 ] - [ -0.0050728900000000, -0.0025062100000000, -0.0028843700000000 ] - [ -0.0000304500000000, -0.0000471800000000, 0.0001636700000000 ] - [ -0.0000093800000000, -0.0000262200000000, -0.0002251500000000 ] - [ -0.0001280700000000, 0.0001366600000000, -0.0000666800000000 ] - [ -0.0004544800000000, 0.0011610300000000, 0.0008857900000000 ] - [ 0.0001480300000000, -0.0001185100000000, 0.0001306900000000 ] - [ 0.0001029500000000, 0.0005951600000000, 0.0005979300000000 ] - [ 0.0000710900000000, -0.0007537100000000, 0.0006530400000000 ] - [ -0.0005908300000000, 0.0001752800000000, -0.0002187400000000 ] - [ 0.0004298300000000, -0.0000268000000000, -0.0000520400000000 ] - [ -0.0002058500000000, 0.0000321300000000, -0.0000060600000000 ] - [ -0.0000088600000000, -0.0001974900000000, 0.0000819400000000 ] - [ -0.0030649100000000, 0.0010162900000000, -0.0002488800000000 ] - [ 0.0002714200000000, -0.0000235500000000, 0.0000346100000000 ] - [ -0.0000835600000000, 0.0001101100000000, -0.0000708800000000 ] - [ 0.0458265900000000, -0.0001501800000000, 0.0016014900000000 ] - [ -0.0001597800000000, -0.0001489300000000, -0.0000180000000000 ] - [ 0.0002495500000000, 0.0001119800000000, -0.0001537600000000 ] - [ -0.0000951100000000, 0.0000786300000000, 0.0001526300000000 ] - [ 0.0017100100000000, 0.0000698700000000, -0.0006253800000000 ] - [ -0.0002578700000000, -0.0000265800000000, 0.0000114300000000 ] - [ 0.0000662200000000, -0.0000673600000000, -0.0000195900000000 ] - [ -0.0006073500000000, 0.0003610800000000, 0.0001255200000000 ] - [ 0.0007191900000000, -0.0025525600000000, -0.0000849700000000 ] - [ -0.0001917100000000, 0.0000198900000000, 0.0001666400000000 ] - [ 0.0006267400000000, -0.0016080100000000, -0.0000981100000000 ] - [ -0.0001136700000000, 0.0000232300000000, -0.0000289300000000 ] - [ -0.0008154100000000, 0.0001125300000000, 0.0001419600000000 ] - [ 0.0004169600000000, -0.0009311200000000, -0.0007507700000000 ] - [ -0.0000495600000000, 0.0001770300000000, 0.0000681100000000 ] - [ 0.0004708700000000, -0.0001396800000000, 0.0000830900000000 ] - [ -0.0019420200000000, 0.0008787100000000, -0.0004864400000000 ] - [ -0.0000094600000000, -0.0001258200000000, 0.0000702900000000 ] - [ -0.0003505500000000, -0.0002605100000000, -0.0000666100000000 ] - [ 0.0002855400000000, -0.0000379100000000, 0.0000677000000000 ] - [ -0.0004319600000000, 0.0004111000000000, 0.0000142200000000 ] - [ 0.0001399200000000, 0.0000105500000000, -0.0000454200000000 ] - [ -0.0001745000000000, -0.0001253600000000, -0.0000540700000000 ] - [ 0.0017026600000000, 0.0003269900000000, 0.0006605100000000 ]- atom: 105 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000996100000000, 0.0001365100000000, -0.0001386200000000 ] - [ 0.0007241600000000, -0.0002929300000000, -0.0007213800000000 ] - [ 0.0000965400000000, -0.0001372600000000, -0.0000934700000000 ] - [ 0.0007192600000000, -0.0002319300000000, -0.0000982100000000 ] - [ 0.0000307500000000, 0.0000959700000000, 0.0002090600000000 ] - [ 0.0004251200000000, -0.0001485500000000, 0.0004933500000000 ] - [ 0.0000299000000000, -0.0002345000000000, 0.0001156800000000 ] - [ 0.0003960700000000, -0.0001323200000000, 0.0001481600000000 ] - [ 0.0001222900000000, 0.0001915300000000, 0.0000190400000000 ] - [ -0.0000800600000000, -0.0008475900000000, -0.0006033800000000 ] - [ -0.0000278700000000, -0.0000857100000000, 0.0000193600000000 ] - [ 0.0005460900000000, 0.0041984700000000, 0.0038123100000000 ] - [ -0.0001788800000000, -0.0004894000000000, 0.0004651300000000 ] - [ -0.0001292200000000, 0.0000454500000000, -0.0000234400000000 ] - [ 0.0013013300000000, 0.0059974500000000, -0.0044023900000000 ] - [ 0.0001525200000000, -0.0002148600000000, 0.0000563900000000 ] - [ 0.0016393800000000, 0.0053606500000000, -0.0041894400000000 ] - [ -0.0000055100000000, -0.0000049100000000, 0.0001041200000000 ] - [ -0.0001813900000000, -0.0005262800000000, 0.0001120400000000 ] - [ 0.0000942300000000, -0.0000226000000000, 0.0001142400000000 ] - [ 0.0000998400000000, 0.0000057100000000, -0.0001405000000000 ] - [ 0.0027316500000000, 0.0054067700000000, 0.0050646000000000 ] - [ -0.0000365300000000, 0.0000961100000000, 0.0000865500000000 ] - [ -0.0001948000000000, -0.0004209800000000, -0.0001562200000000 ] - [ 0.0000323400000000, -0.0000528200000000, 0.0001378300000000 ] - [ 0.0006204100000000, 0.0003594000000000, -0.0003227400000000 ] - [ -0.0001087300000000, 0.0002031400000000, 0.0003207300000000 ] - [ 0.0000216400000000, -0.0002936400000000, -0.0000017500000000 ] - [ -0.0000421600000000, 0.0002278700000000, 0.0000587800000000 ] - [ -0.0004949000000000, 0.0001778300000000, 0.0000129600000000 ] - [ 0.0000267800000000, 0.0001708600000000, 0.0001284200000000 ] - [ -0.0001375300000000, -0.0004505000000000, -0.0000138300000000 ] - [ -0.0000361300000000, -0.0001918000000000, 0.0002055200000000 ] - [ -0.0028809500000000, 0.0013153400000000, -0.0023282500000000 ] - [ 0.0000888500000000, 0.0002469600000000, -0.0001543600000000 ] - [ -0.0000775300000000, 0.0000399600000000, -0.0002073400000000 ] - [ 0.0001694600000000, -0.0000347900000000, -0.0002241400000000 ] - [ -0.0001301700000000, 0.0006021300000000, 0.0004063100000000 ] - [ -0.0001201000000000, 0.0001664500000000, -0.0000465100000000 ] - [ -0.0001735500000000, -0.0002875700000000, -0.0002164300000000 ] - [ -0.0046768300000000, 0.0035049400000000, 0.0002670000000000 ] - [ -0.0001347200000000, -0.0000130300000000, 0.0000449300000000 ] - [ 0.0000788800000000, -0.0003336500000000, -0.0000568900000000 ] - [ 0.0001804800000000, 0.0000794000000000, 0.0001171900000000 ] - [ 0.0000469400000000, -0.0000946700000000, 0.0000652700000000 ] - [ -0.0006128700000000, -0.0000661700000000, 0.0007584400000000 ] - [ 0.0002924700000000, -0.0007098900000000, 0.0010898100000000 ] - [ -0.0000558700000000, -0.0002095000000000, -0.0000431400000000 ] - [ -0.0002017300000000, 0.0001341300000000, -0.0000059100000000 ] - [ -0.0021892100000000, -0.0002477800000000, 0.0003752400000000 ] - [ -0.0000484000000000, 0.0000213000000000, 0.0004487900000000 ] - [ -0.0002919200000000, 0.0002582300000000, -0.0007795000000000 ] - [ -0.0000322900000000, -0.0002923500000000, 0.0000270600000000 ] - [ 0.0000570200000000, 0.0000378900000000, 0.0000085800000000 ] - [ -0.0006676500000000, 0.0007795800000000, 0.0002008700000000 ] - [ -0.0001139100000000, 0.0002058500000000, -0.0001488400000000 ] - [ -0.0003352500000000, 0.0007365900000000, 0.0005751200000000 ] - [ -0.0000392100000000, -0.0000692000000000, 0.0000304300000000 ] - [ 0.0000179200000000, -0.0003448200000000, -0.0000952600000000 ] - [ 0.0006364100000000, 0.0003068800000000, 0.0009071300000000 ] - [ -0.0000228700000000, 0.0004186600000000, -0.0002555600000000 ] - [ 0.0001243200000000, -0.0002338100000000, -0.0002017600000000 ] - [ -0.0001765100000000, -0.0001765000000000, -0.0003031000000000 ] - [ -0.0001524000000000, 0.0001192800000000, 0.0000182400000000 ] - [ -0.0000309600000000, 0.0000185000000000, -0.0002031000000000 ] - [ 0.0004538800000000, -0.0002850300000000, 0.0008459900000000 ] - [ -0.0001589500000000, -0.0003570900000000, 0.0005900800000000 ] - [ -0.0001298200000000, -0.0000304700000000, -0.0000387100000000 ] - [ 0.0000148600000000, -0.0002721600000000, -0.0001149300000000 ] - [ 0.0017807000000000, 0.0007302000000000, -0.0002878600000000 ] - [ 0.0000473200000000, 0.0001601200000000, 0.0000502100000000 ] - [ 0.0000195200000000, -0.0003515200000000, 0.0002174000000000 ] - [ 0.0001603700000000, -0.0000994700000000, -0.0002561100000000 ] - [ 0.0005591200000000, 0.0009713000000000, -0.0001153000000000 ] - [ -0.0002258400000000, 0.0000998100000000, -0.0000663600000000 ] - [ 0.0000920300000000, -0.0011769600000000, -0.0001418200000000 ] - [ -0.0000509200000000, 0.0000810900000000, -0.0002616200000000 ] - [ -0.0026850000000000, 0.0071838000000000, -0.0014886900000000 ] - [ -0.0000128900000000, 0.0000987800000000, 0.0002696100000000 ] - [ 0.0002783700000000, -0.0010416700000000, -0.0000392200000000 ] - [ 0.0021704100000000, -0.0023929800000000, 0.0013036700000000 ] - [ 0.0000900900000000, 0.0000459000000000, -0.0004817300000000 ] - [ 0.0001585800000000, 0.0005079100000000, -0.0001315000000000 ] - [ -0.0001553000000000, -0.0000888100000000, -0.0005138000000000 ] - [ 0.0002987300000000, -0.0004695000000000, -0.0002203400000000 ] - [ -0.0001317100000000, 0.0009042200000000, -0.0016734600000000 ] - [ -0.0001238500000000, 0.0001548400000000, -0.0002880600000000 ] - [ -0.0031827000000000, 0.0016272500000000, -0.0013540000000000 ] - [ 0.0000481200000000, -0.0000741300000000, -0.0000485200000000 ] - [ 0.0025976300000000, -0.0021649900000000, -0.0018874800000000 ] - [ -0.0001637100000000, -0.0001310800000000, 0.0000630200000000 ] - [ 0.0001511600000000, 0.0004364900000000, -0.0001243300000000 ] - [ 0.0001255900000000, -0.0001875500000000, 0.0000721300000000 ] - [ -0.0006804500000000, 0.0015881000000000, 0.0035065000000000 ] - [ 0.0001327900000000, 0.0001051100000000, 0.0000510700000000 ] - [ -0.0022211400000000, 0.0029987400000000, 0.0000160400000000 ] - [ 0.0000598200000000, 0.0004952700000000, -0.0004625600000000 ] - [ 0.0001623900000000, -0.0002513700000000, -0.0000524300000000 ] - [ 0.0007293700000000, 0.0004551100000000, -0.0008640400000000 ] - [ -0.0000979000000000, 0.0004168300000000, -0.0000011000000000 ] - [ 0.0000154700000000, 0.0000461500000000, -0.0000279500000000 ] - [ -0.0013357800000000, -0.0008402700000000, -0.0000383000000000 ] - [ 0.0002520500000000, -0.0000412700000000, -0.0000829900000000 ] - [ -0.0001177700000000, 0.0005543300000000, 0.0000387100000000 ] - [ 0.0001183600000000, -0.0400569100000000, 0.0018661000000000 ] - [ -0.0001987900000000, 0.0000339400000000, -0.0001110900000000 ] - [ 0.0001625500000000, 0.0007742700000000, -0.0000824300000000 ] - [ -0.0000294100000000, -0.0001266100000000, -0.0000068400000000 ] - [ -0.0000950600000000, -0.0020427000000000, -0.0001846700000000 ] - [ -0.0001126100000000, 0.0003408500000000, 0.0002305100000000 ] - [ 0.0001665700000000, 0.0004278600000000, -0.0000260300000000 ] - [ -0.0000342200000000, -0.0002417800000000, 0.0002180300000000 ] - [ 0.0019489700000000, 0.0039646600000000, -0.0003036700000000 ] - [ -0.0000336100000000, -0.0000986100000000, 0.0000212700000000 ] - [ 0.0026328400000000, 0.0037961500000000, -0.0000554100000000 ] - [ -0.0000315100000000, 0.0000800700000000, -0.0001274900000000 ] - [ -0.0000867100000000, -0.0000770600000000, 0.0002236400000000 ] - [ 0.0000596500000000, 0.0004899700000000, 0.0006292100000000 ] - [ -0.0001019100000000, 0.0003555300000000, 0.0001483400000000 ] - [ 0.0009136000000000, 0.0002726600000000, 0.0006914700000000 ] - [ -0.0001009000000000, -0.0000574400000000, 0.0001070200000000 ] - [ -0.0000146500000000, 0.0000824800000000, -0.0000096700000000 ] - [ -0.0000997100000000, 0.0005370000000000, -0.0000058200000000 ] - [ 0.0000572700000000, -0.0003764800000000, -0.0000956000000000 ] - [ -0.0002617300000000, -0.0002467300000000, -0.0000096000000000 ] - [ -0.0000181300000000, 0.0004872400000000, 0.0000574500000000 ] - [ -0.0001059600000000, 0.0002760600000000, -0.0001969400000000 ] - [ -0.0002443400000000, -0.0017728700000000, 0.0002117500000000 ]- atom: 105 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001434200000000, -0.0001301700000000, 0.0001913600000000 ] - [ -0.0009716100000000, 0.0002890600000000, 0.0006703800000000 ] - [ 0.0001470300000000, 0.0001427700000000, 0.0000401500000000 ] - [ -0.0004715100000000, 0.0002243100000000, 0.0001510500000000 ] - [ -0.0000854800000000, -0.0001617000000000, -0.0002374100000000 ] - [ -0.0004791500000000, 0.0002147200000000, -0.0004652500000000 ] - [ 0.0000246000000000, 0.0001685600000000, -0.0000864700000000 ] - [ -0.0003381300000000, 0.0001976100000000, -0.0001762400000000 ] - [ -0.0000065500000000, -0.0002153900000000, -0.0000539900000000 ] - [ 0.0001936600000000, 0.0008757600000000, 0.0006408000000000 ] - [ -0.0000871600000000, 0.0000610000000000, 0.0000154500000000 ] - [ -0.0006762100000000, -0.0040012600000000, -0.0036779900000000 ] - [ -0.0001160300000000, 0.0006374700000000, -0.0004003700000000 ] - [ -0.0001632200000000, -0.0001931700000000, -0.0000428000000000 ] - [ -0.0010123100000000, -0.0056621800000000, 0.0041451700000000 ] - [ 0.0001410000000000, 0.0000670900000000, 0.0000100100000000 ] - [ -0.0017057300000000, -0.0054661900000000, 0.0042831900000000 ] - [ 0.0000108800000000, 0.0000165100000000, -0.0000601200000000 ] - [ 0.0001747000000000, 0.0005115400000000, -0.0000659500000000 ] - [ -0.0000988400000000, 0.0000344700000000, -0.0001578200000000 ] - [ 0.0000685000000000, 0.0000818600000000, -0.0000240200000000 ] - [ -0.0026513100000000, -0.0055599200000000, -0.0050228700000000 ] - [ -0.0001316700000000, -0.0000082500000000, 0.0000776700000000 ] - [ 0.0000257200000000, 0.0003318500000000, -0.0000095400000000 ] - [ 0.0000255700000000, 0.0001661300000000, -0.0000833800000000 ] - [ -0.0005647500000000, -0.0004749400000000, 0.0002700700000000 ] - [ 0.0000507700000000, -0.0000891300000000, -0.0003733200000000 ] - [ -0.0000783600000000, 0.0001799600000000, 0.0000562400000000 ] - [ -0.0000044200000000, 0.0001833700000000, -0.0000496500000000 ] - [ 0.0004477300000000, -0.0005908700000000, -0.0000213400000000 ] - [ 0.0000196700000000, 0.0002399700000000, -0.0001372300000000 ] - [ 0.0001813200000000, 0.0000391900000000, 0.0000224800000000 ] - [ -0.0001218000000000, 0.0001721000000000, -0.0000306100000000 ] - [ 0.0027258300000000, -0.0012706200000000, 0.0021606400000000 ] - [ 0.0000678400000000, -0.0002651900000000, -0.0000217000000000 ] - [ 0.0002345900000000, -0.0000193600000000, 0.0003811600000000 ] - [ 0.0001147500000000, 0.0001497400000000, -0.0001074100000000 ] - [ 0.0004137600000000, -0.0007186100000000, -0.0000753700000000 ] - [ -0.0001639000000000, -0.0000510100000000, 0.0003770600000000 ] - [ -0.0001100400000000, 0.0001714000000000, -0.0001156100000000 ] - [ 0.0043757400000000, -0.0036086000000000, -0.0002677600000000 ] - [ -0.0001403200000000, 0.0001012200000000, -0.0000403200000000 ] - [ 0.0001953500000000, 0.0002451600000000, 0.0000608200000000 ] - [ 0.0000942000000000, 0.0000090400000000, -0.0001211700000000 ] - [ -0.0000604500000000, 0.0000157400000000, -0.0004686500000000 ] - [ 0.0005983500000000, 0.0001451600000000, -0.0003560600000000 ] - [ -0.0002805900000000, 0.0006349600000000, -0.0006886400000000 ] - [ 0.0000683600000000, 0.0002899400000000, -0.0003611800000000 ] - [ 0.0000760900000000, -0.0000838500000000, -0.0003063600000000 ] - [ 0.0020731600000000, 0.0002066300000000, -0.0000606100000000 ] - [ 0.0001727000000000, 0.0000281100000000, -0.0001353900000000 ] - [ 0.0004169600000000, -0.0003072700000000, 0.0004660600000000 ] - [ 0.0001891100000000, 0.0001737200000000, -0.0000583100000000 ] - [ 0.0000989500000000, 0.0000811700000000, 0.0000209100000000 ] - [ 0.0005212600000000, -0.0009017900000000, -0.0001716100000000 ] - [ -0.0000429100000000, -0.0000885300000000, 0.0001214500000000 ] - [ 0.0002257200000000, -0.0009533300000000, -0.0002339100000000 ] - [ -0.0000728000000000, 0.0002834600000000, -0.0003745800000000 ] - [ 0.0000936900000000, 0.0001303700000000, -0.0002471500000000 ] - [ -0.0005201100000000, -0.0000930600000000, -0.0005578600000000 ] - [ 0.0002227200000000, -0.0002988700000000, 0.0004803200000000 ] - [ 0.0000778800000000, 0.0001156300000000, -0.0000248400000000 ] - [ -0.0000250600000000, 0.0002950300000000, 0.0000786300000000 ] - [ -0.0000515600000000, -0.0002385400000000, 0.0002069600000000 ] - [ 0.0000923800000000, -0.0001724600000000, -0.0002054800000000 ] - [ -0.0003872900000000, 0.0004291300000000, -0.0004370800000000 ] - [ 0.0000978200000000, 0.0002008700000000, -0.0001772800000000 ] - [ 0.0000676500000000, 0.0001837400000000, -0.0003701300000000 ] - [ -0.0000822400000000, 0.0002352900000000, -0.0001102000000000 ] - [ -0.0018319700000000, -0.0006740300000000, 0.0004978100000000 ] - [ 0.0000200700000000, -0.0001965500000000, 0.0001733100000000 ] - [ 0.0000482400000000, 0.0003898700000000, -0.0004421700000000 ] - [ 0.0001618700000000, 0.0001854200000000, 0.0002017500000000 ] - [ -0.0002349000000000, -0.0010597200000000, 0.0001695800000000 ] - [ -0.0000965800000000, -0.0000127800000000, 0.0001188600000000 ] - [ -0.0004170900000000, 0.0010937900000000, 0.0000888800000000 ] - [ -0.0000040500000000, 0.0000546900000000, -0.0002777300000000 ] - [ 0.0027990500000000, -0.0076600200000000, 0.0020711900000000 ] - [ 0.0000678500000000, 0.0000371600000000, 0.0002692500000000 ] - [ -0.0002223100000000, 0.0009007400000000, -0.0004987300000000 ] - [ -0.0020314900000000, 0.0025810500000000, -0.0008903100000000 ] - [ 0.0000494600000000, -0.0002256400000000, 0.0000611300000000 ] - [ -0.0002966700000000, -0.0003273900000000, -0.0002897300000000 ] - [ 0.0000161300000000, -0.0000885600000000, 0.0009310500000000 ] - [ 0.0000318800000000, 0.0003115100000000, 0.0005331500000000 ] - [ 0.0004617700000000, -0.0007462000000000, 0.0013593000000000 ] - [ -0.0002054600000000, -0.0003129400000000, -0.0000235500000000 ] - [ 0.0028471600000000, -0.0014564800000000, 0.0016527800000000 ] - [ 0.0000091500000000, -0.0001888800000000, -0.0001114300000000 ] - [ -0.0025356400000000, 0.0024367800000000, 0.0020512100000000 ] - [ 0.0001065600000000, -0.0001314700000000, 0.0000967000000000 ] - [ -0.0002067300000000, -0.0001730600000000, -0.0000356600000000 ] - [ -0.0001393200000000, 0.0002166500000000, -0.0000895800000000 ] - [ 0.0006762000000000, -0.0016408500000000, -0.0034949400000000 ] - [ -0.0001193200000000, -0.0000750100000000, -0.0000326700000000 ] - [ 0.0022313600000000, -0.0030083300000000, -0.0000210200000000 ] - [ -0.0000409600000000, -0.0005816700000000, 0.0006005700000000 ] - [ -0.0001443900000000, 0.0003422700000000, -0.0000904900000000 ] - [ -0.0007466100000000, -0.0005402500000000, 0.0007204500000000 ] - [ 0.0000777800000000, -0.0003278400000000, 0.0001394200000000 ] - [ -0.0001367300000000, -0.0001507000000000, 0.0000674400000000 ] - [ 0.0012184900000000, 0.0009536700000000, -0.0000001100000000 ] - [ -0.0001300400000000, -0.0000633400000000, 0.0000432700000000 ] - [ 0.0002377300000000, -0.0004478600000000, 0.0000010200000000 ] - [ -0.0003510900000000, 0.0402596900000000, -0.0017443700000000 ] - [ -0.0000187700000000, -0.0001555100000000, -0.0000327300000000 ] - [ 0.0000557300000000, -0.0006509900000000, -0.0000601100000000 ] - [ 0.0002461700000000, 0.0000045500000000, 0.0001500800000000 ] - [ 0.0000072300000000, 0.0019901000000000, 0.0002009600000000 ] - [ 0.0000231100000000, -0.0002946900000000, -0.0002375200000000 ] - [ -0.0000773100000000, -0.0004731300000000, 0.0000212200000000 ] - [ 0.0001213700000000, 0.0002860200000000, -0.0002133100000000 ] - [ -0.0020159600000000, -0.0039974400000000, 0.0001795800000000 ] - [ -0.0000033700000000, 0.0000792200000000, 0.0001080600000000 ] - [ -0.0025597600000000, -0.0037270500000000, 0.0001822700000000 ] - [ 0.0000682100000000, -0.0000981700000000, -0.0000021300000000 ] - [ -0.0000211700000000, 0.0003250400000000, -0.0001840900000000 ] - [ -0.0001709200000000, -0.0007329100000000, -0.0006677200000000 ] - [ 0.0002099100000000, -0.0001094200000000, -0.0001853900000000 ] - [ -0.0008046600000000, -0.0005163800000000, -0.0006513500000000 ] - [ 0.0000114400000000, 0.0002233700000000, -0.0001651200000000 ] - [ -0.0000762000000000, -0.0002526300000000, 0.0000679300000000 ] - [ 0.0001910500000000, -0.0003658000000000, 0.0000650600000000 ] - [ 0.0000341000000000, 0.0002046300000000, 0.0000368000000000 ] - [ 0.0002998200000000, 0.0002647800000000, 0.0001923600000000 ] - [ 0.0000591600000000, -0.0005049000000000, -0.0002412000000000 ] - [ 0.0000641700000000, -0.0002581000000000, 0.0000154600000000 ] - [ 0.0002062000000000, 0.0017491100000000, -0.0000417100000000 ]- atom: 105 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0003599200000000, -0.0001798400000000, -0.0004952300000000 ] - [ -0.0001744900000000, -0.0001662500000000, 0.0005056800000000 ] - [ 0.0000864200000000, -0.0000646700000000, -0.0002475400000000 ] - [ 0.0005583800000000, -0.0002531600000000, 0.0002811400000000 ] - [ -0.0000028300000000, 0.0001204900000000, -0.0005359800000000 ] - [ -0.0000048800000000, 0.0001271300000000, 0.0001921400000000 ] - [ 0.0000293500000000, 0.0001082000000000, -0.0001224500000000 ] - [ -0.0002213700000000, 0.0002723200000000, 0.0000960500000000 ] - [ 0.0000562100000000, -0.0001097100000000, -0.0002830600000000 ] - [ 0.0001001200000000, -0.0001029200000000, 0.0005420600000000 ] - [ -0.0000663600000000, -0.0000185300000000, -0.0001655300000000 ] - [ 0.0010279000000000, 0.0027196200000000, 0.0056524500000000 ] - [ -0.0002550200000000, 0.0001347900000000, 0.0001963200000000 ] - [ -0.0000426600000000, -0.0000557100000000, -0.0003493600000000 ] - [ -0.0007083600000000, -0.0044695800000000, 0.0049199100000000 ] - [ 0.0001561500000000, 0.0000053200000000, -0.0000632400000000 ] - [ -0.0018737000000000, -0.0045657600000000, 0.0064144600000000 ] - [ 0.0000185000000000, 0.0001242100000000, -0.0001773100000000 ] - [ 0.0000972900000000, 0.0001090600000000, 0.0002143700000000 ] - [ -0.0000846400000000, 0.0001339600000000, -0.0003047300000000 ] - [ 0.0000723900000000, -0.0000675100000000, -0.0002821200000000 ] - [ 0.0029745900000000, 0.0043042100000000, 0.0074541800000000 ] - [ -0.0001122400000000, -0.0000164800000000, -0.0001661900000000 ] - [ -0.0001968200000000, -0.0001439000000000, 0.0001081200000000 ] - [ -0.0000080400000000, 0.0001615900000000, -0.0002348100000000 ] - [ -0.0005339200000000, 0.0000923500000000, 0.0004995100000000 ] - [ 0.0000044300000000, 0.0002467600000000, -0.0006121900000000 ] - [ -0.0000337500000000, -0.0000298900000000, 0.0002166900000000 ] - [ -0.0000218600000000, 0.0001111200000000, -0.0002851900000000 ] - [ -0.0000910600000000, 0.0001387600000000, 0.0015210900000000 ] - [ 0.0000322700000000, 0.0002805300000000, -0.0003759500000000 ] - [ 0.0000079300000000, -0.0003858200000000, 0.0003556000000000 ] - [ -0.0000203300000000, 0.0000514500000000, -0.0000746800000000 ] - [ 0.0050669400000000, -0.0020967400000000, 0.0051762800000000 ] - [ 0.0002081800000000, -0.0000069300000000, -0.0004275700000000 ] - [ 0.0000403900000000, 0.0001363200000000, 0.0001359500000000 ] - [ 0.0002640500000000, 0.0000080300000000, -0.0004136700000000 ] - [ 0.0001608900000000, 0.0000143800000000, 0.0009445300000000 ] - [ 0.0000532900000000, -0.0001758100000000, -0.0004127100000000 ] - [ -0.0000785600000000, -0.0000308800000000, -0.0000269800000000 ] - [ -0.0015528400000000, 0.0003647800000000, 0.0023158700000000 ] - [ -0.0001417500000000, 0.0000877500000000, -0.0002393100000000 ] - [ 0.0001356300000000, 0.0000030900000000, 0.0001978400000000 ] - [ 0.0001403600000000, 0.0000272700000000, -0.0003923100000000 ] - [ -0.0001970600000000, 0.0002884400000000, -0.0003641000000000 ] - [ 0.0005897600000000, 0.0004470500000000, -0.0002220000000000 ] - [ -0.0001816800000000, 0.0006214000000000, -0.0005645700000000 ] - [ -0.0000648700000000, 0.0002917700000000, -0.0002703900000000 ] - [ -0.0002222000000000, 0.0001708200000000, -0.0000401100000000 ] - [ -0.0042601600000000, 0.0015173100000000, 0.0058107000000000 ] - [ 0.0000252700000000, -0.0000890800000000, -0.0002711300000000 ] - [ -0.0000553500000000, 0.0002373000000000, -0.0004110300000000 ] - [ 0.0002153000000000, -0.0000666400000000, 0.0000289800000000 ] - [ -0.0000162700000000, 0.0001122300000000, -0.0004259800000000 ] - [ 0.0005484900000000, 0.0001290300000000, 0.0005206700000000 ] - [ -0.0000370400000000, -0.0001140300000000, 0.0000669200000000 ] - [ 0.0002638300000000, -0.0003531400000000, -0.0003387500000000 ] - [ -0.0000947800000000, 0.0001397100000000, -0.0001786300000000 ] - [ 0.0000604900000000, -0.0000571400000000, -0.0001176600000000 ] - [ -0.0003228300000000, 0.0004586000000000, -0.0005606600000000 ] - [ -0.0002833100000000, -0.0001540000000000, 0.0004877300000000 ] - [ 0.0001781200000000, -0.0001938200000000, -0.0002288200000000 ] - [ -0.0000859200000000, -0.0001543900000000, -0.0001085100000000 ] - [ 0.0000835100000000, -0.0000982600000000, -0.0002424900000000 ] - [ 0.0000062800000000, 0.0000039500000000, -0.0003202300000000 ] - [ 0.0000567900000000, 0.0015412800000000, 0.0012460800000000 ] - [ -0.0001049600000000, -0.0003542800000000, 0.0006397100000000 ] - [ -0.0000920900000000, 0.0000107200000000, -0.0000623000000000 ] - [ -0.0000136800000000, -0.0000397100000000, -0.0003227900000000 ] - [ -0.0006881500000000, -0.0005427700000000, -0.0006667600000000 ] - [ 0.0000177400000000, -0.0000301700000000, 0.0002063200000000 ] - [ 0.0001424000000000, -0.0000684000000000, 0.0000978300000000 ] - [ 0.0001458000000000, -0.0001624500000000, -0.0002582600000000 ] - [ 0.0006154300000000, -0.0004544800000000, 0.0003315000000000 ] - [ -0.0001658600000000, -0.0000218600000000, -0.0001787900000000 ] - [ 0.0000959800000000, -0.0009887500000000, -0.0001106700000000 ] - [ -0.0000501100000000, -0.0000359900000000, -0.0006464300000000 ] - [ 0.0009099600000000, -0.0015491000000000, 0.0026957500000000 ] - [ -0.0000133700000000, 0.0001375700000000, -0.0001360500000000 ] - [ 0.0001346400000000, -0.0006018400000000, 0.0009311700000000 ] - [ -0.0030275200000000, 0.0009510600000000, -0.0007515500000000 ] - [ 0.0000855200000000, -0.0002948800000000, 0.0003323400000000 ] - [ -0.0001935900000000, 0.0000337100000000, -0.0006722100000000 ] - [ -0.0000690700000000, -0.0003424800000000, 0.0013253500000000 ] - [ -0.0000034800000000, -0.0003828000000000, 0.0009460100000000 ] - [ 0.0002063900000000, 0.0000902400000000, -0.0004988500000000 ] - [ -0.0001558900000000, -0.0002153500000000, 0.0000213900000000 ] - [ 0.0022117000000000, -0.0014043900000000, 0.0009879300000000 ] - [ 0.0000392600000000, -0.0001349200000000, 0.0002658000000000 ] - [ 0.0035075300000000, -0.0012318700000000, -0.0031340800000000 ] - [ -0.0002363000000000, -0.0000347800000000, 0.0005923700000000 ] - [ 0.0000775100000000, 0.0001373000000000, -0.0003431300000000 ] - [ 0.0002241700000000, 0.0002103700000000, 0.0003704800000000 ] - [ -0.0003564200000000, 0.0010914700000000, -0.0018932800000000 ] - [ 0.0000687000000000, 0.0000613300000000, 0.0004077300000000 ] - [ -0.0023123800000000, 0.0027437100000000, -0.0009444300000000 ] - [ 0.0000847600000000, -0.0007627800000000, 0.0007134600000000 ] - [ 0.0001489900000000, -0.0002605200000000, 0.0003134200000000 ] - [ -0.0004892300000000, -0.0005690400000000, 0.0005896700000000 ] - [ 0.0000750200000000, -0.0002408300000000, 0.0000632900000000 ] - [ -0.0000983500000000, -0.0001010800000000, 0.0003706200000000 ] - [ -0.0000283200000000, 0.0003434500000000, -0.0014931500000000 ] - [ 0.0000434100000000, -0.0000244200000000, 0.0003856300000000 ] - [ -0.0000457200000000, 0.0000382800000000, -0.0003525600000000 ] - [ -0.0016967900000000, 0.0018842900000000, -0.0451029000000000 ] - [ -0.0000533500000000, -0.0001000500000000, 0.0001499600000000 ] - [ 0.0001900500000000, 0.0000727300000000, -0.0002726000000000 ] - [ 0.0001883800000000, 0.0000176000000000, 0.0004815800000000 ] - [ -0.0003950600000000, -0.0001101100000000, 0.0055409100000000 ] - [ -0.0000785900000000, 0.0000479400000000, -0.0000748300000000 ] - [ 0.0001417900000000, 0.0000778400000000, 0.0000754200000000 ] - [ 0.0000552400000000, 0.0002024500000000, 0.0001838000000000 ] - [ -0.0000669000000000, 0.0000350000000000, -0.0018492700000000 ] - [ -0.0000306600000000, -0.0000365300000000, 0.0004775100000000 ] - [ 0.0002315700000000, 0.0000146500000000, -0.0019234000000000 ] - [ 0.0000067900000000, -0.0000182900000000, 0.0001670500000000 ] - [ -0.0003953600000000, 0.0004421400000000, 0.0004825300000000 ] - [ -0.0000583100000000, 0.0008573700000000, 0.0007394100000000 ] - [ -0.0000905800000000, 0.0002594100000000, 0.0001007400000000 ] - [ 0.0005030100000000, 0.0004007200000000, 0.0006732500000000 ] - [ -0.0004694900000000, -0.0000958800000000, -0.0008697800000000 ] - [ -0.0000714200000000, -0.0001080700000000, 0.0002668400000000 ] - [ -0.0000199200000000, 0.0000918300000000, -0.0001497900000000 ] - [ 0.0000148400000000, -0.0000372900000000, 0.0004886900000000 ] - [ 0.0001316200000000, -0.0000584900000000, 0.0003053400000000 ] - [ 0.0000418400000000, -0.0001759500000000, -0.0001821700000000 ] - [ -0.0000552600000000, -0.0001961200000000, -0.0000553300000000 ] - [ 0.0003735400000000, -0.0000882800000000, 0.0054765000000000 ]- atom: 105 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001182100000000, 0.0001873100000000, 0.0005498500000000 ] - [ -0.0000667600000000, 0.0001609400000000, -0.0005620200000000 ] - [ 0.0001573900000000, 0.0000702400000000, 0.0001948500000000 ] - [ -0.0003124700000000, 0.0002465000000000, -0.0002276500000000 ] - [ -0.0000505700000000, -0.0001846100000000, 0.0005059000000000 ] - [ -0.0000464400000000, -0.0000619400000000, -0.0001608700000000 ] - [ 0.0000250900000000, -0.0001742600000000, 0.0001511900000000 ] - [ 0.0002776700000000, -0.0002066600000000, -0.0001245500000000 ] - [ 0.0000591500000000, 0.0000853200000000, 0.0002476500000000 ] - [ 0.0000135300000000, 0.0001270800000000, -0.0005090900000000 ] - [ -0.0000488800000000, -0.0000067000000000, 0.0002005100000000 ] - [ -0.0011483300000000, -0.0025365500000000, -0.0055740400000000 ] - [ -0.0000402500000000, 0.0000118000000000, -0.0001290300000000 ] - [ -0.0002497000000000, -0.0000920500000000, 0.0002830300000000 ] - [ 0.0009940600000000, 0.0047904200000000, -0.0050979000000000 ] - [ 0.0001373900000000, -0.0001535300000000, 0.0001291600000000 ] - [ 0.0017742700000000, 0.0043870000000000, -0.0062994100000000 ] - [ -0.0000134400000000, -0.0001120100000000, 0.0002215200000000 ] - [ -0.0001030800000000, -0.0001217600000000, -0.0001702000000000 ] - [ 0.0000798500000000, -0.0001224800000000, 0.0002610100000000 ] - [ 0.0000956700000000, 0.0001555900000000, 0.0001175000000000 ] - [ -0.0029488300000000, -0.0045481300000000, -0.0074513000000000 ] - [ -0.0000560300000000, 0.0001039600000000, 0.0003307400000000 ] - [ 0.0000283500000000, 0.0000553300000000, -0.0002727100000000 ] - [ 0.0000658900000000, -0.0000474300000000, 0.0002891600000000 ] - [ 0.0005849700000000, -0.0002067900000000, -0.0005500500000000 ] - [ -0.0000623500000000, -0.0001358500000000, 0.0005601200000000 ] - [ -0.0000231400000000, -0.0000841800000000, -0.0001623100000000 ] - [ -0.0000249900000000, 0.0003004600000000, 0.0002942200000000 ] - [ 0.0000511300000000, -0.0005512400000000, -0.0015293100000000 ] - [ 0.0000143300000000, 0.0001298300000000, 0.0003671400000000 ] - [ 0.0000386400000000, -0.0000256400000000, -0.0003460800000000 ] - [ -0.0001374100000000, -0.0000711100000000, 0.0002496600000000 ] - [ -0.0050427000000000, 0.0020864000000000, -0.0052045400000000 ] - [ -0.0000523700000000, -0.0000107300000000, 0.0002510600000000 ] - [ 0.0001164800000000, -0.0001157900000000, 0.0000383800000000 ] - [ 0.0000201700000000, 0.0001075500000000, 0.0000819000000000 ] - [ 0.0001232000000000, -0.0001311900000000, -0.0006147800000000 ] - [ -0.0003368300000000, 0.0002889700000000, 0.0007424500000000 ] - [ -0.0002048800000000, -0.0000854100000000, -0.0003044700000000 ] - [ 0.0012853500000000, -0.0004594800000000, -0.0023290200000000 ] - [ -0.0001334100000000, 0.0000007800000000, 0.0002439800000000 ] - [ 0.0001393200000000, -0.0000921500000000, -0.0001935000000000 ] - [ 0.0001345200000000, 0.0000609300000000, 0.0003881500000000 ] - [ 0.0001820700000000, -0.0003645800000000, -0.0000393300000000 ] - [ -0.0006044000000000, -0.0003678400000000, 0.0006257500000000 ] - [ 0.0001931100000000, -0.0006966700000000, 0.0009643900000000 ] - [ 0.0000778500000000, -0.0002123000000000, -0.0001333800000000 ] - [ 0.0000969900000000, -0.0001207400000000, -0.0002721800000000 ] - [ 0.0043219200000000, -0.0016075200000000, -0.0056537100000000 ] - [ 0.0000992700000000, 0.0001389600000000, 0.0005844800000000 ] - [ 0.0001799400000000, -0.0002873500000000, 0.0000978600000000 ] - [ -0.0000594700000000, -0.0000520900000000, -0.0000586100000000 ] - [ 0.0001706100000000, 0.0000071600000000, 0.0004531600000000 ] - [ -0.0006977500000000, -0.0002528300000000, -0.0004943000000000 ] - [ -0.0001198900000000, 0.0002314400000000, -0.0000945300000000 ] - [ -0.0003725900000000, 0.0001380300000000, 0.0006813400000000 ] - [ -0.0000172400000000, 0.0000749300000000, -0.0001641500000000 ] - [ 0.0000514300000000, -0.0001574500000000, -0.0002253000000000 ] - [ 0.0004374700000000, -0.0002466600000000, 0.0009068000000000 ] - [ 0.0004818100000000, 0.0002698300000000, -0.0002649300000000 ] - [ 0.0000240100000000, 0.0000759700000000, 0.0000029100000000 ] - [ -0.0001153700000000, 0.0002720200000000, -0.0001174600000000 ] - [ -0.0002891800000000, -0.0000192000000000, 0.0004683800000000 ] - [ 0.0000555100000000, -0.0001579100000000, -0.0000881000000000 ] - [ 0.0000202300000000, -0.0013895400000000, -0.0008157800000000 ] - [ 0.0000442400000000, 0.0001960000000000, -0.0002264000000000 ] - [ 0.0000296400000000, 0.0001428000000000, -0.0003463600000000 ] - [ -0.0000535300000000, 0.0000028800000000, 0.0000978300000000 ] - [ 0.0006010700000000, 0.0005842600000000, 0.0008908300000000 ] - [ 0.0000488900000000, -0.0000062200000000, 0.0000171900000000 ] - [ -0.0000751200000000, 0.0001055600000000, -0.0003223400000000 ] - [ 0.0001772900000000, 0.0002488400000000, 0.0002037500000000 ] - [ -0.0002969100000000, 0.0003708900000000, -0.0002813600000000 ] - [ -0.0001560400000000, 0.0001080300000000, 0.0002313300000000 ] - [ -0.0004208500000000, 0.0009052700000000, 0.0000583000000000 ] - [ -0.0000046600000000, 0.0001719800000000, 0.0001069200000000 ] - [ -0.0009583100000000, 0.0014090700000000, -0.0021707900000000 ] - [ 0.0000684200000000, -0.0000018700000000, 0.0006748900000000 ] - [ -0.0000774400000000, 0.0004596100000000, -0.0014710700000000 ] - [ 0.0031570700000000, -0.0007606600000000, 0.0011605000000000 ] - [ 0.0000544700000000, 0.0001133900000000, -0.0007522100000000 ] - [ 0.0000538000000000, 0.0001472200000000, 0.0002515900000000 ] - [ -0.0000704300000000, 0.0001658900000000, -0.0009062300000000 ] - [ 0.0003323200000000, 0.0002233800000000, -0.0006324700000000 ] - [ 0.0001225200000000, 0.0000712600000000, 0.0001778300000000 ] - [ -0.0001738600000000, 0.0000578600000000, -0.0003323200000000 ] - [ -0.0025401100000000, 0.0015701900000000, -0.0006836000000000 ] - [ 0.0000180800000000, -0.0001286800000000, -0.0004252600000000 ] - [ -0.0034535000000000, 0.0015098300000000, 0.0033089900000000 ] - [ 0.0001783800000000, -0.0002273600000000, -0.0004327800000000 ] - [ -0.0001337400000000, 0.0001265600000000, 0.0001830100000000 ] - [ -0.0002394000000000, -0.0001814200000000, -0.0003873500000000 ] - [ 0.0003416400000000, -0.0011229800000000, 0.0019332300000000 ] - [ -0.0000557500000000, -0.0000311000000000, -0.0003885500000000 ] - [ 0.0023247300000000, -0.0027662100000000, 0.0009354300000000 ] - [ -0.0000656300000000, 0.0006734400000000, -0.0005738500000000 ] - [ -0.0001287400000000, 0.0003498300000000, -0.0004540700000000 ] - [ 0.0004703000000000, 0.0004837800000000, -0.0007305000000000 ] - [ -0.0000950200000000, 0.0003295200000000, 0.0000758900000000 ] - [ -0.0000230000000000, -0.0000044500000000, -0.0003306100000000 ] - [ -0.0001019400000000, -0.0002389600000000, 0.0014552400000000 ] - [ 0.0000787800000000, -0.0000797100000000, -0.0004250300000000 ] - [ 0.0001656600000000, 0.0000678500000000, 0.0003924700000000 ] - [ 0.0013716900000000, -0.0017255100000000, 0.0452421600000000 ] - [ -0.0001639200000000, -0.0000217300000000, -0.0002933700000000 ] - [ 0.0000281000000000, 0.0000505500000000, 0.0001292600000000 ] - [ 0.0000286200000000, -0.0001392900000000, -0.0003379100000000 ] - [ 0.0003092400000000, 0.0000663200000000, -0.0056175300000000 ] - [ -0.0000110900000000, -0.0000016500000000, 0.0000697500000000 ] - [ -0.0000526200000000, -0.0001233400000000, -0.0000808800000000 ] - [ 0.0000315400000000, -0.0001576200000000, -0.0001788700000000 ] - [ 0.0000384600000000, -0.0000068400000000, 0.0017205600000000 ] - [ -0.0000060500000000, 0.0000167600000000, -0.0003475000000000 ] - [ -0.0001953700000000, -0.0000064700000000, 0.0020527800000000 ] - [ 0.0000299800000000, 0.0000002500000000, -0.0002963800000000 ] - [ 0.0002880300000000, -0.0001943500000000, -0.0004442200000000 ] - [ -0.0000520300000000, -0.0011040100000000, -0.0007778600000000 ] - [ 0.0001992200000000, -0.0000133600000000, -0.0001384700000000 ] - [ -0.0003965500000000, -0.0006441800000000, -0.0006345300000000 ] - [ 0.0003829700000000, 0.0002625000000000, 0.0008123600000000 ] - [ -0.0000194200000000, -0.0000623400000000, -0.0002082800000000 ] - [ 0.0001104100000000, 0.0000792300000000, 0.0002086700000000 ] - [ 0.0000767300000000, -0.0001340800000000, -0.0005467600000000 ] - [ -0.0000925200000000, 0.0000765800000000, -0.0001224300000000 ] - [ -0.0000005900000000, 0.0001586500000000, 0.0000003000000000 ] - [ 0.0000132700000000, 0.0002138500000000, -0.0001268300000000 ] - [ -0.0004095900000000, 0.0000700800000000, -0.0052157500000000 ]- atom: 109 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0023235500000000, 0.0021027500000000, 0.0025304600000000 ] - [ -0.0006068900000000, 0.0002646400000000, -0.0002876600000000 ] - [ 0.0001329900000000, 0.0000150400000000, -0.0000468600000000 ] - [ 0.0000838400000000, 0.0000276200000000, 0.0000886400000000 ] - [ -0.0000458800000000, -0.0000003800000000, -0.0002634200000000 ] - [ -0.0000762900000000, 0.0000992400000000, -0.0000462800000000 ] - [ 0.0001700700000000, -0.0001005100000000, 0.0000914700000000 ] - [ -0.0003482300000000, 0.0008768400000000, 0.0009206800000000 ] - [ -0.0006743300000000, -0.0000619800000000, -0.0002178600000000 ] - [ 0.0006114600000000, 0.0006597900000000, -0.0003757900000000 ] - [ -0.0001635300000000, -0.0002168300000000, 0.0001338200000000 ] - [ -0.0000082300000000, 0.0000277100000000, 0.0000420800000000 ] - [ -0.0000400500000000, 0.0001647800000000, 0.0000015200000000 ] - [ -0.0002624600000000, -0.0000579800000000, -0.0000371300000000 ] - [ 0.0025282700000000, 0.0010011700000000, 0.0012784600000000 ] - [ 0.0000245300000000, -0.0001003000000000, 0.0000462200000000 ] - [ 0.0001306800000000, -0.0000468200000000, 0.0002168300000000 ] - [ -0.0000603800000000, 0.0000496700000000, 0.0000833000000000 ] - [ 0.0001358200000000, -0.0000107600000000, -0.0000161000000000 ] - [ -0.0006953000000000, 0.0010018400000000, -0.0006797200000000 ] - [ 0.0000352400000000, 0.0004048000000000, 0.0000977500000000 ] - [ 0.0024509400000000, 0.0024601900000000, -0.0024242000000000 ] - [ -0.0001714800000000, 0.0001599000000000, -0.0000555900000000 ] - [ -0.0000911000000000, -0.0000222600000000, -0.0000834400000000 ] - [ 0.0001963900000000, 0.0001248900000000, 0.0000088200000000 ] - [ -0.0001854200000000, -0.0000746400000000, 0.0000032000000000 ] - [ 0.0021165400000000, 0.0012625900000000, -0.0015514300000000 ] - [ -0.0001618500000000, -0.0000285800000000, 0.0000324200000000 ] - [ 0.0000159800000000, 0.0005213500000000, 0.0002430900000000 ] - [ -0.0005009400000000, -0.0003057900000000, 0.0002878900000000 ] - [ 0.0001794000000000, 0.0000755800000000, 0.0001053900000000 ] - [ 0.0000564000000000, -0.0001733600000000, 0.0000598600000000 ] - [ -0.0002134500000000, -0.0000396100000000, -0.0000312400000000 ] - [ 0.0000343800000000, 0.0000874200000000, -0.0001355000000000 ] - [ -0.0013389900000000, 0.0006781700000000, -0.0000265100000000 ] - [ 0.0001576700000000, 0.0000505900000000, 0.0001690700000000 ] - [ 0.0003912100000000, 0.0000229000000000, -0.0001585300000000 ] - [ -0.0005601500000000, -0.0001018700000000, 0.0002272600000000 ] - [ -0.0000093300000000, 0.0000924300000000, 0.0000362800000000 ] - [ -0.0002103800000000, -0.0000982200000000, -0.0001942600000000 ] - [ -0.0004257200000000, 0.0000418500000000, 0.0005310200000000 ] - [ -0.0001222800000000, 0.0001034400000000, 0.0000158800000000 ] - [ 0.0001207900000000, -0.0000192400000000, 0.0000391300000000 ] - [ 0.0005095700000000, 0.0004456900000000, -0.0004234000000000 ] - [ -0.0000437200000000, 0.0000486400000000, -0.0001969800000000 ] - [ -0.0000442200000000, 0.0000498100000000, 0.0001902800000000 ] - [ 0.0006111800000000, 0.0009836700000000, 0.0000482400000000 ] - [ 0.0000298600000000, -0.0001552300000000, -0.0001329500000000 ] - [ -0.0004108600000000, 0.0000236900000000, -0.0000126300000000 ] - [ 0.0077251500000000, -0.0025263300000000, 0.0068572700000000 ] - [ 0.0001986200000000, 0.0002664500000000, -0.0000041100000000 ] - [ 0.0000910000000000, -0.0000061100000000, -0.0002097300000000 ] - [ 0.0000330700000000, -0.0000987700000000, 0.0000244500000000 ] - [ 0.0001662000000000, 0.0000587200000000, 0.0000782100000000 ] - [ -0.0004437000000000, -0.0003962300000000, -0.0001817000000000 ] - [ 0.0000135800000000, -0.0000175500000000, 0.0001133800000000 ] - [ -0.0001286900000000, -0.0001263700000000, 0.0001675400000000 ] - [ -0.0000397200000000, 0.0001174500000000, -0.0001836800000000 ] - [ 0.0000560200000000, -0.0001190600000000, -0.0001532700000000 ] - [ 0.0155169900000000, -0.0046553200000000, 0.0005590200000000 ] - [ 0.0000648700000000, -0.0000151300000000, -0.0001759500000000 ] - [ 0.0001453200000000, -0.0000661000000000, -0.0001913200000000 ] - [ -0.0002125400000000, -0.0000460100000000, -0.0000740200000000 ] - [ 0.0056952300000000, -0.0024378000000000, -0.0046999300000000 ] - [ 0.0000156600000000, -0.0000774400000000, -0.0001309600000000 ] - [ 0.0000055200000000, -0.0000342600000000, 0.0002681300000000 ] - [ 0.0078133700000000, 0.0018462900000000, -0.0013884300000000 ] - [ -0.0001053900000000, 0.0000468900000000, -0.0002206300000000 ] - [ -0.0000244500000000, -0.0000829600000000, -0.0002478900000000 ] - [ -0.0003871400000000, 0.0006311200000000, -0.0001167700000000 ] - [ 0.0000290300000000, -0.0001250400000000, -0.0000983400000000 ] - [ 0.0000268900000000, -0.0000344000000000, -0.0001164200000000 ] - [ -0.0004764000000000, -0.0003001600000000, 0.0000546300000000 ] - [ 0.0021939400000000, -0.0045634700000000, -0.0002567500000000 ] - [ -0.0002947100000000, -0.0002116100000000, 0.0001543200000000 ] - [ -0.0001271800000000, -0.0000527800000000, 0.0000098700000000 ] - [ -0.0004438100000000, -0.0000143000000000, -0.0005423700000000 ] - [ 0.0003222800000000, 0.0001249000000000, -0.0003935700000000 ] - [ 0.0001308100000000, -0.0002425800000000, 0.0007370100000000 ] - [ 0.0000859100000000, -0.0002126600000000, -0.0003170400000000 ] - [ 0.0002324300000000, 0.0002392000000000, -0.0002200700000000 ] - [ 0.0001961900000000, -0.0002982400000000, -0.0004162500000000 ] - [ -0.0000813200000000, 0.0001634700000000, -0.0001534700000000 ] - [ -0.0017952100000000, -0.0032753000000000, 0.0043344500000000 ] - [ 0.0003584100000000, -0.0001513300000000, 0.0002747100000000 ] - [ 0.0002526400000000, -0.0001046400000000, 0.0000247400000000 ] - [ -0.0002522000000000, 0.0000734300000000, -0.0002768800000000 ] - [ -0.0016788100000000, -0.0035687700000000, -0.0035136300000000 ] - [ -0.0001798700000000, -0.0004814800000000, -0.0001289100000000 ] - [ 0.0027324100000000, -0.0002661300000000, -0.0014040900000000 ] - [ -0.0002789800000000, -0.0005672100000000, 0.0003344000000000 ] - [ -0.0000857200000000, 0.0001274400000000, -0.0000608000000000 ] - [ 0.0028330700000000, 0.0005402500000000, 0.0007887400000000 ] - [ 0.0003275600000000, -0.0010371900000000, 0.0018347100000000 ] - [ -0.0003503000000000, 0.0000846400000000, -0.0002392400000000 ] - [ -0.0000015800000000, -0.0000577900000000, -0.0000482300000000 ] - [ -0.0000604300000000, 0.0000734200000000, 0.0000877800000000 ] - [ 0.0001339500000000, 0.0000427500000000, -0.0000615700000000 ] - [ -0.0006977200000000, 0.0019448100000000, 0.0001047600000000 ] - [ 0.0002369600000000, -0.0003250200000000, 0.0000097700000000 ] - [ -0.0002474500000000, 0.0006052800000000, 0.0006552400000000 ] - [ 0.0005411000000000, -0.0000751100000000, 0.0003850500000000 ] - [ -0.0003106200000000, -0.0000458800000000, -0.0000202700000000 ] - [ 0.0000630800000000, -0.0001397400000000, -0.0001686700000000 ] - [ -0.0018567900000000, 0.0000095400000000, -0.0002853600000000 ] - [ 0.0001149600000000, 0.0000095200000000, -0.0000394700000000 ] - [ 0.0000763100000000, -0.0000632100000000, 0.0000244900000000 ] - [ 0.0007511100000000, -0.0001379700000000, 0.0000599400000000 ] - [ -0.0465723300000000, 0.0061798500000000, -0.0008598600000000 ] - [ 0.0002675500000000, 0.0000129400000000, -0.0001174300000000 ] - [ 0.0000212400000000, -0.0000400900000000, 0.0000135300000000 ] - [ 0.0002257600000000, -0.0000311300000000, -0.0000019500000000 ] - [ -0.0003289600000000, 0.0007120700000000, -0.0005207600000000 ] - [ 0.0005880900000000, -0.0002279600000000, -0.0003622400000000 ] - [ -0.0003789500000000, 0.0000992000000000, -0.0000028300000000 ] - [ 0.0001400500000000, -0.0001984900000000, 0.0002069800000000 ] - [ 0.0017670700000000, -0.0006621100000000, 0.0000235800000000 ] - [ -0.0007738800000000, 0.0022214100000000, -0.0001913800000000 ] - [ 0.0001792000000000, 0.0000596800000000, -0.0000185100000000 ] - [ -0.0001237300000000, -0.0001278200000000, 0.0000376300000000 ] - [ 0.0006696200000000, 0.0001716000000000, -0.0000809300000000 ] - [ -0.0001598300000000, -0.0000940300000000, 0.0000981600000000 ] - [ 0.0002661300000000, 0.0000766100000000, 0.0000974600000000 ] - [ -0.0016020200000000, -0.0001644200000000, 0.0002922400000000 ] - [ 0.0019906700000000, 0.0000345000000000, 0.0003216500000000 ] - [ -0.0001976800000000, -0.0003276100000000, -0.0002771500000000 ] - [ 0.0000496600000000, 0.0000657200000000, -0.0001054800000000 ] - [ -0.0002218700000000, -0.0000223500000000, 0.0001129100000000 ]- atom: 109 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0026075500000000, -0.0021716800000000, -0.0025615600000000 ] - [ 0.0003724900000000, -0.0002693900000000, 0.0002398100000000 ] - [ 0.0001075700000000, -0.0000135700000000, -0.0000029000000000 ] - [ 0.0001545100000000, -0.0000297300000000, -0.0000379800000000 ] - [ -0.0000049200000000, -0.0000712500000000, 0.0002357000000000 ] - [ 0.0000249000000000, -0.0000276200000000, 0.0000742500000000 ] - [ -0.0001186100000000, 0.0000280400000000, -0.0000634500000000 ] - [ 0.0004001300000000, -0.0008109200000000, -0.0009534200000000 ] - [ 0.0007872200000000, 0.0000351200000000, 0.0001825700000000 ] - [ -0.0005011900000000, -0.0006314800000000, 0.0004127000000000 ] - [ 0.0000524800000000, 0.0001881000000000, -0.0000938500000000 ] - [ -0.0001022300000000, -0.0000012100000000, -0.0000789600000000 ] - [ -0.0002588800000000, -0.0000153100000000, 0.0000635600000000 ] - [ -0.0000367200000000, -0.0000913000000000, -0.0000278800000000 ] - [ -0.0022324000000000, -0.0008516600000000, -0.0013506800000000 ] - [ 0.0002746900000000, -0.0000505100000000, 0.0000187000000000 ] - [ -0.0001113500000000, 0.0000261000000000, -0.0002588400000000 ] - [ 0.0000785000000000, -0.0000294900000000, -0.0000396200000000 ] - [ -0.0001536100000000, -0.0000096400000000, 0.0000584500000000 ] - [ 0.0006771400000000, -0.0009839600000000, 0.0006370300000000 ] - [ 0.0001395900000000, -0.0003100400000000, -0.0002630800000000 ] - [ -0.0023117100000000, -0.0026197500000000, 0.0026746400000000 ] - [ -0.0000049700000000, -0.0000675100000000, 0.0002221000000000 ] - [ -0.0000842600000000, -0.0000709300000000, -0.0000819800000000 ] - [ -0.0001539400000000, -0.0000147100000000, 0.0000463900000000 ] - [ 0.0002270400000000, -0.0000335700000000, -0.0000573600000000 ] - [ -0.0021583400000000, -0.0011538300000000, 0.0015047800000000 ] - [ 0.0001198600000000, -0.0000824000000000, 0.0000218500000000 ] - [ -0.0000623300000000, -0.0001073600000000, -0.0002377000000000 ] - [ 0.0004490800000000, -0.0001068100000000, -0.0002855300000000 ] - [ -0.0001376400000000, 0.0003377000000000, -0.0001110100000000 ] - [ -0.0000098500000000, -0.0002395600000000, -0.0000581600000000 ] - [ 0.0000534300000000, 0.0000249200000000, 0.0002091400000000 ] - [ -0.0001937600000000, -0.0000724500000000, -0.0000405900000000 ] - [ 0.0014959000000000, -0.0006826500000000, -0.0001543700000000 ] - [ 0.0000019900000000, -0.0000368400000000, 0.0000087900000000 ] - [ -0.0001140700000000, 0.0000915400000000, -0.0001742000000000 ] - [ 0.0008367900000000, -0.0000100500000000, 0.0001022900000000 ] - [ -0.0002689100000000, 0.0000213500000000, 0.0002963000000000 ] - [ -0.0000668000000000, -0.0000170900000000, -0.0001388200000000 ] - [ 0.0001492300000000, -0.0001351200000000, -0.0005269700000000 ] - [ -0.0001543700000000, -0.0000085900000000, -0.0000193800000000 ] - [ 0.0001562000000000, -0.0000763400000000, -0.0000429900000000 ] - [ -0.0002361100000000, -0.0003538900000000, 0.0004299800000000 ] - [ 0.0000304600000000, -0.0001263900000000, -0.0002003700000000 ] - [ 0.0000313400000000, 0.0000282500000000, 0.0002077000000000 ] - [ -0.0006050900000000, -0.0010705400000000, 0.0003492200000000 ] - [ -0.0000163800000000, 0.0002319400000000, -0.0002654800000000 ] - [ 0.0002806500000000, 0.0000325400000000, -0.0002972900000000 ] - [ -0.0076537000000000, 0.0023813900000000, -0.0063314300000000 ] - [ -0.0000683700000000, -0.0002094800000000, 0.0003137600000000 ] - [ 0.0000388800000000, -0.0000503200000000, -0.0000997100000000 ] - [ 0.0001221300000000, -0.0000148100000000, -0.0000516100000000 ] - [ -0.0000111000000000, 0.0000542300000000, -0.0000523400000000 ] - [ 0.0002852700000000, 0.0002835600000000, 0.0002046600000000 ] - [ -0.0001705700000000, 0.0001295500000000, -0.0001391500000000 ] - [ 0.0000149300000000, -0.0000920400000000, 0.0001701900000000 ] - [ -0.0000743400000000, 0.0001007600000000, -0.0001534300000000 ] - [ 0.0000580200000000, -0.0000996500000000, -0.0001842200000000 ] - [ -0.0158795600000000, 0.0051489200000000, -0.0002509400000000 ] - [ 0.0001385600000000, 0.0001359600000000, 0.0003958800000000 ] - [ 0.0000577700000000, -0.0000560000000000, -0.0000280800000000 ] - [ 0.0000092800000000, 0.0001670300000000, -0.0001475900000000 ] - [ -0.0057255100000000, 0.0022574700000000, 0.0047539900000000 ] - [ 0.0000445300000000, -0.0000743200000000, -0.0002714500000000 ] - [ 0.0000544100000000, 0.0001854800000000, 0.0001338700000000 ] - [ -0.0076086000000000, -0.0019193900000000, 0.0017105000000000 ] - [ 0.0000440700000000, 0.0001057500000000, -0.0001819200000000 ] - [ -0.0000422600000000, 0.0000437800000000, 0.0000207400000000 ] - [ 0.0003248600000000, -0.0005892000000000, 0.0003449300000000 ] - [ 0.0000374400000000, 0.0000845100000000, 0.0003258200000000 ] - [ 0.0000392700000000, 0.0000736900000000, -0.0001107400000000 ] - [ 0.0007992200000000, 0.0003812900000000, -0.0000996600000000 ] - [ -0.0018625000000000, 0.0044119800000000, 0.0003347600000000 ] - [ -0.0000285000000000, 0.0002913700000000, -0.0001072600000000 ] - [ -0.0001959800000000, -0.0000270800000000, -0.0000551300000000 ] - [ 0.0003833600000000, 0.0001443500000000, -0.0000028100000000 ] - [ -0.0003784200000000, -0.0002561100000000, 0.0009326300000000 ] - [ -0.0000736200000000, 0.0003694700000000, -0.0001859700000000 ] - [ -0.0000330100000000, 0.0000818300000000, -0.0002226500000000 ] - [ -0.0000993700000000, -0.0000688000000000, 0.0006355700000000 ] - [ -0.0000608600000000, 0.0001245900000000, -0.0000038000000000 ] - [ -0.0000541000000000, 0.0000101900000000, -0.0002631700000000 ] - [ 0.0016867400000000, 0.0031247300000000, -0.0039481100000000 ] - [ -0.0000338700000000, -0.0000114400000000, 0.0000471400000000 ] - [ 0.0000720500000000, 0.0002662300000000, -0.0003461900000000 ] - [ -0.0000736400000000, -0.0002344900000000, -0.0000440200000000 ] - [ 0.0013840700000000, 0.0037498300000000, 0.0038651400000000 ] - [ 0.0002326100000000, 0.0002182600000000, -0.0000219800000000 ] - [ -0.0026776900000000, 0.0005148500000000, 0.0015674400000000 ] - [ 0.0002288100000000, 0.0003086600000000, -0.0001820300000000 ] - [ 0.0000330400000000, 0.0001357800000000, -0.0000909400000000 ] - [ -0.0028490800000000, -0.0005135400000000, -0.0008249500000000 ] - [ -0.0003379300000000, 0.0010019300000000, -0.0018208000000000 ] - [ 0.0003663900000000, -0.0000474200000000, 0.0002573000000000 ] - [ 0.0000227000000000, 0.0000234300000000, 0.0000223700000000 ] - [ 0.0000790900000000, -0.0001595000000000, 0.0000533500000000 ] - [ -0.0001144200000000, 0.0000435300000000, -0.0000801300000000 ] - [ 0.0006656100000000, -0.0020277800000000, -0.0002463700000000 ] - [ -0.0002565700000000, 0.0004138200000000, 0.0001323500000000 ] - [ 0.0001187900000000, -0.0007103100000000, -0.0006239000000000 ] - [ -0.0006657700000000, 0.0001811500000000, -0.0004196000000000 ] - [ 0.0004295000000000, -0.0000634500000000, -0.0000078900000000 ] - [ 0.0000637200000000, 0.0002477100000000, 0.0002020900000000 ] - [ 0.0016433500000000, 0.0001120000000000, 0.0004190800000000 ] - [ -0.0003243600000000, -0.0001264100000000, -0.0001070300000000 ] - [ 0.0001327100000000, 0.0001808900000000, -0.0001699400000000 ] - [ -0.0005405100000000, 0.0000174000000000, 0.0000836100000000 ] - [ 0.0463830900000000, -0.0062426100000000, 0.0008971300000000 ] - [ -0.0003452100000000, 0.0000401800000000, 0.0001158200000000 ] - [ 0.0000554700000000, -0.0000119800000000, -0.0000176500000000 ] - [ -0.0001482200000000, 0.0000830100000000, 0.0000051800000000 ] - [ 0.0002868400000000, -0.0006888100000000, 0.0003906800000000 ] - [ -0.0006254000000000, 0.0002080800000000, 0.0004924100000000 ] - [ 0.0004115500000000, -0.0000800200000000, 0.0001285900000000 ] - [ -0.0000978100000000, 0.0001788300000000, -0.0003376800000000 ] - [ -0.0018661500000000, 0.0008999500000000, 0.0000102400000000 ] - [ 0.0006661600000000, -0.0024686500000000, 0.0001601700000000 ] - [ -0.0000672100000000, 0.0001840200000000, -0.0000141300000000 ] - [ 0.0002338700000000, -0.0001163200000000, -0.0000059900000000 ] - [ -0.0007683100000000, 0.0000078800000000, 0.0000277800000000 ] - [ 0.0000597900000000, -0.0000870300000000, -0.0000432400000000 ] - [ -0.0001657200000000, 0.0001061000000000, -0.0000424700000000 ] - [ 0.0016995700000000, -0.0000125900000000, -0.0003351000000000 ] - [ -0.0019626100000000, -0.0000043100000000, -0.0001442700000000 ] - [ 0.0002296200000000, 0.0003006600000000, 0.0000990100000000 ] - [ -0.0000813200000000, -0.0000365900000000, -0.0000744300000000 ] - [ 0.0001898200000000, -0.0000061300000000, 0.0000661700000000 ]- atom: 109 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0014378800000000, 0.0043051200000000, 0.0039484100000000 ] - [ 0.0007790100000000, -0.0003716500000000, 0.0005320800000000 ] - [ 0.0001653300000000, -0.0002491200000000, 0.0001725600000000 ] - [ 0.0001805000000000, 0.0001540800000000, -0.0000188900000000 ] - [ 0.0000627700000000, 0.0001084300000000, -0.0001098200000000 ] - [ -0.0000177700000000, -0.0000422800000000, 0.0001389400000000 ] - [ -0.0001472000000000, -0.0005139600000000, 0.0000489700000000 ] - [ 0.0006530600000000, -0.0005678900000000, -0.0004810700000000 ] - [ -0.0002753200000000, 0.0007318100000000, -0.0000354300000000 ] - [ -0.0001516200000000, -0.0009920800000000, 0.0005007200000000 ] - [ -0.0000557500000000, -0.0001897500000000, 0.0001032200000000 ] - [ -0.0000232200000000, 0.0001943900000000, -0.0002595400000000 ] - [ -0.0001359300000000, -0.0000808400000000, 0.0001787500000000 ] - [ -0.0001399300000000, 0.0001467500000000, 0.0000493600000000 ] - [ 0.0011450100000000, 0.0069993900000000, 0.0058236800000000 ] - [ 0.0001655100000000, -0.0003013200000000, -0.0000004500000000 ] - [ 0.0000502200000000, 0.0001180800000000, 0.0002144200000000 ] - [ -0.0000868800000000, -0.0000648500000000, 0.0000285400000000 ] - [ -0.0002003000000000, -0.0004754200000000, -0.0002041600000000 ] - [ 0.0000554500000000, -0.0002830300000000, 0.0002747300000000 ] - [ 0.0001321100000000, -0.0000732800000000, -0.0002870200000000 ] - [ 0.0020912600000000, 0.0051103800000000, -0.0037531000000000 ] - [ 0.0000273800000000, -0.0000005200000000, 0.0002854700000000 ] - [ -0.0000720100000000, -0.0002106800000000, -0.0001238500000000 ] - [ 0.0000516700000000, -0.0000578400000000, 0.0000090400000000 ] - [ 0.0000729900000000, 0.0000984400000000, 0.0000727300000000 ] - [ 0.0014599700000000, 0.0065185200000000, -0.0049054100000000 ] - [ 0.0000058000000000, -0.0003509300000000, -0.0000616200000000 ] - [ 0.0000374700000000, 0.0002513000000000, -0.0000795500000000 ] - [ -0.0007431700000000, -0.0002729600000000, 0.0007319700000000 ] - [ 0.0001325800000000, -0.0004379400000000, 0.0007712500000000 ] - [ -0.0000383600000000, -0.0003710700000000, -0.0001496200000000 ] - [ -0.0001385100000000, -0.0000672100000000, 0.0001461500000000 ] - [ -0.0001417400000000, -0.0000607800000000, -0.0000885400000000 ] - [ -0.0002978400000000, 0.0008943100000000, 0.0000107400000000 ] - [ -0.0000039000000000, -0.0002753700000000, -0.0000570400000000 ] - [ 0.0002899100000000, -0.0003314800000000, -0.0003990900000000 ] - [ -0.0001576200000000, 0.0005233900000000, 0.0000701400000000 ] - [ -0.0002569700000000, 0.0001917900000000, 0.0005989700000000 ] - [ -0.0001340200000000, -0.0001962500000000, -0.0001608900000000 ] - [ -0.0004041900000000, 0.0007570700000000, 0.0004353500000000 ] - [ -0.0001366300000000, -0.0001051400000000, -0.0000674700000000 ] - [ 0.0000839900000000, -0.0002776700000000, -0.0001122600000000 ] - [ 0.0007528100000000, 0.0003654700000000, 0.0009940200000000 ] - [ -0.0000644200000000, 0.0000067000000000, -0.0001194200000000 ] - [ -0.0000321400000000, 0.0001114900000000, 0.0003369900000000 ] - [ 0.0000962700000000, -0.0013411700000000, 0.0002842600000000 ] - [ -0.0002020800000000, -0.0002326900000000, -0.0003049200000000 ] - [ -0.0005024500000000, 0.0002642000000000, 0.0000849700000000 ] - [ -0.0038485300000000, -0.0003791400000000, -0.0033850400000000 ] - [ -0.0000872300000000, 0.0000620400000000, 0.0004179500000000 ] - [ -0.0000643600000000, 0.0000486000000000, -0.0003995900000000 ] - [ 0.0001097600000000, -0.0002446100000000, 0.0001145800000000 ] - [ -0.0000288400000000, 0.0001318000000000, 0.0001107300000000 ] - [ -0.0002798200000000, 0.0002277600000000, -0.0005044000000000 ] - [ -0.0001770900000000, 0.0001187600000000, -0.0002825200000000 ] - [ -0.0000752100000000, 0.0000387900000000, 0.0003365400000000 ] - [ -0.0000755200000000, -0.0000119800000000, -0.0001590400000000 ] - [ -0.0000223600000000, -0.0003832600000000, -0.0002189200000000 ] - [ -0.0061953100000000, 0.0026626500000000, -0.0000926900000000 ] - [ 0.0000729800000000, 0.0001938500000000, 0.0003866300000000 ] - [ 0.0000382900000000, 0.0000206600000000, -0.0002940700000000 ] - [ -0.0001649100000000, -0.0002988000000000, -0.0001089100000000 ] - [ -0.0025249900000000, 0.0011666600000000, 0.0022011500000000 ] - [ 0.0000383900000000, -0.0001753600000000, -0.0001148700000000 ] - [ 0.0000128900000000, 0.0002003300000000, 0.0000895700000000 ] - [ 0.0010682500000000, -0.0003049000000000, -0.0002002400000000 ] - [ -0.0002119400000000, 0.0000964900000000, -0.0001756100000000 ] - [ 0.0000333300000000, -0.0004476300000000, -0.0001369900000000 ] - [ 0.0006809300000000, 0.0010372000000000, 0.0015726700000000 ] - [ 0.0000038800000000, 0.0000946600000000, 0.0001577900000000 ] - [ 0.0000301400000000, -0.0000928800000000, 0.0000263600000000 ] - [ -0.0003404800000000, -0.0005408700000000, -0.0001796600000000 ] - [ -0.0034343100000000, 0.0090013000000000, 0.0004246000000000 ] - [ -0.0001359800000000, 0.0001428500000000, 0.0000914800000000 ] - [ -0.0000972400000000, -0.0002225500000000, -0.0000018600000000 ] - [ -0.0005864000000000, -0.0002782600000000, -0.0007970700000000 ] - [ 0.0000954200000000, 0.0000196000000000, 0.0011306200000000 ] - [ -0.0001121800000000, -0.0000835500000000, 0.0005114200000000 ] - [ 0.0000055500000000, -0.0003286100000000, -0.0006145400000000 ] - [ 0.0001108900000000, -0.0002852200000000, -0.0003403200000000 ] - [ 0.0001633400000000, 0.0000676900000000, -0.0002043500000000 ] - [ 0.0001494400000000, 0.0004660700000000, -0.0000190500000000 ] - [ -0.0023709200000000, 0.0027252900000000, -0.0022452000000000 ] - [ 0.0002354800000000, -0.0003805800000000, 0.0001231400000000 ] - [ 0.0001758200000000, 0.0003105200000000, -0.0004980300000000 ] - [ 0.0001444900000000, 0.0002348800000000, 0.0000264800000000 ] - [ -0.0026955200000000, 0.0040782800000000, 0.0013221700000000 ] - [ -0.0000364900000000, 0.0000499700000000, 0.0003249800000000 ] - [ 0.0024098100000000, -0.0014797800000000, -0.0007917500000000 ] - [ -0.0001552900000000, 0.0000696600000000, -0.0006287000000000 ] - [ 0.0000422800000000, 0.0003490800000000, -0.0000295000000000 ] - [ 0.0030916200000000, 0.0000265900000000, 0.0000289200000000 ] - [ -0.0003997500000000, 0.0016002500000000, -0.0027293900000000 ] - [ 0.0001695800000000, 0.0001854100000000, -0.0003225400000000 ] - [ -0.0001403200000000, -0.0002259300000000, 0.0003550400000000 ] - [ 0.0000779600000000, 0.0000677300000000, -0.0000173600000000 ] - [ 0.0000416900000000, -0.0000578900000000, -0.0001854800000000 ] - [ 0.0030867700000000, 0.0041527600000000, -0.0000030200000000 ] - [ -0.0002522100000000, 0.0007735600000000, 0.0001014900000000 ] - [ -0.0001291400000000, 0.0006789800000000, 0.0005781800000000 ] - [ 0.0000421500000000, -0.0001101900000000, -0.0002351000000000 ] - [ 0.0008179600000000, 0.0005348700000000, -0.0008524500000000 ] - [ 0.0000556700000000, 0.0004290700000000, 0.0002996000000000 ] - [ -0.0002010000000000, -0.0019566100000000, -0.0000237400000000 ] - [ -0.0001617800000000, 0.0002576800000000, -0.0000475000000000 ] - [ 0.0000676400000000, 0.0005113900000000, -0.0001717400000000 ] - [ -0.0002265300000000, -0.0003240600000000, -0.0001078000000000 ] - [ 0.0061836600000000, -0.0471900900000000, 0.0008506300000000 ] - [ -0.0000317000000000, 0.0005199700000000, 0.0001599100000000 ] - [ 0.0000589700000000, 0.0001812800000000, -0.0000766900000000 ] - [ -0.0000122700000000, -0.0001786600000000, -0.0001677600000000 ] - [ 0.0000896500000000, 0.0005534800000000, -0.0005880000000000 ] - [ 0.0001812100000000, -0.0001720000000000, 0.0001653900000000 ] - [ 0.0008983200000000, 0.0002607400000000, 0.0007844100000000 ] - [ -0.0000434600000000, 0.0003987900000000, -0.0001966200000000 ] - [ -0.0008568800000000, -0.0004736000000000, 0.0005532000000000 ] - [ 0.0015627700000000, 0.0039749900000000, -0.0000068000000000 ] - [ 0.0000613600000000, 0.0002501600000000, -0.0001363900000000 ] - [ 0.0002033500000000, -0.0001304300000000, -0.0001487800000000 ] - [ -0.0002931300000000, -0.0004927300000000, 0.0002568500000000 ] - [ -0.0000038300000000, 0.0003889200000000, 0.0000262600000000 ] - [ 0.0000125100000000, 0.0005418500000000, -0.0001374800000000 ] - [ -0.0001622300000000, -0.0021505900000000, -0.0002322000000000 ] - [ -0.0009466200000000, -0.0001889500000000, 0.0003249000000000 ] - [ 0.0000640800000000, 0.0007901800000000, 0.0001194100000000 ] - [ -0.0001116300000000, 0.0001645000000000, -0.0001458200000000 ] - [ -0.0000638300000000, -0.0003248700000000, -0.0000847200000000 ]- atom: 109 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0017706700000000, -0.0043600100000000, -0.0040013600000000 ] - [ -0.0010185700000000, 0.0003628300000000, -0.0005810800000000 ] - [ 0.0000778300000000, 0.0002549400000000, -0.0002256700000000 ] - [ 0.0000629000000000, -0.0001609300000000, 0.0000718300000000 ] - [ -0.0001171400000000, -0.0001741200000000, 0.0000810200000000 ] - [ -0.0000373500000000, 0.0001085800000000, -0.0001104900000000 ] - [ 0.0002009000000000, 0.0004455500000000, -0.0000180400000000 ] - [ -0.0005970700000000, 0.0006318500000000, 0.0004536600000000 ] - [ 0.0003945200000000, -0.0007558400000000, 0.0000024700000000 ] - [ 0.0002652900000000, 0.0010196700000000, -0.0004659600000000 ] - [ -0.0000593100000000, 0.0001653800000000, -0.0000683500000000 ] - [ -0.0000921300000000, -0.0001700300000000, 0.0002239800000000 ] - [ -0.0001571900000000, 0.0002287500000000, -0.0001131700000000 ] - [ -0.0001527800000000, -0.0002943800000000, -0.0001158000000000 ] - [ -0.0008364900000000, -0.0066567000000000, -0.0056577000000000 ] - [ 0.0001278700000000, 0.0001527700000000, 0.0000675000000000 ] - [ -0.0000446500000000, -0.0001297500000000, -0.0002578900000000 ] - [ 0.0000915300000000, 0.0000762200000000, 0.0000153800000000 ] - [ 0.0001941700000000, 0.0004611200000000, 0.0002458100000000 ] - [ -0.0000625600000000, 0.0002973300000000, -0.0003205500000000 ] - [ 0.0000354000000000, 0.0001601400000000, 0.0001232600000000 ] - [ -0.0019983100000000, -0.0052675200000000, 0.0040317000000000 ] - [ -0.0001956400000000, 0.0000879400000000, -0.0001206700000000 ] - [ -0.0000961800000000, 0.0001226900000000, -0.0000407600000000 ] - [ 0.0000063000000000, 0.0001713800000000, 0.0000447100000000 ] - [ -0.0000148700000000, -0.0002109500000000, -0.0001269600000000 ] - [ -0.0014817600000000, -0.0062147300000000, 0.0046349100000000 ] - [ -0.0000628400000000, 0.0002363500000000, 0.0001151500000000 ] - [ -0.0000835100000000, 0.0001593000000000, 0.0000889800000000 ] - [ 0.0006944900000000, -0.0001383500000000, -0.0007387600000000 ] - [ -0.0000887800000000, 0.0008535700000000, -0.0007826800000000 ] - [ 0.0000854000000000, -0.0000405600000000, 0.0001576200000000 ] - [ -0.0000190900000000, 0.0000480300000000, 0.0000294500000000 ] - [ -0.0000157400000000, 0.0000816700000000, -0.0000859600000000 ] - [ 0.0004633000000000, -0.0009177500000000, -0.0001867500000000 ] - [ 0.0001615700000000, 0.0002947400000000, 0.0002323200000000 ] - [ -0.0000070500000000, 0.0004481100000000, 0.0000700100000000 ] - [ 0.0004437900000000, -0.0006385000000000, 0.0002607000000000 ] - [ -0.0000275600000000, -0.0000766300000000, -0.0002669900000000 ] - [ -0.0001500000000000, 0.0000803000000000, -0.0001710900000000 ] - [ 0.0001319200000000, -0.0008461300000000, -0.0004437300000000 ] - [ -0.0001384400000000, 0.0001931700000000, 0.0000726500000000 ] - [ 0.0001905200000000, 0.0001886600000000, 0.0001158300000000 ] - [ -0.0004742300000000, -0.0002768500000000, -0.0009921000000000 ] - [ 0.0000503800000000, -0.0000847600000000, -0.0002845700000000 ] - [ 0.0000188200000000, -0.0000329300000000, 0.0000660000000000 ] - [ -0.0000805200000000, 0.0012623300000000, 0.0001191700000000 ] - [ 0.0002131100000000, 0.0003100600000000, -0.0000978200000000 ] - [ 0.0003783900000000, -0.0002148300000000, -0.0003971000000000 ] - [ 0.0037394100000000, 0.0003521300000000, 0.0037134200000000 ] - [ 0.0002110800000000, -0.0000138900000000, -0.0001045400000000 ] - [ 0.0001889200000000, -0.0000978400000000, 0.0000854400000000 ] - [ 0.0000461100000000, 0.0001261800000000, -0.0001447400000000 ] - [ 0.0001844700000000, -0.0000131600000000, -0.0000824400000000 ] - [ 0.0001206900000000, -0.0003437000000000, 0.0005349300000000 ] - [ 0.0000200800000000, -0.0000004000000000, 0.0002545800000000 ] - [ -0.0000364500000000, -0.0002530100000000, 0.0000066800000000 ] - [ -0.0000364800000000, 0.0002261800000000, -0.0001850600000000 ] - [ 0.0001341800000000, 0.0001684900000000, -0.0001243000000000 ] - [ 0.0061761000000000, -0.0024156400000000, 0.0004324500000000 ] - [ 0.0001294000000000, -0.0000761300000000, -0.0001622500000000 ] - [ 0.0001646300000000, -0.0001396800000000, 0.0000701800000000 ] - [ -0.0000367200000000, 0.0004165400000000, -0.0001177000000000 ] - [ 0.0023483000000000, -0.0012783600000000, -0.0019886500000000 ] - [ 0.0000228100000000, 0.0000219000000000, -0.0002950000000000 ] - [ 0.0000486000000000, -0.0000472200000000, 0.0003202300000000 ] - [ -0.0011286100000000, 0.0001601900000000, 0.0006000500000000 ] - [ 0.0001503800000000, 0.0000589300000000, -0.0002343500000000 ] - [ -0.0001006800000000, 0.0004105500000000, -0.0000864200000000 ] - [ -0.0007516000000000, -0.0010144700000000, -0.0013575100000000 ] - [ 0.0000636600000000, -0.0001310500000000, 0.0000668800000000 ] - [ 0.0000371400000000, 0.0001291900000000, -0.0002496400000000 ] - [ 0.0006646900000000, 0.0006278000000000, 0.0001274300000000 ] - [ 0.0039307300000000, -0.0094049500000000, -0.0002674900000000 ] - [ -0.0001857800000000, -0.0000551900000000, -0.0000393600000000 ] - [ -0.0002253500000000, 0.0001355300000000, -0.0000507900000000 ] - [ 0.0005273200000000, 0.0004117500000000, 0.0002542100000000 ] - [ -0.0001524200000000, -0.0001565200000000, -0.0005970000000000 ] - [ 0.0001673100000000, 0.0002203400000000, 0.0000267900000000 ] - [ 0.0000468100000000, 0.0001959800000000, 0.0000777900000000 ] - [ 0.0000282000000000, 0.0004628900000000, 0.0007623000000000 ] - [ -0.0000231900000000, -0.0002475600000000, -0.0002158600000000 ] - [ -0.0002883900000000, -0.0002850600000000, -0.0004007100000000 ] - [ 0.0022195400000000, -0.0028980000000000, 0.0026560500000000 ] - [ 0.0000943500000000, 0.0002228300000000, 0.0001890700000000 ] - [ 0.0001542800000000, -0.0001545500000000, 0.0001879800000000 ] - [ -0.0004739600000000, -0.0003920300000000, -0.0003385200000000 ] - [ 0.0023415400000000, -0.0039006300000000, -0.0010001900000000 ] - [ 0.0000955600000000, -0.0003123300000000, -0.0004869700000000 ] - [ -0.0023537000000000, 0.0017369600000000, 0.0009513700000000 ] - [ 0.0000991800000000, -0.0003297500000000, 0.0007862200000000 ] - [ -0.0000984400000000, -0.0000856400000000, -0.0001289800000000 ] - [ -0.0031027800000000, -0.0000058500000000, -0.0000530200000000 ] - [ 0.0004028900000000, -0.0016470100000000, 0.0027395000000000 ] - [ -0.0001555300000000, -0.0001550900000000, 0.0003412900000000 ] - [ 0.0001546300000000, 0.0001976600000000, -0.0003730900000000 ] - [ -0.0000581000000000, -0.0001560400000000, 0.0001573200000000 ] - [ -0.0000219800000000, 0.0001455600000000, 0.0000463500000000 ] - [ -0.0030668800000000, -0.0041893200000000, -0.0001391400000000 ] - [ 0.0002311700000000, -0.0006838600000000, 0.0000371500000000 ] - [ 0.0000053000000000, -0.0007827800000000, -0.0005397900000000 ] - [ -0.0001645600000000, 0.0002142900000000, 0.0001920300000000 ] - [ -0.0006953900000000, -0.0006377900000000, 0.0008097800000000 ] - [ 0.0000666600000000, -0.0003234100000000, -0.0002579200000000 ] - [ -0.0000152100000000, 0.0020756900000000, 0.0001527700000000 ] - [ -0.0000557800000000, -0.0003783300000000, -0.0000971300000000 ] - [ 0.0001488300000000, -0.0003901000000000, 0.0000295100000000 ] - [ 0.0004409200000000, 0.0002032300000000, 0.0002523800000000 ] - [ -0.0062355600000000, 0.0471426700000000, -0.0009387600000000 ] - [ -0.0000585600000000, -0.0004731600000000, -0.0001644100000000 ] - [ 0.0000303300000000, -0.0002269400000000, 0.0000716500000000 ] - [ 0.0001013500000000, 0.0002246500000000, 0.0001734300000000 ] - [ -0.0001288800000000, -0.0005323500000000, 0.0004570500000000 ] - [ -0.0002194300000000, 0.0001541200000000, -0.0000322200000000 ] - [ -0.0008639800000000, -0.0002392500000000, -0.0006531400000000 ] - [ 0.0000802800000000, -0.0004177000000000, 0.0000656900000000 ] - [ 0.0007482100000000, 0.0007239400000000, -0.0005181100000000 ] - [ -0.0016980000000000, -0.0042744400000000, -0.0000270200000000 ] - [ 0.0000464600000000, -0.0000041500000000, 0.0000986900000000 ] - [ -0.0000950000000000, -0.0001145400000000, 0.0001870700000000 ] - [ 0.0002018800000000, 0.0006632100000000, -0.0003139300000000 ] - [ -0.0000873300000000, -0.0005597700000000, 0.0000306300000000 ] - [ 0.0000785700000000, -0.0003697700000000, 0.0001956100000000 ] - [ 0.0002557300000000, 0.0019764000000000, 0.0001887200000000 ] - [ 0.0009879200000000, 0.0002082400000000, -0.0001464200000000 ] - [ -0.0000225300000000, -0.0008064800000000, -0.0003015000000000 ] - [ 0.0000701300000000, -0.0001471300000000, -0.0000356400000000 ] - [ 0.0000225300000000, 0.0003068400000000, 0.0002668800000000 ]- atom: 109 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0015630200000000, 0.0036340700000000, 0.0054264900000000 ] - [ -0.0004035800000000, 0.0001436500000000, 0.0000451100000000 ] - [ 0.0001202500000000, 0.0001206200000000, -0.0002001900000000 ] - [ 0.0001801900000000, -0.0001549900000000, -0.0001916100000000 ] - [ -0.0002892500000000, -0.0000848100000000, -0.0006862400000000 ] - [ 0.0000230700000000, 0.0001443400000000, -0.0002522800000000 ] - [ 0.0002035300000000, 0.0000493400000000, 0.0002489100000000 ] - [ 0.0001211000000000, 0.0000805600000000, 0.0007206500000000 ] - [ -0.0003091400000000, -0.0000165200000000, 0.0002120100000000 ] - [ 0.0001376100000000, 0.0003353100000000, 0.0000409600000000 ] - [ -0.0000402700000000, 0.0000235500000000, -0.0000842000000000 ] - [ 0.0000277500000000, -0.0002803800000000, -0.0004979100000000 ] - [ -0.0002058300000000, 0.0001586300000000, -0.0002650200000000 ] - [ -0.0000970200000000, -0.0000786600000000, -0.0003817100000000 ] - [ 0.0018156700000000, 0.0049409200000000, 0.0080504800000000 ] - [ 0.0001135000000000, -0.0001293400000000, 0.0002363900000000 ] - [ 0.0000116500000000, 0.0001813700000000, -0.0006535700000000 ] - [ -0.0000926700000000, -0.0001512800000000, -0.0001768900000000 ] - [ -0.0001360800000000, -0.0001282300000000, 0.0002111500000000 ] - [ 0.0003333300000000, -0.0002174100000000, 0.0004069600000000 ] - [ 0.0001115400000000, -0.0001182300000000, 0.0002286500000000 ] - [ -0.0025077000000000, -0.0044026100000000, 0.0052933700000000 ] - [ -0.0002001200000000, 0.0002052000000000, -0.0002168900000000 ] - [ -0.0000909400000000, -0.0001325400000000, -0.0002674100000000 ] - [ 0.0001323600000000, -0.0000548600000000, -0.0002444200000000 ] - [ 0.0000940100000000, -0.0000547600000000, -0.0004417300000000 ] - [ -0.0017939500000000, -0.0049189900000000, 0.0067902800000000 ] - [ 0.0000015800000000, -0.0000477700000000, 0.0001663400000000 ] - [ 0.0002243500000000, -0.0002238900000000, -0.0001938300000000 ] - [ 0.0006812900000000, 0.0000780200000000, -0.0007850100000000 ] - [ -0.0000594300000000, 0.0008965800000000, -0.0004721600000000 ] - [ 0.0000064600000000, -0.0002639800000000, 0.0000319400000000 ] - [ -0.0001775200000000, 0.0000261900000000, 0.0000603500000000 ] - [ -0.0001644100000000, 0.0000551300000000, -0.0004838300000000 ] - [ 0.0005321900000000, 0.0000395200000000, 0.0002968900000000 ] - [ 0.0000806500000000, 0.0001099500000000, 0.0001052800000000 ] - [ 0.0001209800000000, -0.0000999800000000, 0.0001502700000000 ] - [ 0.0005546000000000, -0.0002021900000000, 0.0003005000000000 ] - [ -0.0000702600000000, 0.0002013600000000, -0.0003803600000000 ] - [ -0.0001992000000000, -0.0000774900000000, -0.0003172700000000 ] - [ 0.0003413600000000, -0.0001247800000000, -0.0008508700000000 ] - [ -0.0001117900000000, -0.0000577700000000, 0.0000426100000000 ] - [ 0.0001158400000000, -0.0000506700000000, -0.0000291900000000 ] - [ -0.0002782500000000, 0.0001364400000000, -0.0005087100000000 ] - [ -0.0000463000000000, -0.0000075900000000, -0.0005869700000000 ] - [ 0.0000197800000000, 0.0000661300000000, -0.0002538200000000 ] - [ 0.0001279500000000, 0.0000572100000000, 0.0016998700000000 ] - [ 0.0000600900000000, -0.0000161100000000, 0.0002031500000000 ] - [ -0.0002234300000000, -0.0000097200000000, 0.0002393000000000 ] - [ 0.0058454300000000, -0.0017712100000000, 0.0066970300000000 ] - [ 0.0000575100000000, -0.0003336400000000, 0.0000056200000000 ] - [ 0.0001171300000000, -0.0001076900000000, -0.0003622500000000 ] - [ 0.0000638700000000, 0.0001236000000000, -0.0002052900000000 ] - [ 0.0003030700000000, 0.0000826700000000, -0.0003742200000000 ] - [ -0.0002790100000000, 0.0000452000000000, 0.0005121200000000 ] - [ -0.0001275300000000, 0.0002344200000000, 0.0001174300000000 ] - [ -0.0000657800000000, -0.0000931100000000, -0.0003118300000000 ] - [ -0.0000531400000000, 0.0000475200000000, -0.0005108400000000 ] - [ 0.0000427900000000, -0.0001529900000000, 0.0000632500000000 ] - [ 0.0009092800000000, -0.0003028200000000, 0.0021201500000000 ] - [ 0.0000888700000000, 0.0000560600000000, -0.0003219500000000 ] - [ 0.0001308200000000, -0.0002114900000000, -0.0000717600000000 ] - [ -0.0000049100000000, 0.0001056400000000, 0.0000627400000000 ] - [ -0.0044785500000000, 0.0022216800000000, 0.0063779100000000 ] - [ -0.0000107300000000, -0.0000064000000000, -0.0002872800000000 ] - [ 0.0000027700000000, 0.0000573900000000, 0.0004365900000000 ] - [ -0.0007749600000000, -0.0007660200000000, -0.0010276500000000 ] - [ 0.0000397900000000, 0.0001731200000000, -0.0001758500000000 ] - [ 0.0000072400000000, -0.0001747700000000, -0.0000367500000000 ] - [ -0.0004131000000000, 0.0003819100000000, 0.0001693300000000 ] - [ 0.0001397300000000, 0.0000298800000000, 0.0000716900000000 ] - [ 0.0000439200000000, 0.0000495400000000, -0.0002181300000000 ] - [ -0.0006669000000000, -0.0006047300000000, 0.0006317800000000 ] - [ 0.0001024000000000, -0.0003117400000000, -0.0001617800000000 ] - [ -0.0000893600000000, 0.0002320600000000, -0.0002207800000000 ] - [ -0.0002146000000000, -0.0001364300000000, -0.0002537700000000 ] - [ -0.0006101400000000, -0.0005018400000000, -0.0008865000000000 ] - [ -0.0002690300000000, 0.0002874700000000, -0.0000808100000000 ] - [ 0.0000409600000000, 0.0001523600000000, 0.0001609400000000 ] - [ 0.0001380500000000, -0.0003794900000000, -0.0006563400000000 ] - [ -0.0000221100000000, -0.0001401000000000, 0.0015279200000000 ] - [ 0.0000494300000000, 0.0001947400000000, 0.0003859800000000 ] - [ 0.0000638700000000, 0.0001226500000000, -0.0004768300000000 ] - [ 0.0028546200000000, -0.0016203900000000, -0.0009298400000000 ] - [ 0.0002965500000000, -0.0002120300000000, 0.0009178500000000 ] - [ 0.0001345500000000, -0.0000535600000000, 0.0004612000000000 ] - [ -0.0003418800000000, -0.0000620500000000, -0.0006168000000000 ] - [ -0.0036305200000000, 0.0017807600000000, -0.0025223100000000 ] - [ 0.0000141500000000, 0.0001354300000000, -0.0005038800000000 ] - [ -0.0028484300000000, 0.0011676500000000, 0.0017120900000000 ] - [ -0.0000741000000000, -0.0004808800000000, 0.0008235700000000 ] - [ 0.0000302100000000, 0.0001859100000000, 0.0000814300000000 ] - [ 0.0038566900000000, 0.0006995500000000, -0.0000513600000000 ] - [ 0.0002495000000000, -0.0007212100000000, 0.0008263700000000 ] - [ -0.0000041100000000, -0.0000356800000000, 0.0001320500000000 ] - [ -0.0001181600000000, 0.0001506700000000, 0.0003312400000000 ] - [ 0.0000365000000000, -0.0001163800000000, 0.0004688400000000 ] - [ -0.0000517800000000, -0.0000503000000000, 0.0003775800000000 ] - [ 0.0001297700000000, -0.0000919800000000, -0.0022862400000000 ] - [ 0.0000610600000000, 0.0000757200000000, -0.0001551600000000 ] - [ -0.0002609200000000, 0.0008603800000000, 0.0007506400000000 ] - [ -0.0000873200000000, -0.0002604700000000, 0.0005168100000000 ] - [ -0.0004400000000000, -0.0005932700000000, 0.0006903500000000 ] - [ -0.0000232800000000, 0.0001858700000000, 0.0000332700000000 ] - [ 0.0005277100000000, -0.0001332700000000, 0.0056912100000000 ] - [ -0.0000954300000000, 0.0001731100000000, -0.0001442600000000 ] - [ 0.0001263000000000, 0.0000845700000000, 0.0000062500000000 ] - [ 0.0002306200000000, -0.0002758300000000, 0.0002541400000000 ] - [ -0.0010098800000000, 0.0008498300000000, -0.0459886900000000 ] - [ 0.0000712300000000, 0.0001850700000000, -0.0003203300000000 ] - [ 0.0000603200000000, 0.0000508800000000, 0.0002651800000000 ] - [ 0.0000480300000000, 0.0001938500000000, 0.0004585000000000 ] - [ 0.0000680500000000, -0.0008113100000000, 0.0005967100000000 ] - [ -0.0000043200000000, 0.0001933900000000, 0.0006049200000000 ] - [ 0.0005110000000000, 0.0005866200000000, 0.0007330200000000 ] - [ 0.0001533200000000, -0.0001366800000000, -0.0001517000000000 ] - [ 0.0004423700000000, 0.0003552400000000, -0.0017778900000000 ] - [ -0.0004194300000000, -0.0003298100000000, -0.0021458200000000 ] - [ -0.0000492400000000, 0.0001246000000000, 0.0002841400000000 ] - [ 0.0001183700000000, -0.0000935800000000, 0.0004565600000000 ] - [ -0.0000092000000000, 0.0004650300000000, 0.0001668600000000 ] - [ -0.0000643000000000, -0.0001769300000000, -0.0000256500000000 ] - [ 0.0000327200000000, -0.0001799400000000, 0.0000672100000000 ] - [ -0.0007038600000000, 0.0001057900000000, 0.0057223800000000 ] - [ -0.0002441400000000, -0.0002002400000000, -0.0007263400000000 ] - [ -0.0000217600000000, -0.0001157100000000, -0.0003815400000000 ] - [ -0.0000144200000000, -0.0000369700000000, 0.0001851100000000 ] - [ -0.0000027700000000, -0.0000034000000000, 0.0006266200000000 ]- atom: 109 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0019269200000000, -0.0037650100000000, -0.0054950500000000 ] - [ 0.0001690000000000, -0.0001509400000000, -0.0000929600000000 ] - [ 0.0001204900000000, -0.0001166000000000, 0.0001476900000000 ] - [ 0.0000610800000000, 0.0001502000000000, 0.0002439300000000 ] - [ 0.0002382600000000, 0.0000172600000000, 0.0006605700000000 ] - [ -0.0000762300000000, -0.0000751100000000, 0.0002807000000000 ] - [ -0.0001512000000000, -0.0001190200000000, -0.0002200100000000 ] - [ -0.0000690100000000, -0.0000099000000000, -0.0007450200000000 ] - [ 0.0004273000000000, -0.0000119000000000, -0.0002483000000000 ] - [ -0.0000272000000000, -0.0003119000000000, -0.0000023800000000 ] - [ -0.0000724700000000, -0.0000489200000000, 0.0001204000000000 ] - [ -0.0001403200000000, 0.0003034000000000, 0.0004602800000000 ] - [ -0.0000904400000000, -0.0000093600000000, 0.0003302300000000 ] - [ -0.0001987100000000, -0.0000702800000000, 0.0003156100000000 ] - [ -0.0014950600000000, -0.0045816200000000, -0.0079343500000000 ] - [ 0.0001826700000000, -0.0000195700000000, -0.0001702900000000 ] - [ 0.0000018100000000, -0.0001956800000000, 0.0006085500000000 ] - [ 0.0001045400000000, 0.0001674600000000, 0.0002205600000000 ] - [ 0.0001239500000000, 0.0001113100000000, -0.0001683000000000 ] - [ -0.0003477000000000, 0.0002386300000000, -0.0004550500000000 ] - [ 0.0000598400000000, 0.0002088800000000, -0.0003937600000000 ] - [ 0.0025629700000000, 0.0041778400000000, -0.0050021600000000 ] - [ 0.0000285700000000, -0.0001156900000000, 0.0003825500000000 ] - [ -0.0000810000000000, 0.0000421200000000, 0.0001030000000000 ] - [ -0.0000825400000000, 0.0001670700000000, 0.0002987100000000 ] - [ -0.0000433200000000, -0.0000559700000000, 0.0003874800000000 ] - [ 0.0017828400000000, 0.0052397000000000, -0.0070012400000000 ] - [ -0.0000510900000000, -0.0000644500000000, -0.0001125400000000 ] - [ -0.0002717200000000, 0.0006366200000000, 0.0001996100000000 ] - [ -0.0007298300000000, -0.0004899400000000, 0.0007817000000000 ] - [ 0.0001032300000000, -0.0004840000000000, 0.0004641600000000 ] - [ 0.0000399800000000, -0.0001477700000000, -0.0000261800000000 ] - [ 0.0000189800000000, -0.0000426100000000, 0.0001161900000000 ] - [ 0.0000038100000000, -0.0000376100000000, 0.0003067800000000 ] - [ -0.0003653400000000, -0.0000623000000000, -0.0004747000000000 ] - [ 0.0000774600000000, -0.0000932800000000, 0.0000707800000000 ] - [ 0.0001590400000000, 0.0002152900000000, -0.0004821500000000 ] - [ -0.0002715600000000, 0.0000870300000000, 0.0000311200000000 ] - [ -0.0002106500000000, -0.0000892500000000, 0.0007140000000000 ] - [ -0.0000811900000000, -0.0000379400000000, -0.0000148300000000 ] - [ -0.0006132600000000, 0.0000339000000000, 0.0008477000000000 ] - [ -0.0001641400000000, 0.0001498300000000, -0.0000417600000000 ] - [ 0.0001596800000000, -0.0000412400000000, 0.0000295400000000 ] - [ 0.0005563300000000, -0.0000476300000000, 0.0005094900000000 ] - [ 0.0000326000000000, -0.0000699100000000, 0.0001862400000000 ] - [ -0.0000324200000000, 0.0000124000000000, 0.0006544100000000 ] - [ -0.0001084800000000, -0.0001377000000000, -0.0012991200000000 ] - [ -0.0000468700000000, 0.0000939400000000, -0.0006033300000000 ] - [ 0.0000971300000000, 0.0000610400000000, -0.0005522900000000 ] - [ -0.0057865300000000, 0.0016631200000000, -0.0062617300000000 ] - [ 0.0000692700000000, 0.0003874600000000, 0.0003048700000000 ] - [ 0.0000101300000000, 0.0000547400000000, 0.0000508100000000 ] - [ 0.0000919100000000, -0.0002394500000000, 0.0001770200000000 ] - [ -0.0001505400000000, 0.0000337800000000, 0.0004026800000000 ] - [ 0.0001202400000000, -0.0001628600000000, -0.0004867900000000 ] - [ -0.0000287200000000, -0.0001185700000000, -0.0001440700000000 ] - [ -0.0000464100000000, -0.0001231500000000, 0.0006523700000000 ] - [ -0.0000598700000000, 0.0001687400000000, 0.0001703100000000 ] - [ 0.0000702800000000, -0.0000636000000000, -0.0004036900000000 ] - [ -0.0007697700000000, 0.0005171900000000, -0.0017752400000000 ] - [ 0.0001140000000000, 0.0000636700000000, 0.0005460100000000 ] - [ 0.0000725500000000, 0.0000910700000000, -0.0001504600000000 ] - [ -0.0001980600000000, 0.0000140200000000, -0.0002862000000000 ] - [ 0.0044503600000000, -0.0023981000000000, -0.0062887700000000 ] - [ 0.0000715100000000, -0.0001463000000000, -0.0001191300000000 ] - [ 0.0000578900000000, 0.0000960800000000, -0.0000309400000000 ] - [ 0.0006979900000000, 0.0006193400000000, 0.0014356000000000 ] - [ -0.0001009500000000, -0.0000203600000000, -0.0002301200000000 ] - [ -0.0000743900000000, 0.0001375000000000, -0.0001883200000000 ] - [ 0.0003536500000000, -0.0003408000000000, 0.0000707300000000 ] - [ -0.0000736400000000, -0.0000700100000000, 0.0001568000000000 ] - [ 0.0000230000000000, -0.0000114400000000, -0.0000074100000000 ] - [ 0.0009952600000000, 0.0006926600000000, -0.0006814200000000 ] - [ 0.0002096900000000, 0.0002515300000000, 0.0002259000000000 ] - [ -0.0002333400000000, -0.0001492700000000, 0.0002703500000000 ] - [ -0.0001082200000000, 0.0000527200000000, 0.0002046600000000 ] - [ 0.0005519000000000, 0.0006339700000000, 0.0003431600000000 ] - [ 0.0002118600000000, -0.0004179700000000, 0.0006202400000000 ] - [ 0.0000144200000000, -0.0000173700000000, 0.0003775400000000 ] - [ -0.0000847500000000, 0.0002464300000000, 0.0001176500000000 ] - [ 0.0001567600000000, 0.0003134800000000, -0.0011070800000000 ] - [ 0.0000876000000000, -0.0003720600000000, -0.0008063500000000 ] - [ -0.0002005000000000, 0.0000540700000000, 0.0000578000000000 ] - [ -0.0030076900000000, 0.0014441600000000, 0.0013636500000000 ] - [ 0.0000291200000000, 0.0000526200000000, -0.0006012200000000 ] - [ 0.0001926400000000, 0.0002123600000000, -0.0007772300000000 ] - [ 0.0000145600000000, -0.0000977100000000, 0.0002995300000000 ] - [ 0.0032898800000000, -0.0016283400000000, 0.0028206600000000 ] - [ 0.0000411700000000, -0.0003979200000000, 0.0003472900000000 ] - [ 0.0028943300000000, -0.0009105200000000, -0.0015444600000000 ] - [ 0.0000197700000000, 0.0002217700000000, -0.0006685000000000 ] - [ -0.0000846800000000, 0.0000765500000000, -0.0002386000000000 ] - [ -0.0038833600000000, -0.0006726500000000, 0.0000191400000000 ] - [ -0.0002621600000000, 0.0006898400000000, -0.0008214100000000 ] - [ 0.0000213100000000, 0.0000681400000000, -0.0001097500000000 ] - [ 0.0001349500000000, -0.0001809100000000, -0.0003520400000000 ] - [ -0.0000170100000000, 0.0000279000000000, -0.0003280500000000 ] - [ 0.0000712700000000, 0.0001372100000000, -0.0005180400000000 ] - [ -0.0001522900000000, -0.0000079600000000, 0.0021446500000000 ] - [ -0.0000819300000000, 0.0000114300000000, 0.0002954100000000 ] - [ 0.0001354200000000, -0.0009685500000000, -0.0007167500000000 ] - [ -0.0000359000000000, 0.0003655500000000, -0.0005546500000000 ] - [ 0.0005643400000000, 0.0004895600000000, -0.0007270300000000 ] - [ 0.0001465700000000, -0.0000800000000000, 0.0000026200000000 ] - [ -0.0007329900000000, 0.0002507600000000, -0.0054662800000000 ] - [ -0.0001180800000000, -0.0002932700000000, -0.0000010500000000 ] - [ 0.0000870000000000, 0.0000357500000000, -0.0001514100000000 ] - [ -0.0000192700000000, 0.0001572600000000, -0.0001076600000000 ] - [ 0.0007531300000000, -0.0009403400000000, 0.0459602000000000 ] - [ -0.0001557100000000, -0.0001359900000000, 0.0003177300000000 ] - [ 0.0000230100000000, -0.0001005000000000, -0.0002695600000000 ] - [ 0.0000348100000000, -0.0001438800000000, -0.0004541300000000 ] - [ -0.0001067600000000, 0.0008297200000000, -0.0007263100000000 ] - [ -0.0000340400000000, -0.0002118400000000, -0.0004735000000000 ] - [ -0.0004751000000000, -0.0005665900000000, -0.0006029800000000 ] - [ -0.0001165800000000, 0.0001159600000000, 0.0000224600000000 ] - [ -0.0005565600000000, -0.0001093700000000, 0.0018145200000000 ] - [ 0.0003173100000000, 0.0000940800000000, 0.0021121500000000 ] - [ 0.0001586000000000, 0.0001204500000000, -0.0003190600000000 ] - [ -0.0000081100000000, -0.0001502400000000, -0.0004217700000000 ] - [ -0.0000879400000000, -0.0002876200000000, -0.0002236700000000 ] - [ -0.0000310000000000, 0.0000003900000000, 0.0000820400000000 ] - [ 0.0000624100000000, 0.0003568700000000, -0.0000114800000000 ] - [ 0.0008093700000000, -0.0002836300000000, -0.0058628300000000 ] - [ 0.0002852800000000, 0.0002252300000000, 0.0009042200000000 ] - [ 0.0000581200000000, 0.0000934000000000, 0.0002017400000000 ] - [ -0.0000218200000000, 0.0000593600000000, -0.0003655400000000 ] - [ -0.0000328700000000, -0.0000196100000000, -0.0004460700000000 ]- atom: 113 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000274000000000, -0.0000058800000000, 0.0000335400000000 ] - [ -0.0015678300000000, 0.0001997200000000, 0.0006251100000000 ] - [ 0.0000862200000000, 0.0000559500000000, -0.0000639000000000 ] - [ 0.0000312300000000, -0.0000467800000000, 0.0000456000000000 ] - [ 0.0000563000000000, -0.0000311200000000, 0.0000019000000000 ] - [ -0.0010934600000000, 0.0002263800000000, -0.0004113500000000 ] - [ -0.0000030600000000, 0.0000234200000000, 0.0000766100000000 ] - [ 0.0000326300000000, -0.0000013100000000, -0.0000444900000000 ] - [ -0.0000304500000000, 0.0001014400000000, -0.0000578300000000 ] - [ 0.0040684200000000, -0.0028467400000000, -0.0033284600000000 ] - [ -0.0001681800000000, -0.0000431700000000, 0.0000356600000000 ] - [ 0.0001210300000000, -0.0001765800000000, -0.0000535000000000 ] - [ 0.0025068100000000, -0.0026414900000000, 0.0026975700000000 ] - [ -0.0002041200000000, 0.0000585000000000, 0.0000600700000000 ] - [ 0.0002428300000000, 0.0000220000000000, 0.0000016200000000 ] - [ 0.0000249100000000, -0.0000612700000000, 0.0000656200000000 ] - [ 0.0022756100000000, 0.0015437100000000, 0.0017650000000000 ] - [ -0.0001416100000000, 0.0000143700000000, -0.0000037500000000 ] - [ -0.0000019600000000, 0.0002417200000000, 0.0000721300000000 ] - [ -0.0000307700000000, -0.0000049100000000, -0.0000603700000000 ] - [ 0.0000198000000000, 0.0000959400000000, -0.0000383100000000 ] - [ 0.0017313500000000, 0.0006276700000000, -0.0007162500000000 ] - [ -0.0001100600000000, -0.0000317400000000, 0.0001029900000000 ] - [ -0.0002312100000000, 0.0001802200000000, -0.0001192400000000 ] - [ 0.0001557300000000, 0.0000823500000000, -0.0002086200000000 ] - [ -0.0004340200000000, 0.0005292900000000, 0.0003635400000000 ] - [ 0.0000475700000000, 0.0000159800000000, -0.0000461900000000 ] - [ -0.0003640500000000, -0.0001358500000000, -0.0000102400000000 ] - [ -0.0000529600000000, 0.0002100100000000, -0.0000334600000000 ] - [ 0.0105385600000000, -0.0029168800000000, 0.0000341500000000 ] - [ -0.0000133300000000, 0.0000604800000000, 0.0000631100000000 ] - [ -0.0001067500000000, -0.0001772300000000, 0.0000402500000000 ] - [ -0.0000565500000000, 0.0000748500000000, 0.0002497200000000 ] - [ 0.0000774700000000, 0.0008582600000000, 0.0010005300000000 ] - [ -0.0000321700000000, -0.0001417900000000, -0.0000466800000000 ] - [ 0.0004752200000000, -0.0003000400000000, 0.0001778000000000 ] - [ 0.0001557900000000, 0.0000532600000000, 0.0000522700000000 ] - [ -0.0001498400000000, 0.0005350700000000, -0.0004958500000000 ] - [ -0.0000932100000000, -0.0000339500000000, 0.0002205700000000 ] - [ -0.0003513500000000, -0.0000867700000000, -0.0002260400000000 ] - [ 0.0003256300000000, 0.0003971400000000, 0.0001998900000000 ] - [ -0.0001511200000000, 0.0000527100000000, -0.0000344400000000 ] - [ -0.0001068200000000, 0.0002366400000000, 0.0000419600000000 ] - [ 0.0001276300000000, -0.0000023900000000, 0.0000060900000000 ] - [ -0.0001690400000000, -0.0002933300000000, -0.0007613300000000 ] - [ 0.0005062500000000, 0.0003889200000000, 0.0002826400000000 ] - [ 0.0000203700000000, -0.0001202400000000, 0.0001518000000000 ] - [ -0.0000620300000000, 0.0000003300000000, -0.0002203700000000 ] - [ -0.0000408000000000, 0.0000460000000000, -0.0002892100000000 ] - [ 0.0000805200000000, 0.0000651800000000, 0.0008957500000000 ] - [ 0.0000442500000000, 0.0000367800000000, -0.0001439300000000 ] - [ -0.0010011100000000, 0.0011990200000000, -0.0012728600000000 ] - [ 0.0040588100000000, 0.0011556300000000, -0.0029176900000000 ] - [ 0.0001428700000000, 0.0002048900000000, 0.0001022200000000 ] - [ -0.0002380600000000, -0.0001463600000000, 0.0000583000000000 ] - [ 0.0000755600000000, -0.0000788000000000, -0.0003493400000000 ] - [ 0.0002034400000000, -0.0004549200000000, -0.0001470300000000 ] - [ -0.0004743800000000, 0.0001504200000000, -0.0006231800000000 ] - [ -0.0000444400000000, -0.0000189200000000, -0.0001535600000000 ] - [ 0.0000903600000000, 0.0000943000000000, 0.0001547100000000 ] - [ -0.0000383900000000, -0.0000651500000000, 0.0002186400000000 ] - [ 0.0003358800000000, -0.0001758600000000, 0.0001024200000000 ] - [ 0.0067326700000000, 0.0015727600000000, 0.0047450400000000 ] - [ -0.0001478000000000, -0.0002271500000000, 0.0002855900000000 ] - [ -0.0000771000000000, 0.0001778600000000, -0.0009234200000000 ] - [ -0.0000462100000000, -0.0001387600000000, -0.0003448700000000 ] - [ 0.0000479400000000, 0.0001149300000000, 0.0000313200000000 ] - [ -0.0010603900000000, 0.0012426500000000, -0.0003267500000000 ] - [ 0.0000053000000000, -0.0000298600000000, -0.0000292700000000 ] - [ -0.0000748500000000, -0.0000741900000000, -0.0000724100000000 ] - [ -0.0000324700000000, -0.0001984800000000, 0.0001048400000000 ] - [ 0.0026304700000000, 0.0035654900000000, -0.0003493800000000 ] - [ 0.0003038600000000, 0.0000657500000000, -0.0000087400000000 ] - [ 0.0001618700000000, -0.0007129000000000, 0.0005101500000000 ] - [ -0.0002249500000000, -0.0000431000000000, 0.0000677900000000 ] - [ 0.0005759500000000, -0.0011758300000000, 0.0006607900000000 ] - [ -0.0000150200000000, 0.0001393100000000, -0.0003508000000000 ] - [ 0.0095259300000000, 0.0041037000000000, 0.0008172100000000 ] - [ -0.0000100800000000, 0.0000109700000000, 0.0002715100000000 ] - [ 0.0001101300000000, -0.0000646600000000, -0.0002629500000000 ] - [ -0.0014890600000000, -0.0023977700000000, -0.0028989600000000 ] - [ 0.0001868300000000, -0.0001442100000000, 0.0002474800000000 ] - [ 0.0002734500000000, -0.0001120800000000, -0.0003865600000000 ] - [ -0.0000311000000000, 0.0000269200000000, 0.0001862300000000 ] - [ -0.0001601900000000, -0.0004727700000000, 0.0000785400000000 ] - [ 0.0027273400000000, -0.0001050300000000, 0.0024080400000000 ] - [ -0.0000983600000000, -0.0001652800000000, -0.0002530000000000 ] - [ -0.0002402400000000, 0.0001641500000000, 0.0002153200000000 ] - [ 0.0001424300000000, -0.0001530600000000, -0.0001412500000000 ] - [ -0.0009091300000000, -0.0030619300000000, 0.0027555800000000 ] - [ 0.0000425900000000, 0.0000013100000000, 0.0000707800000000 ] - [ 0.0003006800000000, -0.0000149600000000, 0.0001845400000000 ] - [ -0.0002164800000000, -0.0001211900000000, 0.0000557200000000 ] - [ 0.0050893400000000, -0.0000401600000000, -0.0048750500000000 ] - [ 0.0000278800000000, 0.0000702400000000, -0.0000095300000000 ] - [ 0.0001177300000000, 0.0003225800000000, 0.0003048900000000 ] - [ -0.0015303800000000, 0.0001714500000000, 0.0001747200000000 ] - [ 0.0003785800000000, 0.0002889700000000, -0.0000353000000000 ] - [ -0.0001054600000000, -0.0000602900000000, -0.0001017500000000 ] - [ 0.0002619500000000, 0.0002901300000000, 0.0001966100000000 ] - [ -0.0002881600000000, -0.0000336400000000, 0.0000329500000000 ] - [ 0.0019934700000000, 0.0006302800000000, 0.0000574000000000 ] - [ -0.0000980900000000, -0.0000655400000000, -0.0000179400000000 ] - [ 0.0003555000000000, 0.0002504200000000, 0.0001441300000000 ] - [ -0.0008528200000000, 0.0020434100000000, 0.0000198600000000 ] - [ 0.0000636000000000, -0.0000458000000000, -0.0000597200000000 ] - [ -0.0005075600000000, -0.0025383200000000, 0.0001413200000000 ] - [ 0.0002422200000000, -0.0001106500000000, 0.0000830200000000 ] - [ -0.0003554100000000, 0.0000859800000000, 0.0000908400000000 ] - [ 0.0005628100000000, -0.0001784400000000, -0.0000184800000000 ] - [ -0.0003483100000000, -0.0009033500000000, 0.0004913300000000 ] - [ 0.0001650200000000, -0.0000390400000000, -0.0001321600000000 ] - [ -0.0466865300000000, -0.0009513300000000, -0.0000068000000000 ] - [ 0.0001371500000000, 0.0000125200000000, 0.0000629500000000 ] - [ -0.0001914600000000, 0.0000242400000000, 0.0001026300000000 ] - [ 0.0002025700000000, -0.0000000800000000, -0.0000634400000000 ] - [ 0.0004275600000000, 0.0004097000000000, -0.0001174800000000 ] - [ -0.0017360300000000, 0.0000458900000000, -0.0001894900000000 ] - [ 0.0004038000000000, 0.0001796000000000, -0.0001912200000000 ] - [ -0.0003890900000000, -0.0000330200000000, 0.0000432700000000 ] - [ 0.0002508900000000, -0.0001343100000000, 0.0000430300000000 ] - [ -0.0002183100000000, -0.0002331100000000, 0.0000355900000000 ] - [ 0.0024296900000000, 0.0009184200000000, 0.0000977000000000 ] - [ -0.0000623500000000, -0.0000292400000000, -0.0000517100000000 ] - [ 0.0000965800000000, -0.0001100100000000, 0.0002101100000000 ] - [ -0.0003843900000000, -0.0007643900000000, -0.0006072500000000 ] - [ 0.0006884000000000, -0.0001111000000000, -0.0003334800000000 ] - [ -0.0001429500000000, 0.0000663500000000, 0.0000080000000000 ]- atom: 113 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002142300000000, 0.0000090200000000, 0.0000172200000000 ] - [ 0.0013134000000000, -0.0002018300000000, -0.0006679500000000 ] - [ 0.0001553000000000, -0.0000527300000000, 0.0000121100000000 ] - [ 0.0002105600000000, 0.0000429600000000, 0.0000064300000000 ] - [ -0.0001093600000000, -0.0000389600000000, -0.0000288900000000 ] - [ 0.0010353100000000, -0.0001536900000000, 0.0004313400000000 ] - [ 0.0000556600000000, -0.0000924800000000, -0.0000481300000000 ] - [ 0.0000199400000000, 0.0000706600000000, 0.0000166800000000 ] - [ 0.0001427600000000, -0.0001269000000000, 0.0000216800000000 ] - [ -0.0038846100000000, 0.0027830500000000, 0.0032475300000000 ] - [ 0.0000561000000000, 0.0000163000000000, 0.0000014900000000 ] - [ -0.0002344500000000, 0.0002041100000000, 0.0000161800000000 ] - [ -0.0027472000000000, 0.0027317000000000, -0.0025442300000000 ] - [ -0.0000930100000000, -0.0002080800000000, -0.0001256400000000 ] - [ 0.0000538500000000, 0.0001281000000000, -0.0000663400000000 ] - [ 0.0002726400000000, -0.0000883500000000, -0.0000002900000000 ] - [ -0.0022774600000000, -0.0015706400000000, -0.0018220600000000 ] - [ 0.0001536000000000, 0.0000037000000000, 0.0000475500000000 ] - [ -0.0000101700000000, -0.0002583700000000, -0.0000280400000000 ] - [ 0.0000183100000000, 0.0000222000000000, 0.0000167500000000 ] - [ 0.0001522200000000, -0.0000044000000000, -0.0001261400000000 ] - [ -0.0015690500000000, -0.0007077500000000, 0.0008778100000000 ] - [ -0.0000618000000000, 0.0001227400000000, 0.0000624700000000 ] - [ 0.0000586500000000, -0.0002705900000000, -0.0000466600000000 ] - [ -0.0001062000000000, 0.0000296200000000, 0.0002632300000000 ] - [ 0.0004860100000000, -0.0006442900000000, -0.0004194000000000 ] - [ -0.0000970400000000, 0.0000964400000000, -0.0000080900000000 ] - [ 0.0003157300000000, 0.0000257400000000, 0.0000662000000000 ] - [ 0.0000070200000000, 0.0002014600000000, 0.0000398700000000 ] - [ -0.0110052900000000, 0.0026892000000000, -0.0000304800000000 ] - [ 0.0000594900000000, 0.0003517900000000, -0.0000687200000000 ] - [ 0.0001523600000000, -0.0002340200000000, -0.0000348300000000 ] - [ -0.0001016700000000, -0.0000923200000000, -0.0000739900000000 ] - [ -0.0002300100000000, -0.0008449600000000, -0.0011780000000000 ] - [ 0.0001903700000000, 0.0001239900000000, -0.0001291300000000 ] - [ -0.0003143900000000, 0.0003209000000000, -0.0000025200000000 ] - [ 0.0001247500000000, 0.0000617600000000, -0.0003847600000000 ] - [ 0.0004304300000000, -0.0006557600000000, 0.0008318200000000 ] - [ -0.0001878300000000, 0.0001501000000000, 0.0001120100000000 ] - [ 0.0000703400000000, -0.0000271500000000, -0.0001082100000000 ] - [ -0.0006065300000000, -0.0004918600000000, -0.0002016700000000 ] - [ -0.0001246800000000, 0.0000394100000000, 0.0000354800000000 ] - [ 0.0003824600000000, -0.0003264900000000, -0.0000418400000000 ] - [ 0.0001480700000000, 0.0000944400000000, -0.0000064000000000 ] - [ 0.0001551300000000, 0.0002158500000000, 0.0003587400000000 ] - [ -0.0005227400000000, -0.0003141400000000, 0.0001178100000000 ] - [ -0.0000067200000000, 0.0000428100000000, 0.0002494100000000 ] - [ 0.0000757800000000, 0.0000772400000000, -0.0001794800000000 ] - [ -0.0000871300000000, 0.0000067100000000, -0.0000220800000000 ] - [ -0.0002076100000000, -0.0001180600000000, -0.0005794000000000 ] - [ 0.0000833300000000, 0.0000162200000000, 0.0004546800000000 ] - [ 0.0011258900000000, -0.0012558400000000, 0.0009665300000000 ] - [ -0.0040166700000000, -0.0013360200000000, 0.0030139900000000 ] - [ 0.0000140700000000, -0.0000890300000000, -0.0000742600000000 ] - [ 0.0000811500000000, 0.0000292000000000, -0.0000306500000000 ] - [ -0.0002325000000000, 0.0001954400000000, 0.0003250000000000 ] - [ -0.0003214600000000, 0.0002425900000000, 0.0004935300000000 ] - [ 0.0003683800000000, 0.0000659000000000, 0.0002897800000000 ] - [ 0.0001567200000000, -0.0001993300000000, -0.0001871300000000 ] - [ 0.0000230300000000, 0.0001238100000000, 0.0001846500000000 ] - [ 0.0002417200000000, 0.0001842400000000, 0.0000044300000000 ] - [ -0.0001321600000000, 0.0000561100000000, -0.0003261700000000 ] - [ -0.0070641500000000, -0.0015289800000000, -0.0051337600000000 ] - [ -0.0000550700000000, 0.0001061200000000, -0.0000610500000000 ] - [ 0.0001364300000000, -0.0003306100000000, 0.0005190900000000 ] - [ 0.0001068700000000, 0.0002938100000000, 0.0007508300000000 ] - [ -0.0001083600000000, -0.0002669200000000, 0.0003733000000000 ] - [ 0.0009936000000000, -0.0010951500000000, -0.0000775300000000 ] - [ -0.0000720500000000, -0.0000076400000000, -0.0001974600000000 ] - [ 0.0000082500000000, 0.0001120800000000, 0.0002984900000000 ] - [ 0.0000989600000000, 0.0001598300000000, 0.0001211100000000 ] - [ -0.0025631100000000, -0.0035660200000000, 0.0001340700000000 ] - [ 0.0000186800000000, 0.0000162700000000, -0.0000399900000000 ] - [ 0.0001620000000000, 0.0006274100000000, -0.0004562200000000 ] - [ -0.0000980000000000, 0.0001264900000000, -0.0000182200000000 ] - [ -0.0009002400000000, 0.0010981400000000, -0.0007132700000000 ] - [ -0.0000406300000000, -0.0000052000000000, -0.0001896600000000 ] - [ -0.0091511500000000, -0.0040199600000000, -0.0002368800000000 ] - [ 0.0000656900000000, 0.0001230900000000, 0.0002689800000000 ] - [ -0.0000543900000000, -0.0000691600000000, -0.0002772600000000 ] - [ 0.0016530100000000, 0.0025923400000000, 0.0033422200000000 ] - [ -0.0000478500000000, -0.0000355700000000, -0.0006686400000000 ] - [ -0.0004112000000000, 0.0002878500000000, -0.0000348200000000 ] - [ -0.0001066000000000, -0.0002043100000000, 0.0002334800000000 ] - [ 0.0004902900000000, 0.0003179900000000, 0.0002356500000000 ] - [ -0.0024001500000000, 0.0002420900000000, -0.0026993500000000 ] - [ -0.0002288300000000, 0.0000072000000000, -0.0000629800000000 ] - [ -0.0000864900000000, -0.0000057500000000, 0.0001004600000000 ] - [ -0.0000875700000000, -0.0001103000000000, -0.0000156300000000 ] - [ 0.0009894100000000, 0.0033420100000000, -0.0026220200000000 ] - [ -0.0000978300000000, -0.0002647300000000, 0.0000843000000000 ] - [ -0.0003536900000000, 0.0002769400000000, -0.0003377700000000 ] - [ 0.0002003500000000, 0.0001543200000000, -0.0000762400000000 ] - [ -0.0050519300000000, -0.0000086200000000, 0.0048305200000000 ] - [ -0.0000117000000000, -0.0000367300000000, 0.0000296200000000 ] - [ -0.0001001800000000, -0.0003563200000000, -0.0003267200000000 ] - [ 0.0015505700000000, -0.0002533900000000, -0.0000446700000000 ] - [ -0.0003592500000000, -0.0002010000000000, -0.0001038400000000 ] - [ 0.0000854300000000, -0.0000264300000000, -0.0000389500000000 ] - [ -0.0002824800000000, -0.0002031400000000, -0.0000571300000000 ] - [ 0.0001650300000000, -0.0000713900000000, 0.0000025900000000 ] - [ -0.0021079100000000, -0.0005201500000000, -0.0000874400000000 ] - [ 0.0002210900000000, -0.0000403900000000, -0.0000178500000000 ] - [ -0.0002330000000000, -0.0001432300000000, -0.0001068000000000 ] - [ 0.0006251200000000, -0.0019229900000000, 0.0001264400000000 ] - [ -0.0002773200000000, -0.0000745100000000, -0.0000853700000000 ] - [ 0.0007172100000000, 0.0026523900000000, -0.0002866700000000 ] - [ -0.0000287600000000, -0.0000092600000000, 0.0000610000000000 ] - [ 0.0002661000000000, -0.0001358000000000, -0.0000838800000000 ] - [ -0.0006448500000000, 0.0002254800000000, 0.0000113000000000 ] - [ 0.0004358600000000, 0.0008556500000000, -0.0004948600000000 ] - [ -0.0000790200000000, 0.0000881000000000, 0.0001378000000000 ] - [ 0.0467228200000000, 0.0009088600000000, -0.0000900400000000 ] - [ -0.0001745900000000, -0.0000326600000000, 0.0000659300000000 ] - [ 0.0002287700000000, -0.0000037700000000, 0.0000264000000000 ] - [ -0.0001653400000000, -0.0000199600000000, -0.0000661600000000 ] - [ -0.0005358600000000, -0.0001631400000000, 0.0001499100000000 ] - [ 0.0016256500000000, -0.0002859400000000, 0.0001698600000000 ] - [ -0.0002950700000000, 0.0000652200000000, 0.0001564500000000 ] - [ 0.0004994400000000, -0.0002115200000000, -0.0000079300000000 ] - [ -0.0003453500000000, 0.0003108800000000, -0.0000997000000000 ] - [ 0.0001238700000000, 0.0000575100000000, 0.0000209600000000 ] - [ -0.0023578800000000, -0.0007591600000000, -0.0000375700000000 ] - [ 0.0001570600000000, -0.0001469900000000, -0.0000054300000000 ] - [ -0.0000586600000000, 0.0001341200000000, -0.0000306800000000 ] - [ 0.0004256600000000, 0.0007428300000000, 0.0004264100000000 ] - [ -0.0007256700000000, 0.0001319400000000, 0.0001536800000000 ] - [ 0.0001004100000000, -0.0000916200000000, 0.0001687900000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000289400000000, 0.0001487100000000, 0.0003005300000000 ] - [ -0.0002033700000000, 0.0008400700000000, 0.0003864800000000 ] - [ 0.0002693100000000, -0.0001125400000000, 0.0000718100000000 ] - [ -0.0000710200000000, -0.0005221700000000, -0.0000413500000000 ] - [ -0.0000837700000000, 0.0001669500000000, -0.0004012300000000 ] - [ -0.0000724000000000, 0.0005758700000000, -0.0001240100000000 ] - [ 0.0000198900000000, -0.0001568800000000, -0.0000463500000000 ] - [ 0.0000082200000000, -0.0003278900000000, -0.0000248500000000 ] - [ 0.0000134400000000, 0.0001176200000000, 0.0000661200000000 ] - [ -0.0020857700000000, 0.0058355200000000, 0.0039936900000000 ] - [ -0.0000541800000000, -0.0001488200000000, 0.0001407300000000 ] - [ 0.0000605800000000, -0.0008494600000000, -0.0001950300000000 ] - [ -0.0023559200000000, 0.0053081300000000, -0.0037715800000000 ] - [ -0.0000202500000000, 0.0000275800000000, -0.0001471500000000 ] - [ 0.0001137100000000, -0.0004943300000000, 0.0000751800000000 ] - [ 0.0002179000000000, -0.0001445600000000, -0.0000514400000000 ] - [ 0.0023091100000000, 0.0105487500000000, 0.0086687700000000 ] - [ 0.0000372700000000, 0.0002537500000000, 0.0000624100000000 ] - [ 0.0001303000000000, -0.0003234500000000, -0.0001598900000000 ] - [ 0.0000170300000000, -0.0001974300000000, 0.0000399000000000 ] - [ 0.0000610700000000, 0.0002175500000000, -0.0000594300000000 ] - [ 0.0008759800000000, 0.0023900600000000, -0.0011742100000000 ] - [ -0.0000939700000000, -0.0001778100000000, 0.0000966700000000 ] - [ 0.0000037300000000, -0.0003724300000000, -0.0000059700000000 ] - [ -0.0000529900000000, 0.0002210100000000, 0.0001919500000000 ] - [ -0.0000007700000000, -0.0000176900000000, -0.0003272200000000 ] - [ -0.0000519600000000, -0.0001514700000000, 0.0000940600000000 ] - [ -0.0001403300000000, -0.0002112600000000, -0.0000853500000000 ] - [ -0.0000177100000000, 0.0003407400000000, 0.0000337600000000 ] - [ -0.0033873400000000, 0.0022489500000000, 0.0001011400000000 ] - [ -0.0000003000000000, 0.0000250000000000, 0.0000556300000000 ] - [ 0.0001087500000000, -0.0005243400000000, 0.0000130700000000 ] - [ -0.0001071700000000, 0.0001468300000000, 0.0001830100000000 ] - [ -0.0003037200000000, -0.0001046600000000, -0.0003921500000000 ] - [ 0.0000907600000000, -0.0000193600000000, -0.0000199400000000 ] - [ -0.0000174300000000, -0.0002223200000000, -0.0005023800000000 ] - [ 0.0001237600000000, 0.0001896700000000, -0.0003123500000000 ] - [ 0.0007799100000000, -0.0004100700000000, 0.0004353400000000 ] - [ -0.0001011400000000, -0.0002321700000000, 0.0001261200000000 ] - [ -0.0002420700000000, -0.0002020300000000, -0.0002023200000000 ] - [ 0.0003825700000000, -0.0007605100000000, 0.0001920700000000 ] - [ -0.0001221200000000, 0.0001665600000000, 0.0000587300000000 ] - [ 0.0002256400000000, -0.0002600300000000, -0.0000854800000000 ] - [ 0.0001396600000000, -0.0000560100000000, 0.0000197200000000 ] - [ 0.0000628700000000, 0.0007615900000000, 0.0000828900000000 ] - [ 0.0008310600000000, 0.0009269200000000, -0.0002919200000000 ] - [ -0.0000550900000000, -0.0003776000000000, 0.0002274800000000 ] - [ 0.0000804400000000, -0.0002311300000000, -0.0002568600000000 ] - [ 0.0001169000000000, -0.0001146800000000, -0.0004693700000000 ] - [ -0.0002632900000000, -0.0001181400000000, 0.0002586300000000 ] - [ 0.0001774400000000, 0.0001178700000000, 0.0000017800000000 ] - [ -0.0021035800000000, 0.0018702400000000, -0.0012304400000000 ] - [ 0.0017482900000000, 0.0007696300000000, -0.0016764000000000 ] - [ -0.0000077200000000, -0.0000274800000000, -0.0001944600000000 ] - [ -0.0000140600000000, -0.0001277000000000, -0.0000329700000000 ] - [ -0.0001160100000000, 0.0000480800000000, -0.0001889300000000 ] - [ 0.0002856000000000, -0.0005234800000000, -0.0007101300000000 ] - [ 0.0004360800000000, 0.0003647500000000, 0.0004249600000000 ] - [ -0.0000148800000000, -0.0002465400000000, -0.0003057300000000 ] - [ 0.0000039800000000, -0.0002316300000000, 0.0003948100000000 ] - [ 0.0001819800000000, -0.0000086500000000, -0.0000295500000000 ] - [ 0.0000701400000000, -0.0000444800000000, -0.0000196600000000 ] - [ 0.0017419700000000, 0.0004323000000000, 0.0012339600000000 ] - [ -0.0001636000000000, -0.0000849200000000, 0.0001762300000000 ] - [ 0.0000473500000000, -0.0000995800000000, -0.0005417900000000 ] - [ 0.0000562200000000, 0.0001632000000000, 0.0004164600000000 ] - [ -0.0000281500000000, -0.0000157000000000, 0.0001303800000000 ] - [ -0.0000677700000000, 0.0012027900000000, 0.0010280000000000 ] - [ -0.0000951600000000, 0.0001134800000000, 0.0000590800000000 ] - [ 0.0000413000000000, -0.0000630200000000, 0.0002753900000000 ] - [ 0.0000253000000000, -0.0000419500000000, 0.0002451500000000 ] - [ 0.0041109000000000, 0.0063517300000000, -0.0016777100000000 ] - [ 0.0002455000000000, 0.0002917500000000, 0.0001803000000000 ] - [ -0.0000307700000000, 0.0007353500000000, 0.0001214400000000 ] - [ -0.0001711800000000, -0.0001343700000000, 0.0000709500000000 ] - [ 0.0005827000000000, -0.0016540800000000, 0.0005867100000000 ] - [ 0.0000168900000000, 0.0002218400000000, -0.0002711800000000 ] - [ 0.0041932600000000, 0.0039314500000000, 0.0012453000000000 ] - [ 0.0000427800000000, -0.0000501700000000, 0.0003468700000000 ] - [ -0.0000233300000000, -0.0004868000000000, -0.0003178200000000 ] - [ -0.0029888300000000, 0.0019106000000000, 0.0023219700000000 ] - [ 0.0000661000000000, -0.0005988700000000, -0.0005578200000000 ] - [ -0.0000927200000000, 0.0004696100000000, 0.0000199400000000 ] - [ 0.0000399600000000, 0.0003092000000000, -0.0000126900000000 ] - [ -0.0002693500000000, -0.0003212400000000, 0.0007446400000000 ] - [ -0.0016537600000000, -0.0020493200000000, -0.0000583700000000 ] - [ -0.0002020800000000, 0.0001343800000000, -0.0000076200000000 ] - [ -0.0002546500000000, 0.0006309500000000, 0.0001418700000000 ] - [ -0.0000971300000000, -0.0003164900000000, -0.0000662200000000 ] - [ -0.0034105400000000, 0.0026837100000000, -0.0001958400000000 ] - [ -0.0000394300000000, 0.0000975200000000, 0.0000468300000000 ] - [ 0.0000017700000000, 0.0004689100000000, 0.0001336300000000 ] - [ -0.0002406200000000, -0.0001032900000000, -0.0000857300000000 ] - [ -0.0011569300000000, -0.0040981200000000, -0.0020504800000000 ] - [ -0.0000599600000000, 0.0001854800000000, -0.0000310700000000 ] - [ 0.0000781400000000, 0.0010451100000000, 0.0004919200000000 ] - [ 0.0001449100000000, -0.0019889800000000, 0.0003643900000000 ] - [ -0.0002698200000000, -0.0001687500000000, 0.0001215000000000 ] - [ 0.0000511200000000, 0.0002126200000000, -0.0001063600000000 ] - [ 0.0000227900000000, 0.0003115400000000, 0.0002486900000000 ] - [ -0.0000564100000000, -0.0003259600000000, 0.0000344600000000 ] - [ -0.0005081300000000, 0.0001432700000000, 0.0000566100000000 ] - [ 0.0000985500000000, 0.0000749800000000, -0.0000527700000000 ] - [ 0.0002013100000000, 0.0007713300000000, 0.0003497600000000 ] - [ 0.0024694100000000, 0.0040693600000000, 0.0000912000000000 ] - [ -0.0000783300000000, -0.0001497900000000, -0.0000982500000000 ] - [ -0.0014983500000000, 0.0037985500000000, -0.0000805300000000 ] - [ 0.0000753200000000, 0.0000290200000000, 0.0000812100000000 ] - [ 0.0006554500000000, 0.0005208700000000, -0.0008187400000000 ] - [ 0.0001742100000000, -0.0001406000000000, 0.0002005600000000 ] - [ -0.0000437200000000, 0.0002278500000000, -0.0005801200000000 ] - [ -0.0001443600000000, 0.0004318600000000, 0.0001294700000000 ] - [ -0.0009481700000000, -0.0445669400000000, -0.0074472200000000 ] - [ -0.0000408000000000, -0.0000946500000000, 0.0000737200000000 ] - [ 0.0000043900000000, 0.0004217400000000, 0.0001386100000000 ] - [ 0.0000280600000000, 0.0001121100000000, -0.0001073700000000 ] - [ -0.0001152300000000, -0.0001285100000000, -0.0003361500000000 ] - [ 0.0001353700000000, -0.0021458800000000, -0.0003714000000000 ] - [ 0.0004106000000000, 0.0003702700000000, -0.0003517300000000 ] - [ -0.0002437100000000, 0.0002171400000000, 0.0000024700000000 ] - [ -0.0004255700000000, 0.0008095000000000, 0.0000900800000000 ] - [ -0.0000353700000000, -0.0000472700000000, -0.0000065200000000 ] - [ 0.0009595400000000, -0.0008052100000000, 0.0002249900000000 ] - [ 0.0001588300000000, -0.0000179400000000, -0.0000085500000000 ] - [ -0.0000092600000000, 0.0003596100000000, -0.0001979000000000 ] - [ 0.0000219600000000, 0.0005226100000000, 0.0003935400000000 ] - [ 0.0000166600000000, -0.0003266500000000, -0.0003907300000000 ] - [ 0.0006926100000000, 0.0006642800000000, 0.0009490600000000 ]- atom: 113 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002704200000000, -0.0001453100000000, -0.0002484900000000 ] - [ -0.0000377000000000, -0.0008445600000000, -0.0004376800000000 ] - [ -0.0000270700000000, 0.0001155600000000, -0.0001234900000000 ] - [ 0.0003128200000000, 0.0005163800000000, 0.0000929000000000 ] - [ 0.0000302700000000, -0.0002362200000000, 0.0003716900000000 ] - [ 0.0000214000000000, -0.0005063800000000, 0.0001515500000000 ] - [ 0.0000327900000000, 0.0000871100000000, 0.0000744300000000 ] - [ 0.0000445100000000, 0.0003961900000000, -0.0000023300000000 ] - [ 0.0000992800000000, -0.0001431900000000, -0.0001026700000000 ] - [ 0.0022865400000000, -0.0058768100000000, -0.0040656200000000 ] - [ -0.0000587100000000, 0.0001227300000000, -0.0001039500000000 ] - [ -0.0001737500000000, 0.0008725200000000, 0.0001577100000000 ] - [ 0.0021319600000000, -0.0052148300000000, 0.0039336800000000 ] - [ -0.0002751000000000, -0.0001775500000000, 0.0000802900000000 ] - [ 0.0001826600000000, 0.0006408900000000, -0.0001386300000000 ] - [ 0.0000789400000000, -0.0000053600000000, 0.0001165700000000 ] - [ -0.0022486200000000, -0.0103158700000000, -0.0084002700000000 ] - [ -0.0000248400000000, -0.0002356600000000, -0.0000188400000000 ] - [ -0.0001434000000000, 0.0003064900000000, 0.0002051700000000 ] - [ -0.0000293900000000, 0.0002138800000000, -0.0000836500000000 ] - [ 0.0001107700000000, -0.0001260100000000, -0.0001061000000000 ] - [ -0.0007045400000000, -0.0023634100000000, 0.0012301300000000 ] - [ -0.0000779500000000, 0.0002676400000000, 0.0000681400000000 ] - [ -0.0001773300000000, 0.0002815200000000, -0.0001609000000000 ] - [ 0.0001021300000000, -0.0001083400000000, -0.0001375900000000 ] - [ 0.0000493200000000, -0.0000923600000000, 0.0002740700000000 ] - [ 0.0000023400000000, 0.0002631300000000, -0.0001481300000000 ] - [ 0.0000914800000000, 0.0000990700000000, 0.0001402900000000 ] - [ -0.0000281600000000, 0.0000707300000000, -0.0000281800000000 ] - [ 0.0032663200000000, -0.0026394500000000, -0.0001051800000000 ] - [ 0.0000459300000000, 0.0003858900000000, -0.0000612600000000 ] - [ -0.0000631900000000, 0.0001120900000000, -0.0000073100000000 ] - [ -0.0000510400000000, -0.0001630100000000, -0.0000068500000000 ] - [ 0.0001453100000000, 0.0001153800000000, 0.0002096200000000 ] - [ 0.0000674400000000, 0.0000019400000000, -0.0001565400000000 ] - [ 0.0001776500000000, 0.0002407700000000, 0.0006859600000000 ] - [ 0.0001566600000000, -0.0000744900000000, -0.0000204700000000 ] - [ -0.0004967500000000, 0.0002954000000000, -0.0001043100000000 ] - [ -0.0001799300000000, 0.0003468400000000, 0.0002058700000000 ] - [ -0.0000394400000000, 0.0000861700000000, -0.0001310000000000 ] - [ -0.0006547300000000, 0.0006690300000000, -0.0001888500000000 ] - [ -0.0001535000000000, -0.0000743100000000, -0.0000586300000000 ] - [ 0.0000484000000000, 0.0001679600000000, 0.0000857000000000 ] - [ 0.0001359000000000, 0.0001472900000000, -0.0000201900000000 ] - [ -0.0000780800000000, -0.0008400700000000, -0.0004856400000000 ] - [ -0.0008391200000000, -0.0008493800000000, 0.0006836000000000 ] - [ 0.0000685500000000, 0.0002988200000000, 0.0001743100000000 ] - [ -0.0000670700000000, 0.0003083300000000, -0.0001431700000000 ] - [ -0.0002435800000000, 0.0001667000000000, 0.0001574100000000 ] - [ 0.0001333100000000, 0.0000657600000000, 0.0000528100000000 ] - [ -0.0000499200000000, -0.0000648600000000, 0.0003097900000000 ] - [ 0.0022171000000000, -0.0019417600000000, 0.0009209900000000 ] - [ -0.0016165000000000, -0.0008870000000000, 0.0016677600000000 ] - [ 0.0001635200000000, 0.0001426400000000, 0.0002218200000000 ] - [ -0.0001429400000000, 0.0000120200000000, 0.0000605200000000 ] - [ -0.0000404800000000, 0.0000672900000000, 0.0001604900000000 ] - [ -0.0004009000000000, 0.0003089500000000, 0.0010502800000000 ] - [ -0.0005472800000000, -0.0001473100000000, -0.0007625900000000 ] - [ 0.0001274200000000, 0.0000280100000000, -0.0000349400000000 ] - [ 0.0001093500000000, 0.0004486000000000, -0.0000544300000000 ] - [ 0.0000211900000000, 0.0001285500000000, 0.0002520700000000 ] - [ 0.0001332200000000, -0.0000751700000000, -0.0002028500000000 ] - [ -0.0019684300000000, -0.0003164700000000, -0.0014859400000000 ] - [ -0.0000392300000000, -0.0000346900000000, 0.0000470700000000 ] - [ 0.0000121400000000, -0.0000526900000000, 0.0001341900000000 ] - [ 0.0000036600000000, -0.0000082200000000, -0.0000077600000000 ] - [ -0.0000330000000000, -0.0001374300000000, 0.0002749600000000 ] - [ -0.0000068100000000, -0.0010512100000000, -0.0014461200000000 ] - [ 0.0000283700000000, -0.0001517200000000, -0.0002842300000000 ] - [ -0.0001084300000000, 0.0000998500000000, -0.0000489000000000 ] - [ 0.0000419900000000, 0.0000038100000000, -0.0000195100000000 ] - [ -0.0041753900000000, -0.0065845600000000, 0.0015584700000000 ] - [ 0.0000777500000000, -0.0002076800000000, -0.0002287600000000 ] - [ 0.0003524000000000, -0.0008199600000000, -0.0000724600000000 ] - [ -0.0001519000000000, 0.0002175000000000, -0.0000211400000000 ] - [ -0.0009034700000000, 0.0015736900000000, -0.0006372200000000 ] - [ -0.0000721700000000, -0.0000877100000000, -0.0002696700000000 ] - [ -0.0041798800000000, -0.0040426700000000, -0.0006913100000000 ] - [ 0.0000126500000000, 0.0001839600000000, 0.0001935500000000 ] - [ 0.0000796400000000, 0.0003529000000000, -0.0002220600000000 ] - [ 0.0031045600000000, -0.0017246600000000, -0.0018953900000000 ] - [ 0.0000713100000000, 0.0004193600000000, 0.0001386800000000 ] - [ -0.0000440300000000, -0.0002916800000000, -0.0004398600000000 ] - [ -0.0001776000000000, -0.0004856300000000, 0.0004316400000000 ] - [ 0.0005986000000000, 0.0001643700000000, -0.0004230400000000 ] - [ 0.0019799000000000, 0.0022047500000000, -0.0002601900000000 ] - [ -0.0001252800000000, -0.0002923300000000, -0.0003085300000000 ] - [ -0.0000730900000000, -0.0004709500000000, 0.0001728400000000 ] - [ 0.0001518800000000, 0.0000542200000000, -0.0000885600000000 ] - [ 0.0034342900000000, -0.0024043100000000, 0.0003381300000000 ] - [ -0.0000153800000000, -0.0003598300000000, 0.0001093400000000 ] - [ -0.0000544800000000, -0.0002062200000000, -0.0002880200000000 ] - [ 0.0002247500000000, 0.0001368700000000, 0.0000647400000000 ] - [ 0.0011257300000000, 0.0040664100000000, 0.0020822300000000 ] - [ 0.0000759500000000, -0.0001525000000000, 0.0000526900000000 ] - [ -0.0000616200000000, -0.0010748500000000, -0.0005134000000000 ] - [ -0.0001236900000000, 0.0018966000000000, -0.0002337200000000 ] - [ 0.0002871300000000, 0.0002564600000000, -0.0002626400000000 ] - [ -0.0000705500000000, -0.0002990200000000, -0.0000348400000000 ] - [ -0.0000424400000000, -0.0002220400000000, -0.0001083900000000 ] - [ -0.0000668400000000, 0.0002194600000000, 0.0000019600000000 ] - [ 0.0003840900000000, -0.0000368300000000, -0.0000898900000000 ] - [ 0.0000246200000000, -0.0001805400000000, 0.0000172600000000 ] - [ -0.0000779000000000, -0.0006643000000000, -0.0003111400000000 ] - [ -0.0026481900000000, -0.0038950600000000, 0.0000507100000000 ] - [ -0.0001353100000000, 0.0000289800000000, -0.0000461500000000 ] - [ 0.0017358800000000, -0.0037270000000000, -0.0000605000000000 ] - [ 0.0001380400000000, -0.0001481600000000, 0.0000636200000000 ] - [ -0.0007393400000000, -0.0005683400000000, 0.0008206000000000 ] - [ -0.0002557100000000, 0.0001886600000000, -0.0002030500000000 ] - [ 0.0001292800000000, -0.0002754100000000, 0.0005748400000000 ] - [ 0.0002268700000000, -0.0003814000000000, -0.0001246400000000 ] - [ 0.0009094200000000, 0.0445681700000000, 0.0070110500000000 ] - [ 0.0000026400000000, 0.0000742600000000, 0.0000565000000000 ] - [ 0.0000340100000000, -0.0004007700000000, -0.0000094200000000 ] - [ 0.0000098100000000, -0.0001317200000000, -0.0000218300000000 ] - [ 0.0000056700000000, 0.0003719600000000, 0.0003706500000000 ] - [ -0.0002445400000000, 0.0018954900000000, 0.0003493900000000 ] - [ -0.0003011700000000, -0.0001246300000000, 0.0003159200000000 ] - [ 0.0003543300000000, -0.0004615100000000, 0.0000331200000000 ] - [ 0.0003283600000000, -0.0006313700000000, -0.0001462500000000 ] - [ -0.0000599600000000, -0.0001288800000000, 0.0000636600000000 ] - [ -0.0008627300000000, 0.0009808600000000, -0.0001685800000000 ] - [ -0.0000631200000000, -0.0001577100000000, -0.0000478300000000 ] - [ 0.0000460900000000, -0.0003351000000000, 0.0003772500000000 ] - [ 0.0000170600000000, -0.0005432800000000, -0.0005733800000000 ] - [ -0.0000527400000000, 0.0003462300000000, 0.0002082400000000 ] - [ -0.0007275100000000, -0.0006833800000000, -0.0007638000000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002013700000000, 0.0001309600000000, -0.0005190600000000 ] - [ 0.0002901600000000, 0.0004305200000000, 0.0004076700000000 ] - [ 0.0000039300000000, 0.0001067500000000, -0.0001880900000000 ] - [ 0.0001598100000000, 0.0000950900000000, 0.0001884900000000 ] - [ -0.0000319200000000, -0.0002212200000000, -0.0005286800000000 ] - [ -0.0002126700000000, -0.0002048800000000, 0.0001471000000000 ] - [ 0.0000115300000000, -0.0001216900000000, -0.0001600300000000 ] - [ -0.0000046400000000, -0.0000157500000000, 0.0001397300000000 ] - [ -0.0000070900000000, 0.0001084900000000, -0.0002604700000000 ] - [ -0.0025305600000000, 0.0043297000000000, 0.0061952100000000 ] - [ -0.0000542000000000, 0.0001970800000000, -0.0002011800000000 ] - [ -0.0001011200000000, -0.0001853000000000, 0.0002331200000000 ] - [ 0.0028903600000000, -0.0044544300000000, 0.0060774800000000 ] - [ -0.0000418600000000, -0.0001715600000000, -0.0002691300000000 ] - [ 0.0002158400000000, 0.0002744900000000, 0.0000862200000000 ] - [ 0.0001953400000000, -0.0001872400000000, -0.0001979200000000 ] - [ 0.0022832900000000, 0.0083657900000000, 0.0092617200000000 ] - [ -0.0000128500000000, -0.0000803800000000, -0.0002867200000000 ] - [ 0.0001036600000000, -0.0001453800000000, 0.0002143900000000 ] - [ -0.0000367900000000, 0.0000186800000000, -0.0001982800000000 ] - [ 0.0000359600000000, 0.0000806000000000, -0.0003553400000000 ] - [ -0.0011054700000000, -0.0007666000000000, 0.0033206400000000 ] - [ -0.0000826600000000, 0.0000237900000000, -0.0000721400000000 ] - [ -0.0001447000000000, 0.0001392300000000, 0.0001403800000000 ] - [ -0.0000490800000000, 0.0001624700000000, -0.0005371400000000 ] - [ -0.0001962900000000, 0.0001782100000000, 0.0004276000000000 ] - [ -0.0000063200000000, 0.0001374900000000, -0.0002730600000000 ] - [ -0.0002633500000000, -0.0001752100000000, 0.0003044300000000 ] - [ -0.0000102900000000, 0.0001374500000000, -0.0003843500000000 ] - [ -0.0009127200000000, 0.0005462500000000, 0.0016259100000000 ] - [ 0.0000238500000000, 0.0003096000000000, -0.0002615300000000 ] - [ 0.0000636100000000, -0.0003281700000000, 0.0003244600000000 ] - [ 0.0000225100000000, 0.0002160300000000, -0.0002875000000000 ] - [ -0.0001846600000000, -0.0003424200000000, -0.0000883900000000 ] - [ 0.0000911400000000, 0.0000112100000000, -0.0002043400000000 ] - [ -0.0000211000000000, -0.0003035700000000, 0.0005297400000000 ] - [ 0.0004413200000000, 0.0000484400000000, -0.0007528900000000 ] - [ -0.0000547600000000, -0.0000699900000000, 0.0006623600000000 ] - [ -0.0000720100000000, -0.0000615900000000, -0.0000732400000000 ] - [ 0.0001812200000000, 0.0000403600000000, 0.0001958200000000 ] - [ -0.0000400700000000, -0.0004242300000000, 0.0016226600000000 ] - [ -0.0001339400000000, 0.0000646500000000, -0.0004347100000000 ] - [ 0.0000604300000000, -0.0000142600000000, 0.0005122400000000 ] - [ 0.0001429600000000, 0.0000050300000000, -0.0001910100000000 ] - [ -0.0003511100000000, -0.0003684400000000, -0.0008269700000000 ] - [ 0.0004956200000000, 0.0000149600000000, -0.0002644300000000 ] - [ -0.0000278200000000, -0.0001059900000000, 0.0001277100000000 ] - [ 0.0000152500000000, -0.0001075100000000, -0.0002381400000000 ] - [ -0.0002978500000000, 0.0001980200000000, -0.0004247400000000 ] - [ -0.0002144400000000, -0.0004310100000000, -0.0000739100000000 ] - [ 0.0000734200000000, -0.0000197700000000, 0.0002165900000000 ] - [ 0.0004162700000000, 0.0000861900000000, 0.0004387500000000 ] - [ -0.0035446100000000, -0.0013906600000000, 0.0055190200000000 ] - [ 0.0000360700000000, 0.0001854400000000, -0.0000286500000000 ] - [ -0.0000698600000000, -0.0000575900000000, 0.0000451700000000 ] - [ -0.0000585700000000, -0.0000418600000000, -0.0004507500000000 ] - [ 0.0002440100000000, -0.0005638100000000, -0.0002384800000000 ] - [ -0.0003557500000000, 0.0000086600000000, -0.0008723000000000 ] - [ -0.0000075100000000, -0.0003284200000000, -0.0001923400000000 ] - [ 0.0000601400000000, 0.0002984100000000, 0.0000067400000000 ] - [ 0.0001180400000000, 0.0001131300000000, 0.0001807800000000 ] - [ 0.0001794300000000, 0.0000691900000000, -0.0004063900000000 ] - [ 0.0046651500000000, 0.0013184100000000, 0.0043583100000000 ] - [ 0.0000097500000000, 0.0000897800000000, 0.0000049700000000 ] - [ 0.0001189300000000, -0.0002341600000000, 0.0000652400000000 ] - [ -0.0000025000000000, 0.0002002300000000, 0.0003900200000000 ] - [ -0.0000639200000000, -0.0001796700000000, 0.0001094800000000 ] - [ -0.0009878300000000, 0.0013695100000000, 0.0009103700000000 ] - [ -0.0000008400000000, -0.0001647600000000, -0.0000399200000000 ] - [ 0.0000168700000000, 0.0002873900000000, 0.0003231300000000 ] - [ 0.0000657500000000, -0.0000521700000000, 0.0000013600000000 ] - [ -0.0003656200000000, -0.0015579500000000, -0.0002231200000000 ] - [ 0.0000891600000000, -0.0000167700000000, -0.0004289500000000 ] - [ 0.0006662400000000, 0.0007061600000000, 0.0002290200000000 ] - [ -0.0001596900000000, 0.0000815000000000, -0.0000160400000000 ] - [ -0.0002730800000000, 0.0002849000000000, -0.0001156500000000 ] - [ -0.0000546600000000, 0.0000073900000000, -0.0008341400000000 ] - [ 0.0014445500000000, 0.0013992900000000, 0.0025644600000000 ] - [ 0.0000142500000000, 0.0001349400000000, 0.0000410800000000 ] - [ -0.0000718300000000, -0.0001496400000000, 0.0002025700000000 ] - [ -0.0032355000000000, 0.0013273600000000, -0.0008578700000000 ] - [ 0.0000683200000000, -0.0000270300000000, 0.0008060600000000 ] - [ -0.0000796700000000, 0.0001876800000000, -0.0006255800000000 ] - [ -0.0001348000000000, -0.0001709900000000, 0.0007297500000000 ] - [ 0.0000596600000000, 0.0001076700000000, 0.0009550200000000 ] - [ 0.0022446100000000, 0.0016848400000000, 0.0007805200000000 ] - [ -0.0001383400000000, 0.0001694000000000, 0.0001136000000000 ] - [ -0.0000934400000000, -0.0000406100000000, -0.0000457300000000 ] - [ -0.0001625800000000, -0.0001984100000000, 0.0004496100000000 ] - [ 0.0032320200000000, -0.0013148300000000, -0.0022104800000000 ] - [ -0.0000613500000000, -0.0001024700000000, 0.0003625300000000 ] - [ -0.0000923400000000, 0.0001995700000000, -0.0007133800000000 ] - [ 0.0001245200000000, -0.0001250000000000, 0.0006127500000000 ] - [ -0.0041862300000000, -0.0031662700000000, -0.0007035100000000 ] - [ 0.0000631000000000, -0.0001830800000000, 0.0001861500000000 ] - [ 0.0000132300000000, -0.0001144900000000, -0.0005121500000000 ] - [ -0.0001359400000000, -0.0002479900000000, 0.0053665500000000 ] - [ -0.0001069700000000, 0.0003996800000000, -0.0001178600000000 ] - [ -0.0000207400000000, -0.0000001700000000, -0.0000089900000000 ] - [ 0.0001244400000000, 0.0003626500000000, 0.0002079000000000 ] - [ -0.0001138600000000, -0.0000840600000000, 0.0005272700000000 ] - [ -0.0000578400000000, 0.0000856300000000, -0.0002826400000000 ] - [ 0.0000544600000000, -0.0000128300000000, 0.0001933400000000 ] - [ 0.0000004700000000, -0.0002743600000000, -0.0005683000000000 ] - [ -0.0000870200000000, -0.0001864100000000, -0.0017116800000000 ] - [ -0.0000071100000000, -0.0001046300000000, 0.0003402200000000 ] - [ 0.0002691000000000, 0.0001833500000000, -0.0020597300000000 ] - [ 0.0001445200000000, 0.0000020700000000, 0.0003031400000000 ] - [ -0.0005004000000000, -0.0005450400000000, 0.0006635400000000 ] - [ 0.0003818900000000, 0.0001209100000000, 0.0005354800000000 ] - [ -0.0000198700000000, -0.0007422800000000, 0.0006650800000000 ] - [ -0.0002280100000000, 0.0001541300000000, -0.0000845300000000 ] - [ 0.0000371800000000, -0.0071656900000000, -0.0463551800000000 ] - [ -0.0000172800000000, -0.0000009200000000, 0.0003883300000000 ] - [ 0.0000567000000000, -0.0000642100000000, -0.0001806700000000 ] - [ 0.0000168500000000, 0.0000329600000000, 0.0002454500000000 ] - [ -0.0001239600000000, -0.0000448000000000, 0.0002193000000000 ] - [ 0.0001034800000000, -0.0001019600000000, 0.0055893200000000 ] - [ -0.0001055400000000, -0.0000403400000000, 0.0000453300000000 ] - [ 0.0001799000000000, -0.0001996600000000, 0.0000275200000000 ] - [ -0.0002276000000000, 0.0000195100000000, -0.0002052900000000 ] - [ -0.0001014000000000, -0.0001172900000000, 0.0004408900000000 ] - [ -0.0001470000000000, 0.0002163700000000, -0.0016909900000000 ] - [ 0.0000230500000000, -0.0000478800000000, 0.0003295000000000 ] - [ 0.0000704200000000, -0.0000410400000000, 0.0001514500000000 ] - [ -0.0000328600000000, 0.0007922100000000, 0.0006296800000000 ] - [ -0.0001743900000000, -0.0001784300000000, 0.0004024200000000 ] - [ 0.0005982800000000, 0.0006293900000000, 0.0007148700000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000398300000000, -0.0001298300000000, 0.0005726700000000 ] - [ -0.0005337600000000, -0.0004376600000000, -0.0004617300000000 ] - [ 0.0002384400000000, -0.0001035300000000, 0.0001370900000000 ] - [ 0.0000813800000000, -0.0001002500000000, -0.0001370900000000 ] - [ -0.0000210600000000, 0.0001497800000000, 0.0004992600000000 ] - [ 0.0001597300000000, 0.0002730500000000, -0.0001198800000000 ] - [ 0.0000410100000000, 0.0000523800000000, 0.0001884100000000 ] - [ 0.0000574400000000, 0.0000845500000000, -0.0001672100000000 ] - [ 0.0001201000000000, -0.0001350300000000, 0.0002244300000000 ] - [ 0.0027722900000000, -0.0044474400000000, -0.0062999400000000 ] - [ -0.0000584000000000, -0.0002230400000000, 0.0002387500000000 ] - [ -0.0000122000000000, 0.0002100400000000, -0.0002700700000000 ] - [ -0.0030493900000000, 0.0044682600000000, -0.0058687900000000 ] - [ -0.0002540300000000, 0.0000218800000000, 0.0002037100000000 ] - [ 0.0000804800000000, -0.0001264600000000, -0.0001511500000000 ] - [ 0.0001018600000000, 0.0000380400000000, 0.0002633400000000 ] - [ -0.0022377800000000, -0.0081191000000000, -0.0091204600000000 ] - [ 0.0000246600000000, 0.0000984200000000, 0.0003312500000000 ] - [ -0.0001165100000000, 0.0001284500000000, -0.0001705800000000 ] - [ 0.0000247500000000, -0.0000018700000000, 0.0001549000000000 ] - [ 0.0001358500000000, 0.0000103900000000, 0.0001904300000000 ] - [ 0.0012763100000000, 0.0007805000000000, -0.0032479500000000 ] - [ -0.0000892800000000, 0.0000665100000000, 0.0002377000000000 ] - [ -0.0000280500000000, -0.0002298800000000, -0.0003061800000000 ] - [ 0.0000970300000000, -0.0000484100000000, 0.0005910300000000 ] - [ 0.0002455200000000, -0.0002886700000000, -0.0004809000000000 ] - [ -0.0000434200000000, -0.0000257900000000, 0.0002193100000000 ] - [ 0.0002160300000000, 0.0000647500000000, -0.0002491100000000 ] - [ -0.0000358000000000, 0.0002738100000000, 0.0003908900000000 ] - [ 0.0008717300000000, -0.0009651200000000, -0.0016390000000000 ] - [ 0.0000217300000000, 0.0001014100000000, 0.0002563400000000 ] - [ -0.0000178700000000, -0.0000827300000000, -0.0003196900000000 ] - [ -0.0001791300000000, -0.0002313800000000, 0.0004632100000000 ] - [ 0.0000262400000000, 0.0003550400000000, -0.0000927300000000 ] - [ 0.0000673600000000, -0.0000283900000000, 0.0000280300000000 ] - [ 0.0001801400000000, 0.0003222300000000, -0.0003506500000000 ] - [ -0.0001632000000000, 0.0000679100000000, 0.0004228200000000 ] - [ 0.0003363600000000, -0.0000440200000000, -0.0003325100000000 ] - [ -0.0002092900000000, 0.0001764000000000, 0.0004064500000000 ] - [ -0.0004634700000000, -0.0001554000000000, -0.0005300200000000 ] - [ -0.0002295900000000, 0.0003285200000000, -0.0016223000000000 ] - [ -0.0001421500000000, 0.0000275500000000, 0.0004357100000000 ] - [ 0.0002143700000000, -0.0000753400000000, -0.0005128300000000 ] - [ 0.0001325300000000, 0.0000863400000000, 0.0001911500000000 ] - [ 0.0003345000000000, 0.0002896700000000, 0.0004250400000000 ] - [ -0.0005060700000000, 0.0000626900000000, 0.0006665100000000 ] - [ 0.0000411600000000, 0.0000281100000000, 0.0002740800000000 ] - [ -0.0000018100000000, 0.0001855400000000, -0.0001619400000000 ] - [ 0.0001730000000000, -0.0001449800000000, 0.0001149000000000 ] - [ 0.0000864700000000, 0.0003808800000000, 0.0003859400000000 ] - [ 0.0000545800000000, 0.0000733300000000, 0.0000959200000000 ] - [ -0.0003033200000000, -0.0001340200000000, -0.0007532600000000 ] - [ 0.0035376400000000, 0.0011900400000000, -0.0053891900000000 ] - [ 0.0001201100000000, -0.0000702200000000, 0.0000571100000000 ] - [ -0.0000870000000000, -0.0000580300000000, -0.0000175400000000 ] - [ -0.0000984900000000, 0.0001581700000000, 0.0004249400000000 ] - [ -0.0003594000000000, 0.0003492800000000, 0.0005815700000000 ] - [ 0.0002472500000000, 0.0002077700000000, 0.0005377200000000 ] - [ 0.0001203400000000, 0.0001102800000000, -0.0001482900000000 ] - [ 0.0000532100000000, -0.0000814300000000, 0.0003337100000000 ] - [ 0.0000853100000000, 0.0000064500000000, 0.0000415900000000 ] - [ 0.0000250200000000, -0.0001886000000000, 0.0001844600000000 ] - [ -0.0050220200000000, -0.0012799100000000, -0.0047118500000000 ] - [ -0.0002130300000000, -0.0002099100000000, 0.0002186400000000 ] - [ -0.0000608300000000, 0.0000826000000000, -0.0004740800000000 ] - [ 0.0000630400000000, -0.0000456200000000, 0.0000184600000000 ] - [ 0.0000027400000000, 0.0000266800000000, 0.0002967600000000 ] - [ 0.0009186300000000, -0.0012286100000000, -0.0013352800000000 ] - [ -0.0000654400000000, 0.0001272100000000, -0.0001856900000000 ] - [ -0.0000840800000000, -0.0002508500000000, -0.0000978400000000 ] - [ 0.0000011000000000, 0.0000136600000000, 0.0002243400000000 ] - [ 0.0004416100000000, 0.0015953500000000, -0.0000024900000000 ] - [ 0.0002349500000000, 0.0000988900000000, 0.0003817700000000 ] - [ -0.0003481900000000, -0.0007933900000000, -0.0001814700000000 ] - [ -0.0001633900000000, 0.0000017400000000, 0.0000663600000000 ] - [ -0.0000459100000000, -0.0003733200000000, 0.0000669900000000 ] - [ -0.0000001800000000, 0.0001267500000000, 0.0002952900000000 ] - [ -0.0015059600000000, -0.0015344000000000, -0.0020312000000000 ] - [ 0.0000412900000000, -0.0000009000000000, 0.0004999500000000 ] - [ 0.0001271300000000, 0.0000160900000000, -0.0007442800000000 ] - [ 0.0033586000000000, -0.0011488700000000, 0.0012755400000000 ] - [ 0.0000709900000000, -0.0001525500000000, -0.0012275700000000 ] - [ -0.0000588800000000, -0.0000116600000000, 0.0002053300000000 ] - [ -0.0000029100000000, -0.0000056600000000, -0.0003108500000000 ] - [ 0.0002671800000000, -0.0002648800000000, -0.0006382300000000 ] - [ -0.0019140200000000, -0.0015287100000000, -0.0010907000000000 ] - [ -0.0001890400000000, -0.0003282200000000, -0.0004294300000000 ] - [ -0.0002335900000000, 0.0002004800000000, 0.0003617100000000 ] - [ 0.0002180600000000, -0.0000629200000000, -0.0006053800000000 ] - [ -0.0031897800000000, 0.0015710100000000, 0.0023787100000000 ] - [ 0.0000068800000000, -0.0001597600000000, -0.0002061100000000 ] - [ 0.0000392100000000, 0.0000620300000000, 0.0005596700000000 ] - [ -0.0001399500000000, 0.0001601600000000, -0.0006346100000000 ] - [ 0.0041934700000000, 0.0031438400000000, 0.0007411600000000 ] - [ -0.0000469900000000, 0.0002154700000000, -0.0001658700000000 ] - [ 0.0000042800000000, 0.0000840200000000, 0.0004955000000000 ] - [ 0.0001528000000000, 0.0001564800000000, -0.0051466900000000 ] - [ 0.0001256300000000, -0.0003117000000000, -0.0000232200000000 ] - [ 0.0000012300000000, -0.0000864100000000, -0.0001316800000000 ] - [ -0.0001446200000000, -0.0002751500000000, -0.0000679000000000 ] - [ -0.0000093400000000, -0.0000218500000000, -0.0004920100000000 ] - [ -0.0000653600000000, 0.0000188200000000, 0.0002500200000000 ] - [ 0.0000686500000000, -0.0000929800000000, -0.0002290300000000 ] - [ 0.0001219400000000, 0.0003801800000000, 0.0006066500000000 ] - [ -0.0001248300000000, 0.0002950500000000, 0.0018597200000000 ] - [ -0.0002072700000000, -0.0000161300000000, -0.0004857000000000 ] - [ -0.0000608900000000, -0.0000559500000000, 0.0019154100000000 ] - [ 0.0000686600000000, -0.0001211100000000, -0.0001588600000000 ] - [ 0.0004171900000000, 0.0004967300000000, -0.0006602200000000 ] - [ -0.0004664300000000, -0.0000732900000000, -0.0005414400000000 ] - [ 0.0001052300000000, 0.0006922200000000, -0.0006692900000000 ] - [ 0.0003105200000000, -0.0001046000000000, 0.0000890800000000 ] - [ -0.0000486700000000, 0.0072918700000000, 0.0460748100000000 ] - [ -0.0000210900000000, -0.0000191000000000, -0.0002589900000000 ] - [ -0.0000185800000000, 0.0000849000000000, 0.0003104900000000 ] - [ 0.0000205500000000, -0.0000534500000000, -0.0003752400000000 ] - [ 0.0000147200000000, 0.0002902000000000, -0.0001840700000000 ] - [ -0.0002138300000000, -0.0001442900000000, -0.0057034500000000 ] - [ 0.0002161300000000, 0.0002854100000000, -0.0000811100000000 ] - [ -0.0000707200000000, -0.0000451500000000, 0.0000077800000000 ] - [ 0.0001303000000000, 0.0001571100000000, 0.0001496200000000 ] - [ 0.0000062900000000, -0.0000595900000000, -0.0003845300000000 ] - [ 0.0002468600000000, -0.0000371200000000, 0.0017511700000000 ] - [ 0.0000732800000000, -0.0001271700000000, -0.0003864000000000 ] - [ -0.0000341500000000, 0.0000651200000000, 0.0000289100000000 ] - [ 0.0000739300000000, -0.0008166000000000, -0.0008102500000000 ] - [ 0.0001387300000000, 0.0001995800000000, -0.0005827300000000 ] - [ -0.0006334600000000, -0.0006496800000000, -0.0005333800000000 ]- atom: 117 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0015627600000000, -0.0003328000000000, 0.0003043700000000 ] - [ 0.0021961200000000, -0.0007491000000000, 0.0004599600000000 ] - [ 0.0000294100000000, 0.0001228000000000, -0.0000165200000000 ] - [ 0.0000827200000000, -0.0000148100000000, 0.0000272100000000 ] - [ -0.0001537400000000, -0.0001588100000000, 0.0000716400000000 ] - [ 0.0000611300000000, -0.0000252100000000, 0.0001312500000000 ] - [ -0.0000368300000000, 0.0000971300000000, -0.0000964200000000 ] - [ -0.0000848700000000, -0.0001473700000000, -0.0001073800000000 ] - [ 0.0019837600000000, 0.0011431600000000, -0.0008336300000000 ] - [ -0.0001845400000000, -0.0009114200000000, 0.0004290400000000 ] - [ 0.0000822500000000, 0.0002152300000000, -0.0000534400000000 ] - [ -0.0002027700000000, 0.0000801700000000, 0.0000323800000000 ] - [ -0.0002008200000000, -0.0000616500000000, 0.0001845100000000 ] - [ -0.0001175200000000, -0.0001332100000000, 0.0002529900000000 ] - [ -0.0001434500000000, 0.0002066400000000, -0.0001539200000000 ] - [ 0.0003037400000000, 0.0000430600000000, -0.0000273600000000 ] - [ -0.0001658200000000, -0.0000298800000000, -0.0000296800000000 ] - [ 0.0001153900000000, 0.0000357600000000, 0.0000597100000000 ] - [ -0.0000725600000000, 0.0000501600000000, 0.0000013600000000 ] - [ 0.0000098900000000, -0.0001867400000000, -0.0000464500000000 ] - [ 0.0012227300000000, -0.0007408700000000, -0.0005187800000000 ] - [ -0.0003571100000000, -0.0003062100000000, -0.0004741300000000 ] - [ -0.0001160400000000, 0.0000205300000000, 0.0001878700000000 ] - [ -0.0001082600000000, -0.0000014100000000, -0.0000074500000000 ] - [ -0.0000971500000000, -0.0000628100000000, 0.0000690900000000 ] - [ 0.0001579900000000, -0.0000842400000000, -0.0001771600000000 ] - [ -0.0002207200000000, 0.0001628600000000, -0.0001913000000000 ] - [ 0.0000708900000000, 0.0000066200000000, -0.0000501300000000 ] - [ 0.0001681800000000, -0.0000778400000000, -0.0001255800000000 ] - [ -0.0002924900000000, -0.0001007200000000, -0.0003601300000000 ] - [ -0.0000262100000000, 0.0002288500000000, -0.0000712200000000 ] - [ 0.0000156200000000, -0.0001941600000000, -0.0000057700000000 ] - [ 0.0000633200000000, -0.0002302200000000, 0.0000372500000000 ] - [ -0.0001231500000000, -0.0001683000000000, 0.0000016500000000 ] - [ -0.0002211900000000, 0.0005474600000000, -0.0002068100000000 ] - [ -0.0001016900000000, 0.0001251500000000, -0.0000397800000000 ] - [ 0.0000631900000000, -0.0001068400000000, -0.0003128000000000 ] - [ 0.0031011300000000, 0.0032596600000000, 0.0035427900000000 ] - [ -0.0002967400000000, 0.0000829700000000, 0.0002613800000000 ] - [ -0.0000571800000000, -0.0000085000000000, -0.0000741100000000 ] - [ -0.0004943600000000, 0.0000356700000000, -0.0001303600000000 ] - [ -0.0000098200000000, 0.0001522000000000, 0.0002700900000000 ] - [ 0.0001373100000000, -0.0000285900000000, -0.0000319900000000 ] - [ 0.0000566300000000, -0.0000664300000000, 0.0000135400000000 ] - [ 0.0000596000000000, -0.0001471700000000, -0.0000965200000000 ] - [ -0.0000659200000000, -0.0000050300000000, 0.0003054600000000 ] - [ -0.0000727700000000, 0.0001150700000000, 0.0000510300000000 ] - [ -0.0000439100000000, 0.0002820400000000, -0.0003642100000000 ] - [ 0.0011544300000000, -0.0032397100000000, -0.0031205800000000 ] - [ 0.0066077400000000, -0.0042788800000000, -0.0063130300000000 ] - [ 0.0000666700000000, -0.0002472100000000, 0.0003456300000000 ] - [ 0.0000284600000000, -0.0000213700000000, 0.0000298600000000 ] - [ 0.0000860200000000, -0.0000368300000000, -0.0000273100000000 ] - [ 0.0001183500000000, -0.0000155400000000, -0.0000022900000000 ] - [ 0.0003357100000000, 0.0002009800000000, 0.0000256300000000 ] - [ -0.0001884700000000, 0.0001381000000000, -0.0002274100000000 ] - [ -0.0000802100000000, -0.0001218100000000, 0.0002430200000000 ] - [ -0.0000419600000000, 0.0000991100000000, -0.0000399200000000 ] - [ 0.0001498000000000, -0.0000311100000000, -0.0002280400000000 ] - [ -0.0002290200000000, -0.0000461300000000, 0.0001634500000000 ] - [ 0.0002293800000000, 0.0001304100000000, 0.0004915100000000 ] - [ 0.0000333300000000, 0.0000442200000000, 0.0003228000000000 ] - [ -0.0001628400000000, 0.0001662500000000, -0.0003013700000000 ] - [ 0.0050337500000000, -0.0016486900000000, 0.0043940500000000 ] - [ -0.0000208000000000, 0.0001205200000000, -0.0002728300000000 ] - [ 0.0001110400000000, 0.0002034300000000, 0.0000917400000000 ] - [ 0.0021243600000000, -0.0047324300000000, 0.0008669500000000 ] - [ 0.0000714200000000, -0.0001860900000000, -0.0000131000000000 ] - [ -0.0007236100000000, 0.0018731100000000, 0.0016557000000000 ] - [ -0.0005102900000000, 0.0004226100000000, 0.0009347200000000 ] - [ 0.0001051700000000, 0.0000771300000000, 0.0003404600000000 ] - [ 0.0000223200000000, 0.0000509900000000, -0.0001046200000000 ] - [ 0.0065863800000000, -0.0022818300000000, 0.0015373500000000 ] - [ 0.0113320000000000, 0.0031177200000000, 0.0001393700000000 ] - [ -0.0000333800000000, 0.0003174300000000, -0.0000811500000000 ] - [ -0.0001916200000000, 0.0000306500000000, -0.0000087200000000 ] - [ -0.0001450300000000, 0.0004989700000000, 0.0007637100000000 ] - [ 0.0000693000000000, -0.0003955200000000, 0.0013583800000000 ] - [ 0.0000482600000000, 0.0003310400000000, -0.0001882900000000 ] - [ -0.0000523800000000, 0.0000255900000000, -0.0002713800000000 ] - [ 0.0002195500000000, 0.0002260400000000, 0.0004312500000000 ] - [ -0.0001365600000000, 0.0001799500000000, -0.0002309700000000 ] - [ -0.0001123800000000, -0.0000475100000000, -0.0002171900000000 ] - [ 0.0002568300000000, -0.0000015400000000, 0.0002189600000000 ] - [ 0.0003675100000000, 0.0001286800000000, -0.0002321000000000 ] - [ 0.0000033300000000, 0.0003766600000000, -0.0005708200000000 ] - [ -0.0001558200000000, -0.0003014400000000, 0.0000650800000000 ] - [ 0.0001518500000000, 0.0000880700000000, 0.0005456400000000 ] - [ -0.0000799600000000, 0.0007762600000000, 0.0004530800000000 ] - [ 0.0028138900000000, -0.0002015700000000, 0.0016917100000000 ] - [ 0.0000290700000000, -0.0000668300000000, -0.0000817700000000 ] - [ 0.0000020200000000, 0.0000630000000000, -0.0001361300000000 ] - [ 0.0033233700000000, 0.0003304900000000, -0.0038311300000000 ] - [ -0.0011253100000000, 0.0029812500000000, -0.0034938100000000 ] - [ 0.0002648900000000, -0.0001884000000000, 0.0001915100000000 ] - [ 0.0000275900000000, -0.0000895200000000, -0.0000407900000000 ] - [ 0.0001376600000000, -0.0000372400000000, -0.0000435500000000 ] - [ -0.0001886900000000, 0.0000396800000000, -0.0001812000000000 ] - [ 0.0003681700000000, -0.0003676300000000, -0.0001002400000000 ] - [ -0.0002380100000000, -0.0000015500000000, 0.0002095200000000 ] - [ 0.0003784100000000, -0.0000708900000000, -0.0002967500000000 ] - [ -0.0017594900000000, -0.0000558400000000, -0.0000739000000000 ] - [ 0.0003667600000000, -0.0001531600000000, 0.0001731800000000 ] - [ -0.0000481400000000, 0.0000716400000000, 0.0000479100000000 ] - [ 0.0006524300000000, 0.0000282600000000, -0.0002707600000000 ] - [ -0.0005879500000000, -0.0001757400000000, -0.0000668900000000 ] - [ 0.0002158000000000, 0.0002164100000000, -0.0002161800000000 ] - [ -0.0003079500000000, 0.0007977400000000, -0.0003788900000000 ] - [ 0.0017671900000000, -0.0008216000000000, 0.0005011100000000 ] - [ -0.0007719400000000, -0.0016064800000000, 0.0003669400000000 ] - [ 0.0001685300000000, -0.0000305300000000, -0.0001058500000000 ] - [ -0.0001332900000000, 0.0001723300000000, -0.0000613500000000 ] - [ 0.0004622400000000, -0.0000512000000000, -0.0001345100000000 ] - [ -0.0017002900000000, -0.0002017400000000, -0.0000864600000000 ] - [ 0.0003679200000000, -0.0003457800000000, -0.0000950000000000 ] - [ -0.0004249600000000, -0.0003083100000000, -0.0001910300000000 ] - [ -0.0428282200000000, 0.0031154900000000, 0.0005345100000000 ] - [ 0.0019862500000000, -0.0000946800000000, 0.0007668100000000 ] - [ -0.0001629600000000, 0.0000984800000000, -0.0001008500000000 ] - [ 0.0002184300000000, -0.0001380900000000, -0.0000435600000000 ] - [ -0.0005724000000000, 0.0006813000000000, 0.0003478900000000 ] - [ 0.0003982800000000, -0.0001886800000000, -0.0000424200000000 ] - [ -0.0001937300000000, 0.0001442600000000, -0.0000677000000000 ] - [ 0.0006998500000000, 0.0001320400000000, 0.0002211000000000 ] - [ -0.0006719100000000, 0.0023323800000000, 0.0000221700000000 ] - [ 0.0002683600000000, 0.0001131800000000, 0.0001777600000000 ] - [ -0.0001259800000000, -0.0000469100000000, -0.0001818000000000 ] - [ 0.0001249200000000, 0.0000012800000000, 0.0000116700000000 ]- atom: 117 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0013130100000000, 0.0003360800000000, -0.0002456700000000 ] - [ -0.0024527900000000, 0.0007366100000000, -0.0005059000000000 ] - [ 0.0002143400000000, -0.0001182200000000, -0.0000366400000000 ] - [ 0.0001609700000000, 0.0000091800000000, 0.0000262700000000 ] - [ 0.0000981600000000, 0.0000913200000000, -0.0001004500000000 ] - [ -0.0001166100000000, 0.0000923300000000, -0.0001013900000000 ] - [ 0.0000912300000000, -0.0001642200000000, 0.0001248700000000 ] - [ 0.0001395000000000, 0.0002138200000000, 0.0000782700000000 ] - [ -0.0018171200000000, -0.0011187500000000, 0.0007309500000000 ] - [ 0.0002994900000000, 0.0009413300000000, -0.0003985400000000 ] - [ -0.0001973700000000, -0.0002417900000000, 0.0000890100000000 ] - [ 0.0000883300000000, -0.0000540100000000, -0.0000672500000000 ] - [ -0.0000929100000000, 0.0002101200000000, -0.0001194200000000 ] - [ -0.0001756500000000, -0.0000156100000000, -0.0003193400000000 ] - [ 0.0004370000000000, -0.0000592400000000, 0.0000863900000000 ] - [ -0.0000096000000000, -0.0001935500000000, 0.0000937500000000 ] - [ 0.0001713600000000, 0.0000164100000000, -0.0000137800000000 ] - [ -0.0001090200000000, -0.0000222300000000, -0.0000176700000000 ] - [ 0.0000670900000000, -0.0000630100000000, 0.0000424900000000 ] - [ -0.0000157700000000, 0.0001989900000000, 0.0000033600000000 ] - [ -0.0010741100000000, 0.0008464600000000, 0.0003668600000000 ] - [ 0.0005255500000000, 0.0002148700000000, 0.0006320000000000 ] - [ -0.0000529600000000, 0.0000676600000000, -0.0000231200000000 ] - [ -0.0000606800000000, -0.0000873700000000, -0.0001566600000000 ] - [ 0.0001531800000000, 0.0001769500000000, -0.0000154500000000 ] - [ -0.0001008400000000, -0.0000295700000000, 0.0001234400000000 ] - [ 0.0001620400000000, -0.0000507300000000, 0.0001393900000000 ] - [ -0.0001276800000000, -0.0001220300000000, 0.0001036100000000 ] - [ -0.0002188400000000, 0.0004911800000000, 0.0001326900000000 ] - [ 0.0002442500000000, -0.0003119900000000, 0.0003508700000000 ] - [ 0.0000733300000000, 0.0001840500000000, 0.0000620900000000 ] - [ 0.0000315100000000, -0.0002180600000000, 0.0000147000000000 ] - [ -0.0002197700000000, 0.0002096600000000, 0.0001373800000000 ] - [ -0.0000341800000000, 0.0001892300000000, -0.0001757900000000 ] - [ 0.0003775100000000, -0.0005733400000000, 0.0000311400000000 ] - [ 0.0002592800000000, -0.0001039200000000, 0.0002146200000000 ] - [ 0.0002179100000000, 0.0002233000000000, -0.0000168600000000 ] - [ -0.0027706200000000, -0.0032925800000000, -0.0031120900000000 ] - [ 0.0000139800000000, 0.0000330800000000, 0.0000692200000000 ] - [ -0.0002263800000000, -0.0001076300000000, -0.0002572900000000 ] - [ 0.0002235300000000, -0.0001230300000000, 0.0001324500000000 ] - [ -0.0002702300000000, -0.0000674900000000, -0.0002749400000000 ] - [ 0.0001383800000000, -0.0000615700000000, 0.0000372400000000 ] - [ 0.0002172100000000, 0.0001563800000000, -0.0000192500000000 ] - [ -0.0000736000000000, 0.0000691500000000, -0.0003069600000000 ] - [ 0.0000520000000000, 0.0000830900000000, 0.0000978900000000 ] - [ 0.0000866400000000, -0.0001921800000000, 0.0003526200000000 ] - [ 0.0000583500000000, -0.0002054900000000, -0.0000387400000000 ] - [ -0.0012538500000000, 0.0032808600000000, 0.0027998400000000 ] - [ -0.0068956200000000, 0.0043489800000000, 0.0068154300000000 ] - [ 0.0000587800000000, 0.0002967900000000, -0.0000325900000000 ] - [ 0.0000967100000000, -0.0000278200000000, -0.0003428800000000 ] - [ 0.0000709700000000, -0.0000818100000000, -0.0000023900000000 ] - [ 0.0000383200000000, 0.0001345000000000, 0.0000308300000000 ] - [ -0.0004906400000000, -0.0003199700000000, 0.0000044100000000 ] - [ 0.0000302700000000, -0.0000179700000000, 0.0001978300000000 ] - [ -0.0000318300000000, -0.0000931000000000, 0.0001007800000000 ] - [ -0.0000704400000000, 0.0001162600000000, -0.0003041300000000 ] - [ -0.0000363000000000, -0.0001849800000000, -0.0001147300000000 ] - [ 0.0003406000000000, 0.0002596000000000, 0.0001802600000000 ] - [ -0.0000273300000000, -0.0000129900000000, -0.0002693100000000 ] - [ 0.0001690600000000, -0.0001619000000000, -0.0005463600000000 ] - [ -0.0000397500000000, -0.0000468700000000, 0.0000753300000000 ] - [ -0.0053803800000000, 0.0016139000000000, -0.0043234300000000 ] - [ 0.0000820900000000, -0.0002730800000000, -0.0001367400000000 ] - [ -0.0000499200000000, -0.0000510500000000, 0.0003185100000000 ] - [ -0.0021910600000000, 0.0046232200000000, -0.0004652700000000 ] - [ -0.0001324500000000, 0.0003388900000000, -0.0003962100000000 ] - [ 0.0006476700000000, -0.0019059900000000, -0.0018733700000000 ] - [ 0.0004410600000000, -0.0003972400000000, -0.0007238400000000 ] - [ -0.0000385900000000, -0.0001140400000000, -0.0001169200000000 ] - [ 0.0000455200000000, -0.0000140000000000, -0.0001190900000000 ] - [ -0.0059654200000000, 0.0021930100000000, -0.0016242600000000 ] - [ -0.0115096100000000, -0.0033453800000000, -0.0000099000000000 ] - [ -0.0002891100000000, -0.0002310800000000, 0.0001338600000000 ] - [ -0.0001308700000000, -0.0001170600000000, -0.0000441300000000 ] - [ 0.0000899500000000, -0.0003630100000000, -0.0012957500000000 ] - [ -0.0001268700000000, 0.0002627600000000, -0.0008259500000000 ] - [ 0.0000075300000000, -0.0001970700000000, 0.0007306400000000 ] - [ 0.0001078100000000, -0.0001612100000000, -0.0002678900000000 ] - [ -0.0000789300000000, -0.0000433200000000, -0.0000128800000000 ] - [ 0.0002773300000000, -0.0003634800000000, -0.0001847500000000 ] - [ -0.0000279000000000, 0.0002304000000000, -0.0002024200000000 ] - [ -0.0003954600000000, -0.0001779400000000, 0.0001986200000000 ] - [ -0.0000361300000000, -0.0002836200000000, 0.0005425500000000 ] - [ 0.0003286600000000, -0.0002214200000000, 0.0002600400000000 ] - [ -0.0001751700000000, 0.0001468000000000, -0.0003769000000000 ] - [ -0.0004814200000000, 0.0000698200000000, -0.0002324600000000 ] - [ 0.0001639200000000, -0.0010418200000000, -0.0006088900000000 ] - [ -0.0027551000000000, 0.0004754900000000, -0.0015201500000000 ] - [ -0.0000854300000000, -0.0001975500000000, 0.0002423700000000 ] - [ -0.0000595900000000, 0.0002015200000000, -0.0000243600000000 ] - [ -0.0033182400000000, -0.0002757400000000, 0.0037697600000000 ] - [ 0.0011358100000000, -0.0030352100000000, 0.0035364400000000 ] - [ -0.0002529100000000, 0.0002198500000000, -0.0001752800000000 ] - [ -0.0000131500000000, 0.0000589700000000, 0.0000234200000000 ] - [ -0.0001176500000000, -0.0000505100000000, 0.0001831200000000 ] - [ 0.0002086000000000, 0.0000479900000000, 0.0000418600000000 ] - [ -0.0003891400000000, 0.0002786200000000, -0.0000401800000000 ] - [ 0.0002172900000000, 0.0000897500000000, -0.0000694700000000 ] - [ -0.0004980100000000, -0.0000349500000000, 0.0003355400000000 ] - [ 0.0016404800000000, 0.0001542600000000, 0.0000211900000000 ] - [ -0.0002469200000000, 0.0000485200000000, -0.0002138800000000 ] - [ 0.0001689100000000, 0.0000333300000000, -0.0000078800000000 ] - [ -0.0008694400000000, 0.0000938800000000, 0.0004125700000000 ] - [ 0.0003617100000000, 0.0000548800000000, -0.0000731700000000 ] - [ 0.0000027500000000, -0.0000953200000000, 0.0000737300000000 ] - [ 0.0005291500000000, -0.0009205300000000, 0.0005205100000000 ] - [ -0.0018670000000000, 0.0007835800000000, -0.0004963400000000 ] - [ 0.0006672300000000, 0.0016540500000000, -0.0003713900000000 ] - [ -0.0000784900000000, -0.0000156000000000, 0.0001003800000000 ] - [ 0.0002235300000000, -0.0001259600000000, 0.0000667400000000 ] - [ -0.0005002000000000, 0.0000712100000000, 0.0000055700000000 ] - [ 0.0016623700000000, 0.0001769400000000, 0.0002294400000000 ] - [ -0.0003330400000000, 0.0003673100000000, 0.0002252200000000 ] - [ 0.0004614400000000, 0.0002884700000000, 0.0000610200000000 ] - [ 0.0431223800000000, -0.0029371000000000, -0.0005904000000000 ] - [ -0.0020917700000000, -0.0001528500000000, -0.0008041700000000 ] - [ 0.0002706200000000, 0.0001467500000000, 0.0000626400000000 ] - [ -0.0001112200000000, -0.0001069300000000, 0.0000818500000000 ] - [ 0.0004859800000000, -0.0005112100000000, -0.0004062500000000 ] - [ -0.0004855200000000, 0.0000186100000000, 0.0000999600000000 ] - [ 0.0002795600000000, 0.0000289400000000, 0.0001226700000000 ] - [ -0.0006068100000000, -0.0003012700000000, -0.0002787900000000 ] - [ 0.0007110500000000, -0.0023082700000000, 0.0001601200000000 ] - [ -0.0002261900000000, -0.0001304100000000, -0.0003602800000000 ] - [ 0.0000839100000000, 0.0000648000000000, -0.0000003400000000 ] - [ -0.0001665400000000, -0.0000184900000000, 0.0001703500000000 ]- atom: 117 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001030300000000, 0.0008262100000000, -0.0003142000000000 ] - [ -0.0015409000000000, 0.0040029200000000, -0.0015907200000000 ] - [ 0.0001963600000000, -0.0002935100000000, -0.0000185500000000 ] - [ 0.0000423600000000, -0.0001221100000000, -0.0000120800000000 ] - [ -0.0000277300000000, 0.0001404700000000, -0.0000241000000000 ] - [ -0.0000681900000000, 0.0001305600000000, 0.0002903000000000 ] - [ 0.0000124500000000, -0.0004704500000000, -0.0000292000000000 ] - [ -0.0000780800000000, -0.0003244400000000, -0.0001435300000000 ] - [ 0.0008673100000000, 0.0044979700000000, -0.0018715200000000 ] - [ -0.0003628500000000, 0.0000330100000000, 0.0001516300000000 ] - [ -0.0001410200000000, -0.0004552100000000, 0.0000685100000000 ] - [ -0.0000907700000000, -0.0001526800000000, -0.0000946700000000 ] - [ -0.0001961200000000, 0.0000926000000000, 0.0000678700000000 ] - [ -0.0001364500000000, 0.0001023000000000, 0.0000889500000000 ] - [ 0.0001774700000000, -0.0000715000000000, -0.0001292500000000 ] - [ 0.0001763600000000, -0.0006647100000000, -0.0000943500000000 ] - [ -0.0001421700000000, 0.0002554900000000, -0.0001677400000000 ] - [ 0.0000718600000000, 0.0002369500000000, -0.0003315400000000 ] - [ -0.0000162700000000, -0.0003653000000000, 0.0000019000000000 ] - [ -0.0001713500000000, -0.0002843500000000, 0.0001166400000000 ] - [ -0.0008877000000000, 0.0107383800000000, 0.0078433100000000 ] - [ -0.0001045100000000, 0.0004309400000000, -0.0001747500000000 ] - [ -0.0001185200000000, -0.0000736800000000, 0.0001678400000000 ] - [ -0.0001007500000000, -0.0002396700000000, -0.0000072100000000 ] - [ -0.0000687900000000, 0.0001388300000000, -0.0000774400000000 ] - [ 0.0001514400000000, 0.0000780600000000, -0.0002344100000000 ] - [ 0.0001016700000000, -0.0001702000000000, -0.0000249800000000 ] - [ 0.0000252200000000, -0.0005594700000000, 0.0001258600000000 ] - [ -0.0008951600000000, 0.0009725900000000, -0.0004569800000000 ] - [ -0.0001191100000000, 0.0004572600000000, -0.0002261500000000 ] - [ -0.0000408600000000, -0.0000863100000000, 0.0001636500000000 ] - [ 0.0001253700000000, -0.0005009200000000, 0.0000354100000000 ] - [ 0.0000006200000000, -0.0000473400000000, -0.0001691900000000 ] - [ -0.0001690100000000, -0.0000160100000000, -0.0002476400000000 ] - [ 0.0017231000000000, 0.0001515400000000, -0.0001178700000000 ] - [ 0.0000568900000000, -0.0000534500000000, 0.0000849900000000 ] - [ -0.0004375600000000, -0.0001483500000000, -0.0003915900000000 ] - [ 0.0023253300000000, 0.0059512400000000, 0.0042256900000000 ] - [ -0.0002177200000000, 0.0000211800000000, 0.0003003000000000 ] - [ -0.0001322500000000, -0.0002612500000000, -0.0000859000000000 ] - [ -0.0006354300000000, 0.0001867300000000, -0.0007385600000000 ] - [ -0.0005934000000000, -0.0003394600000000, -0.0009735000000000 ] - [ 0.0002339200000000, -0.0002998300000000, 0.0001176100000000 ] - [ 0.0002657800000000, -0.0000398700000000, 0.0002227000000000 ] - [ -0.0000843400000000, 0.0000968300000000, -0.0001735300000000 ] - [ -0.0000456500000000, 0.0001508700000000, 0.0001992300000000 ] - [ -0.0000710400000000, -0.0004230200000000, 0.0002232900000000 ] - [ 0.0001211500000000, -0.0005197000000000, -0.0001559000000000 ] - [ -0.0000882200000000, 0.0006375100000000, 0.0000589100000000 ] - [ -0.0041095800000000, 0.0004304300000000, 0.0020502400000000 ] - [ 0.0001646000000000, 0.0002258800000000, 0.0001965600000000 ] - [ -0.0000018500000000, 0.0000876400000000, -0.0001983500000000 ] - [ 0.0001143800000000, 0.0000430900000000, -0.0000573400000000 ] - [ 0.0001099000000000, 0.0001701500000000, 0.0000633900000000 ] - [ 0.0000844000000000, -0.0002627300000000, -0.0005083400000000 ] - [ -0.0001288500000000, 0.0000151000000000, -0.0001367700000000 ] - [ -0.0000905900000000, 0.0000617400000000, 0.0001232500000000 ] - [ -0.0001001900000000, 0.0001459200000000, -0.0002500800000000 ] - [ 0.0001188900000000, -0.0007011500000000, -0.0000748800000000 ] - [ -0.0000626800000000, -0.0001556600000000, 0.0002078300000000 ] - [ 0.0001538100000000, 0.0001158600000000, -0.0000142100000000 ] - [ 0.0000511500000000, -0.0000330700000000, -0.0002879500000000 ] - [ 0.0001029000000000, -0.0000979200000000, -0.0001803100000000 ] - [ -0.0020770800000000, 0.0011815000000000, -0.0017875100000000 ] - [ 0.0000232000000000, -0.0001042700000000, -0.0000105200000000 ] - [ 0.0000403000000000, 0.0000661500000000, 0.0002837200000000 ] - [ -0.0041577800000000, 0.0060799000000000, -0.0015154000000000 ] - [ -0.0000347600000000, 0.0001836500000000, -0.0001145200000000 ] - [ 0.0000320200000000, -0.0003733800000000, -0.0002124100000000 ] - [ 0.0006157400000000, 0.0010974000000000, 0.0011028200000000 ] - [ -0.0000128300000000, -0.0000147600000000, -0.0000265400000000 ] - [ 0.0000981100000000, -0.0000380300000000, -0.0001095100000000 ] - [ -0.0027561800000000, 0.0031893300000000, -0.0008820000000000 ] - [ 0.0028960500000000, 0.0022691000000000, 0.0001110500000000 ] - [ -0.0002089300000000, -0.0001615100000000, 0.0001455800000000 ] - [ -0.0001681600000000, -0.0001850000000000, 0.0000073800000000 ] - [ 0.0000668400000000, 0.0009157900000000, -0.0003953600000000 ] - [ -0.0004399800000000, 0.0007409300000000, 0.0007498200000000 ] - [ 0.0000662800000000, -0.0004639100000000, 0.0008845700000000 ] - [ 0.0000080500000000, -0.0002279700000000, -0.0002509300000000 ] - [ 0.0000770800000000, -0.0003944900000000, 0.0006933400000000 ] - [ 0.0003460500000000, -0.0004927300000000, 0.0003838500000000 ] - [ -0.0001187100000000, 0.0008224900000000, -0.0003330400000000 ] - [ -0.0001156800000000, 0.0003516600000000, 0.0001052400000000 ] - [ 0.0002776500000000, -0.0003426500000000, 0.0002218300000000 ] - [ 0.0003663600000000, 0.0001096600000000, -0.0002857800000000 ] - [ -0.0001409400000000, 0.0006607100000000, 0.0000247400000000 ] - [ -0.0000924200000000, 0.0004517100000000, 0.0002510000000000 ] - [ 0.0037084600000000, 0.0008667200000000, 0.0021734100000000 ] - [ 0.0025380900000000, -0.0017193300000000, 0.0012153300000000 ] - [ -0.0000114900000000, 0.0000783900000000, -0.0001253800000000 ] - [ -0.0001541600000000, 0.0004517000000000, -0.0002133100000000 ] - [ 0.0010437000000000, -0.0038986200000000, 0.0016711100000000 ] - [ 0.0038376400000000, -0.0004128000000000, -0.0012008300000000 ] - [ -0.0002123300000000, 0.0003695100000000, -0.0004165000000000 ] - [ 0.0000236100000000, 0.0001510700000000, -0.0000041200000000 ] - [ 0.0000801200000000, -0.0001138900000000, 0.0001297300000000 ] - [ -0.0000265700000000, -0.0002267800000000, -0.0000504700000000 ] - [ -0.0001429400000000, 0.0006950700000000, 0.0002617000000000 ] - [ -0.0000759900000000, 0.0004255400000000, 0.0000710800000000 ] - [ 0.0002128700000000, -0.0003104000000000, 0.0002153700000000 ] - [ -0.0005089900000000, -0.0019647000000000, -0.0000643000000000 ] - [ -0.0001681700000000, 0.0001955000000000, -0.0003285300000000 ] - [ 0.0000148200000000, 0.0002802500000000, -0.0000065400000000 ] - [ -0.0000984900000000, -0.0001388500000000, 0.0003884700000000 ] - [ -0.0009167500000000, 0.0005483100000000, 0.0009067300000000 ] - [ 0.0001641000000000, 0.0002936700000000, -0.0002080900000000 ] - [ 0.0001273800000000, 0.0003334300000000, -0.0004504700000000 ] - [ -0.0008244700000000, -0.0006215900000000, 0.0002350600000000 ] - [ -0.0023725500000000, 0.0041192200000000, -0.0002124800000000 ] - [ 0.0001069700000000, 0.0001038200000000, -0.0000046900000000 ] - [ 0.0000389900000000, 0.0000156200000000, -0.0000262000000000 ] - [ 0.0002673500000000, -0.0002405900000000, -0.0002328500000000 ] - [ -0.0001842100000000, -0.0020264500000000, 0.0000920900000000 ] - [ -0.0000383600000000, 0.0002559300000000, 0.0002282800000000 ] - [ 0.0001090600000000, 0.0003301700000000, 0.0000116300000000 ] - [ 0.0029691600000000, -0.0418190500000000, -0.0086358300000000 ] - [ -0.0000836700000000, -0.0002100600000000, -0.0002382700000000 ] - [ 0.0000780900000000, 0.0002465500000000, -0.0000693300000000 ] - [ 0.0000383200000000, -0.0000171500000000, -0.0000386800000000 ] - [ -0.0001632600000000, 0.0006975800000000, 0.0005455200000000 ] - [ 0.0000886600000000, 0.0003900200000000, 0.0002117400000000 ] - [ -0.0007237500000000, 0.0005456400000000, -0.0006954600000000 ] - [ -0.0001265100000000, -0.0004139300000000, -0.0004322300000000 ] - [ 0.0015271700000000, 0.0035542300000000, 0.0000041100000000 ] - [ 0.0000625300000000, 0.0004862900000000, -0.0001461600000000 ] - [ -0.0001899200000000, 0.0001190900000000, -0.0000926500000000 ] - [ -0.0000068300000000, -0.0001333500000000, 0.0000799500000000 ]- atom: 117 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003457500000000, -0.0008227000000000, 0.0003662900000000 ] - [ 0.0012969100000000, -0.0041366800000000, 0.0016724600000000 ] - [ 0.0000451100000000, 0.0002975700000000, -0.0000327900000000 ] - [ 0.0001996200000000, 0.0001191000000000, 0.0000644200000000 ] - [ -0.0000247400000000, -0.0002105100000000, -0.0000041000000000 ] - [ 0.0000156500000000, -0.0000610300000000, -0.0002622700000000 ] - [ 0.0000406600000000, 0.0004028200000000, 0.0000582300000000 ] - [ 0.0001299700000000, 0.0003943800000000, 0.0001142000000000 ] - [ -0.0007030400000000, -0.0044607700000000, 0.0017641500000000 ] - [ 0.0004767300000000, -0.0000108200000000, -0.0001147900000000 ] - [ 0.0000278700000000, 0.0004297500000000, -0.0000311200000000 ] - [ -0.0000218000000000, 0.0001796300000000, 0.0000585300000000 ] - [ -0.0001000400000000, 0.0000564600000000, -0.0000023500000000 ] - [ -0.0001601200000000, -0.0002518300000000, -0.0001544100000000 ] - [ 0.0001190300000000, 0.0002207900000000, 0.0000632800000000 ] - [ 0.0001199700000000, 0.0005189400000000, 0.0001613800000000 ] - [ 0.0001553800000000, -0.0002738300000000, 0.0001249500000000 ] - [ -0.0000602900000000, -0.0002195900000000, 0.0003768000000000 ] - [ 0.0000045100000000, 0.0003500800000000, 0.0000405800000000 ] - [ 0.0001578000000000, 0.0003013900000000, -0.0001582900000000 ] - [ 0.0010405700000000, -0.0109213900000000, -0.0083062700000000 ] - [ 0.0002771400000000, -0.0005235400000000, 0.0003371500000000 ] - [ -0.0000535500000000, 0.0001649300000000, -0.0000027500000000 ] - [ -0.0000715000000000, 0.0001493100000000, -0.0001572800000000 ] - [ 0.0001189400000000, -0.0000254300000000, 0.0001326900000000 ] - [ -0.0001023600000000, -0.0001902600000000, 0.0001807200000000 ] - [ -0.0001524300000000, 0.0002823500000000, -0.0000288900000000 ] - [ -0.0000750400000000, 0.0004502500000000, -0.0000734500000000 ] - [ 0.0008551700000000, -0.0005589900000000, 0.0004700100000000 ] - [ 0.0000710800000000, -0.0008692800000000, 0.0002194400000000 ] - [ 0.0000868600000000, 0.0004994400000000, -0.0001699300000000 ] - [ -0.0000790700000000, 0.0000899000000000, -0.0000305800000000 ] - [ -0.0001590400000000, 0.0000310400000000, 0.0003445600000000 ] - [ 0.0000107400000000, 0.0000334800000000, 0.0000726900000000 ] - [ -0.0015657500000000, -0.0001567300000000, -0.0000599100000000 ] - [ 0.0001011100000000, 0.0000705600000000, 0.0000913200000000 ] - [ 0.0007225900000000, 0.0002652300000000, 0.0000598300000000 ] - [ -0.0019469600000000, -0.0060011200000000, -0.0037738400000000 ] - [ -0.0000620100000000, 0.0000940300000000, 0.0000312800000000 ] - [ -0.0001479200000000, 0.0001467300000000, -0.0002464300000000 ] - [ 0.0003631200000000, -0.0002786100000000, 0.0007447000000000 ] - [ 0.0003149400000000, 0.0004279700000000, 0.0009705700000000 ] - [ 0.0000426500000000, 0.0002078800000000, -0.0001171400000000 ] - [ 0.0000095700000000, 0.0001323000000000, -0.0002237500000000 ] - [ 0.0000712900000000, -0.0001747100000000, -0.0002262200000000 ] - [ 0.0000325100000000, -0.0000728800000000, 0.0002015400000000 ] - [ 0.0000841100000000, 0.0003462200000000, 0.0001777800000000 ] - [ -0.0001076600000000, 0.0005995600000000, -0.0002454700000000 ] - [ -0.0000354000000000, -0.0005701500000000, -0.0003574500000000 ] - [ 0.0039348100000000, -0.0004766700000000, -0.0016934500000000 ] - [ -0.0000371200000000, -0.0001733800000000, 0.0001145100000000 ] - [ 0.0001295700000000, -0.0001406200000000, -0.0001123200000000 ] - [ 0.0000414700000000, -0.0001581600000000, 0.0000287500000000 ] - [ 0.0000460600000000, -0.0000552500000000, -0.0000357600000000 ] - [ -0.0002402800000000, 0.0001458000000000, 0.0005325100000000 ] - [ -0.0000276900000000, 0.0001008900000000, 0.0001108300000000 ] - [ -0.0000220500000000, -0.0002789500000000, 0.0002178700000000 ] - [ -0.0000126100000000, 0.0000713100000000, -0.0000895600000000 ] - [ -0.0000057800000000, 0.0004886900000000, -0.0002660400000000 ] - [ 0.0001740900000000, 0.0003727200000000, 0.0001323600000000 ] - [ 0.0000491500000000, 0.0000037300000000, 0.0002393000000000 ] - [ 0.0001517600000000, -0.0000863200000000, 0.0000643200000000 ] - [ -0.0003082100000000, 0.0002174100000000, -0.0000431700000000 ] - [ 0.0018452000000000, -0.0012958800000000, 0.0019871200000000 ] - [ 0.0000382100000000, -0.0000486300000000, -0.0003942600000000 ] - [ 0.0000209400000000, 0.0000875600000000, 0.0001211800000000 ] - [ 0.0039722900000000, -0.0060048500000000, 0.0018366200000000 ] - [ -0.0000269600000000, -0.0000300200000000, -0.0002917300000000 ] - [ -0.0000993900000000, 0.0003287900000000, -0.0000204800000000 ] - [ -0.0006926000000000, -0.0010536900000000, -0.0008687000000000 ] - [ 0.0000792800000000, -0.0000235800000000, 0.0002537700000000 ] - [ -0.0000310400000000, 0.0000767700000000, -0.0001167800000000 ] - [ 0.0031483000000000, -0.0031389800000000, 0.0008173000000000 ] - [ -0.0025956300000000, -0.0023509300000000, -0.0000507600000000 ] - [ -0.0001138000000000, 0.0002460800000000, -0.0000955600000000 ] - [ -0.0001547200000000, 0.0001027400000000, -0.0000569000000000 ] - [ -0.0001242900000000, -0.0007798900000000, -0.0001435000000000 ] - [ 0.0003870600000000, -0.0008761000000000, -0.0002089000000000 ] - [ -0.0000110500000000, 0.0005975400000000, -0.0003409900000000 ] - [ 0.0000470600000000, 0.0000944900000000, -0.0002895500000000 ] - [ 0.0000602600000000, 0.0005745100000000, -0.0002766200000000 ] - [ -0.0002082800000000, 0.0003134500000000, -0.0008069100000000 ] - [ -0.0000181100000000, -0.0006480000000000, -0.0000818400000000 ] - [ -0.0000193700000000, -0.0005276500000000, 0.0003129800000000 ] - [ 0.0000498200000000, 0.0001845300000000, 0.0000944100000000 ] - [ -0.0000395900000000, 0.0000496000000000, -0.0000317500000000 ] - [ -0.0001870100000000, -0.0008224700000000, -0.0003435900000000 ] - [ -0.0002331300000000, -0.0002914800000000, 0.0000663300000000 ] - [ -0.0036649100000000, -0.0011444900000000, -0.0023467200000000 ] - [ -0.0024843300000000, 0.0019920400000000, -0.0010593400000000 ] - [ -0.0000430500000000, -0.0003413800000000, 0.0002826300000000 ] - [ 0.0000989300000000, -0.0001891100000000, 0.0000564000000000 ] - [ -0.0010659300000000, 0.0039306500000000, -0.0016867000000000 ] - [ -0.0038768400000000, 0.0003848100000000, 0.0012224300000000 ] - [ 0.0002278600000000, -0.0003365800000000, 0.0004355000000000 ] - [ -0.0000064000000000, -0.0001844100000000, -0.0000170300000000 ] - [ -0.0000609500000000, 0.0000272800000000, 0.0000104800000000 ] - [ 0.0000462600000000, 0.0003154500000000, -0.0000905600000000 ] - [ 0.0001244900000000, -0.0007847300000000, -0.0004037400000000 ] - [ 0.0000573000000000, -0.0003383800000000, 0.0000698600000000 ] - [ -0.0003388100000000, 0.0002043800000000, -0.0001791500000000 ] - [ 0.0003865900000000, 0.0020753400000000, 0.0000142300000000 ] - [ 0.0002907800000000, -0.0003023200000000, 0.0002935900000000 ] - [ 0.0001086500000000, -0.0001746100000000, 0.0000428300000000 ] - [ -0.0001128000000000, 0.0002609800000000, -0.0002466800000000 ] - [ 0.0007055400000000, -0.0006736000000000, -0.0010559600000000 ] - [ 0.0000497500000000, -0.0001735900000000, 0.0000633900000000 ] - [ 0.0000878300000000, -0.0004546000000000, 0.0005957000000000 ] - [ 0.0007437700000000, 0.0005725100000000, -0.0002299100000000 ] - [ 0.0023240200000000, -0.0041270100000000, 0.0002117100000000 ] - [ -0.0000236400000000, -0.0001537900000000, -0.0000002900000000 ] - [ 0.0000444000000000, 0.0000347900000000, 0.0000304500000000 ] - [ -0.0003058600000000, 0.0002617200000000, 0.0001032400000000 ] - [ 0.0001472500000000, 0.0020133000000000, 0.0000486800000000 ] - [ 0.0000762900000000, -0.0002372300000000, -0.0000986200000000 ] - [ -0.0000691500000000, -0.0003501800000000, -0.0001415700000000 ] - [ -0.0030826100000000, 0.0420920900000000, 0.0088487600000000 ] - [ -0.0000269900000000, -0.0000330200000000, 0.0002044600000000 ] - [ 0.0000315900000000, -0.0000022900000000, 0.0000342900000000 ] - [ 0.0000711700000000, -0.0002274100000000, 0.0000734300000000 ] - [ 0.0000700600000000, -0.0005234500000000, -0.0006043100000000 ] - [ -0.0001847500000000, -0.0005673900000000, -0.0001557100000000 ] - [ 0.0008192000000000, -0.0003714300000000, 0.0007541400000000 ] - [ 0.0002234300000000, 0.0002413600000000, 0.0003780400000000 ] - [ -0.0014693400000000, -0.0034868900000000, 0.0001722200000000 ] - [ -0.0000273100000000, -0.0005104500000000, -0.0000333000000000 ] - [ 0.0001542500000000, -0.0000961900000000, -0.0000884200000000 ] - [ -0.0000294600000000, 0.0001114900000000, 0.0001004200000000 ]- atom: 117 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0004721300000000, -0.0002431400000000, 0.0002662500000000 ] - [ 0.0010203900000000, -0.0020402100000000, 0.0032278100000000 ] - [ 0.0000953800000000, -0.0001008400000000, -0.0001972200000000 ] - [ 0.0000533900000000, -0.0001638900000000, -0.0001339500000000 ] - [ -0.0001285900000000, 0.0000104000000000, -0.0003919900000000 ] - [ 0.0001517400000000, 0.0002400300000000, -0.0006255100000000 ] - [ 0.0001080300000000, 0.0000356000000000, 0.0002282000000000 ] - [ -0.0001187600000000, -0.0001985500000000, 0.0002577600000000 ] - [ -0.0011922100000000, -0.0024454000000000, 0.0038137500000000 ] - [ 0.0006653000000000, 0.0002256100000000, 0.0001289600000000 ] - [ -0.0000470800000000, -0.0001616400000000, -0.0001897700000000 ] - [ -0.0000570300000000, -0.0002430300000000, -0.0002144100000000 ] - [ -0.0001887600000000, 0.0001707900000000, -0.0002861800000000 ] - [ 0.0000749300000000, -0.0000089000000000, -0.0006006800000000 ] - [ 0.0003469200000000, -0.0000260600000000, 0.0003869100000000 ] - [ 0.0001895900000000, -0.0003556700000000, 0.0003235200000000 ] - [ -0.0000105900000000, 0.0000644100000000, -0.0004387900000000 ] - [ 0.0000436300000000, -0.0001418600000000, -0.0006547200000000 ] - [ 0.0000199700000000, -0.0000490800000000, 0.0002580300000000 ] - [ 0.0000411000000000, 0.0001067600000000, 0.0001723000000000 ] - [ -0.0005254800000000, 0.0078951100000000, 0.0070814600000000 ] - [ -0.0003032900000000, 0.0002511500000000, 0.0001859000000000 ] - [ -0.0000634300000000, 0.0001036300000000, -0.0001049900000000 ] - [ -0.0000197800000000, 0.0000000500000000, -0.0003127800000000 ] - [ -0.0000644200000000, -0.0000194700000000, -0.0003317000000000 ] - [ -0.0001044400000000, -0.0001450700000000, -0.0007266200000000 ] - [ -0.0002839000000000, 0.0001485600000000, 0.0002314200000000 ] - [ -0.0000686300000000, 0.0001103800000000, 0.0002822100000000 ] - [ -0.0006831900000000, 0.0000632500000000, -0.0007639700000000 ] - [ -0.0004213100000000, -0.0000067500000000, -0.0006492600000000 ] - [ 0.0000487100000000, 0.0003388400000000, -0.0000565800000000 ] - [ 0.0000242600000000, -0.0001988000000000, 0.0000492600000000 ] - [ -0.0000493000000000, 0.0000873700000000, 0.0000262400000000 ] - [ 0.0000696000000000, -0.0000319000000000, -0.0004487500000000 ] - [ -0.0002426300000000, 0.0003026100000000, 0.0004098500000000 ] - [ 0.0001372300000000, -0.0000287400000000, 0.0002082900000000 ] - [ -0.0004947700000000, -0.0001611100000000, 0.0000296600000000 ] - [ 0.0028793200000000, 0.0048659300000000, 0.0057908900000000 ] - [ -0.0000486600000000, 0.0001341600000000, -0.0001057000000000 ] - [ -0.0002094500000000, 0.0000065200000000, -0.0004026200000000 ] - [ -0.0004986400000000, -0.0000444000000000, -0.0008772900000000 ] - [ -0.0004920500000000, -0.0002654100000000, -0.0008229400000000 ] - [ 0.0000488900000000, 0.0001717000000000, -0.0000491300000000 ] - [ 0.0000631200000000, 0.0002296700000000, -0.0000817300000000 ] - [ -0.0000393900000000, 0.0000024100000000, -0.0006807800000000 ] - [ 0.0000610800000000, 0.0001275600000000, -0.0002919800000000 ] - [ -0.0000103800000000, -0.0000479300000000, 0.0005842700000000 ] - [ 0.0000539900000000, -0.0000268000000000, 0.0001587500000000 ] - [ -0.0000004000000000, -0.0001929300000000, 0.0004022600000000 ] - [ -0.0053405200000000, 0.0024744300000000, 0.0064660700000000 ] - [ -0.0001815000000000, -0.0002382600000000, 0.0000296100000000 ] - [ 0.0000944700000000, -0.0000904000000000, -0.0002941100000000 ] - [ -0.0000373600000000, 0.0001657300000000, -0.0002959500000000 ] - [ -0.0000348800000000, 0.0003224100000000, -0.0004105500000000 ] - [ 0.0001417400000000, -0.0001680800000000, 0.0005484500000000 ] - [ -0.0001470200000000, 0.0001356600000000, 0.0001197400000000 ] - [ -0.0000568500000000, -0.0001132400000000, -0.0003828500000000 ] - [ -0.0000587200000000, 0.0001252600000000, -0.0006498700000000 ] - [ 0.0000182100000000, -0.0002203000000000, 0.0002779000000000 ] - [ -0.0000096500000000, -0.0000104900000000, 0.0006968300000000 ] - [ 0.0001438500000000, 0.0000146500000000, -0.0003022100000000 ] - [ 0.0000930700000000, -0.0001034600000000, -0.0002087200000000 ] - [ -0.0000331200000000, 0.0000249400000000, 0.0001621300000000 ] - [ 0.0040746700000000, -0.0012057200000000, 0.0061040100000000 ] - [ 0.0000243900000000, -0.0000896900000000, -0.0002078900000000 ] - [ 0.0000796800000000, 0.0000353100000000, 0.0004292300000000 ] - [ -0.0000071900000000, -0.0012618800000000, -0.0009510400000000 ] - [ -0.0000501900000000, 0.0001967200000000, -0.0002705900000000 ] - [ -0.0001187600000000, -0.0000135100000000, -0.0000913600000000 ] - [ 0.0006723200000000, 0.0001276000000000, 0.0002363000000000 ] - [ 0.0000349200000000, 0.0000537800000000, 0.0000805600000000 ] - [ 0.0000123900000000, 0.0000131000000000, -0.0002613900000000 ] - [ 0.0006095700000000, -0.0004006100000000, 0.0009223700000000 ] - [ 0.0002796300000000, -0.0003935400000000, 0.0008437000000000 ] - [ -0.0000015400000000, 0.0002044000000000, -0.0002286700000000 ] - [ -0.0002031200000000, -0.0000796100000000, -0.0001969100000000 ] - [ 0.0004305600000000, -0.0004153300000000, -0.0007976000000000 ] - [ 0.0005357600000000, -0.0000866600000000, -0.0002255500000000 ] - [ -0.0000490300000000, 0.0001106700000000, 0.0001622700000000 ] - [ 0.0000640400000000, -0.0001569600000000, -0.0002734400000000 ] - [ 0.0000672600000000, 0.0000158500000000, 0.0015243200000000 ] - [ 0.0001858200000000, -0.0000223900000000, 0.0010877900000000 ] - [ -0.0001540100000000, 0.0000119100000000, -0.0007595100000000 ] - [ -0.0000130600000000, -0.0001450900000000, -0.0003864400000000 ] - [ 0.0000472500000000, -0.0002022800000000, 0.0009573300000000 ] - [ 0.0000008300000000, -0.0001698400000000, 0.0006333600000000 ] - [ -0.0001106100000000, 0.0000071200000000, -0.0006599900000000 ] - [ -0.0001121200000000, 0.0001071600000000, -0.0004191500000000 ] - [ 0.0031952100000000, 0.0007946900000000, 0.0015861400000000 ] - [ 0.0027665900000000, -0.0013010100000000, 0.0018650900000000 ] - [ -0.0000225100000000, -0.0003166700000000, 0.0003544100000000 ] - [ 0.0000998500000000, 0.0000314000000000, 0.0002302500000000 ] - [ -0.0028865400000000, 0.0020356400000000, 0.0007853400000000 ] - [ -0.0040274000000000, -0.0003371600000000, 0.0010194800000000 ] - [ 0.0000398600000000, 0.0001406000000000, 0.0001188400000000 ] - [ 0.0000188100000000, 0.0002331800000000, 0.0000422800000000 ] - [ 0.0000861500000000, -0.0001760800000000, 0.0004947300000000 ] - [ -0.0000766400000000, -0.0000846400000000, 0.0004909700000000 ] - [ 0.0000511900000000, -0.0003955900000000, -0.0006783600000000 ] - [ 0.0000173100000000, 0.0000435400000000, -0.0002419800000000 ] - [ 0.0000972100000000, 0.0001182800000000, 0.0002153100000000 ] - [ -0.0005608400000000, 0.0004745500000000, 0.0057851600000000 ] - [ 0.0001220100000000, -0.0001827900000000, 0.0000531500000000 ] - [ 0.0001079300000000, 0.0000998800000000, 0.0000518600000000 ] - [ -0.0002355800000000, 0.0002655200000000, 0.0005350800000000 ] - [ -0.0008425500000000, 0.0005855600000000, 0.0006866500000000 ] - [ 0.0000245000000000, -0.0001061500000000, 0.0000480400000000 ] - [ 0.0001787600000000, -0.0007321900000000, 0.0007257600000000 ] - [ -0.0000370800000000, 0.0005120100000000, -0.0017948500000000 ] - [ 0.0001316200000000, 0.0000382800000000, -0.0021319600000000 ] - [ 0.0000424800000000, 0.0000940900000000, 0.0003007000000000 ] - [ 0.0000229200000000, 0.0001918300000000, 0.0004407400000000 ] - [ -0.0001536400000000, -0.0003453100000000, 0.0001357600000000 ] - [ 0.0001585700000000, -0.0003666100000000, 0.0056738100000000 ] - [ -0.0001540300000000, 0.0003418400000000, 0.0001299600000000 ] - [ -0.0000051200000000, 0.0000078600000000, -0.0000561300000000 ] - [ 0.0005677300000000, -0.0086586800000000, -0.0440518900000000 ] - [ -0.0008406600000000, -0.0003415500000000, -0.0009555600000000 ] - [ -0.0000277300000000, 0.0001728300000000, 0.0002667200000000 ] - [ 0.0001165600000000, -0.0000648800000000, 0.0003886600000000 ] - [ -0.0001305400000000, 0.0010576100000000, 0.0006993800000000 ] - [ 0.0001432700000000, 0.0001967500000000, 0.0000633500000000 ] - [ 0.0006888800000000, -0.0005971100000000, 0.0007264600000000 ] - [ 0.0003090300000000, -0.0003254200000000, 0.0005768200000000 ] - [ -0.0001590000000000, 0.0000661200000000, -0.0019832800000000 ] - [ 0.0000157800000000, -0.0000253100000000, -0.0005722700000000 ] - [ -0.0000709700000000, -0.0000307300000000, 0.0003413300000000 ] - [ 0.0000352800000000, -0.0000184600000000, 0.0005619500000000 ]- atom: 117 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0007149300000000, 0.0002516200000000, -0.0002142200000000 ] - [ -0.0012675900000000, 0.0019090200000000, -0.0031696900000000 ] - [ 0.0001482600000000, 0.0001061400000000, 0.0001438000000000 ] - [ 0.0001904300000000, 0.0001579500000000, 0.0001872800000000 ] - [ 0.0000733100000000, -0.0000774900000000, 0.0003623800000000 ] - [ -0.0002057700000000, -0.0001714600000000, 0.0006522600000000 ] - [ -0.0000530600000000, -0.0001011300000000, -0.0001983400000000 ] - [ 0.0001731700000000, 0.0002645800000000, -0.0002863900000000 ] - [ 0.0013989900000000, 0.0025229500000000, -0.0039577600000000 ] - [ -0.0005485900000000, -0.0002037200000000, -0.0000930200000000 ] - [ -0.0000682000000000, 0.0001372800000000, 0.0002243200000000 ] - [ -0.0000580500000000, 0.0002679500000000, 0.0001794000000000 ] - [ -0.0001045700000000, -0.0000223000000000, 0.0003514600000000 ] - [ -0.0003702300000000, -0.0001409800000000, 0.0005353600000000 ] - [ -0.0000526600000000, 0.0001733100000000, -0.0004531400000000 ] - [ 0.0001033000000000, 0.0002076700000000, -0.0002566800000000 ] - [ 0.0000158600000000, -0.0000779700000000, 0.0003947700000000 ] - [ -0.0000381300000000, 0.0001574500000000, 0.0007006100000000 ] - [ -0.0000247200000000, 0.0000372500000000, -0.0002146000000000 ] - [ -0.0000466800000000, -0.0000947200000000, -0.0002152200000000 ] - [ 0.0006694200000000, -0.0080399700000000, -0.0073873500000000 ] - [ 0.0004698500000000, -0.0003388100000000, -0.0000236600000000 ] - [ -0.0001050600000000, -0.0000156900000000, 0.0002687300000000 ] - [ -0.0001486200000000, -0.0000880500000000, 0.0001485300000000 ] - [ 0.0001218400000000, 0.0001344600000000, 0.0003853600000000 ] - [ 0.0001594300000000, 0.0000291700000000, 0.0006698100000000 ] - [ 0.0002245200000000, -0.0000351300000000, -0.0002840700000000 ] - [ 0.0000112400000000, -0.0002235200000000, -0.0002283700000000 ] - [ 0.0006398300000000, 0.0003491800000000, 0.0007737100000000 ] - [ 0.0003697500000000, -0.0004057200000000, 0.0006388900000000 ] - [ -0.0000021200000000, 0.0000736400000000, 0.0000468100000000 ] - [ 0.0000225100000000, -0.0002127100000000, -0.0000408800000000 ] - [ -0.0001078700000000, -0.0001061600000000, 0.0001473600000000 ] - [ -0.0002253000000000, 0.0000504200000000, 0.0002725000000000 ] - [ 0.0003900100000000, -0.0003210700000000, -0.0005853500000000 ] - [ 0.0000198900000000, 0.0000489000000000, -0.0000328200000000 ] - [ 0.0007810700000000, 0.0002778700000000, -0.0003606100000000 ] - [ -0.0024654400000000, -0.0048406300000000, -0.0053297900000000 ] - [ -0.0002342000000000, -0.0000189000000000, 0.0004355300000000 ] - [ -0.0000743300000000, -0.0001217700000000, 0.0000707700000000 ] - [ 0.0002266800000000, -0.0000439700000000, 0.0008776900000000 ] - [ 0.0002135900000000, 0.0003506400000000, 0.0008207500000000 ] - [ 0.0002266000000000, -0.0002603200000000, 0.0000538400000000 ] - [ 0.0002112900000000, -0.0001400100000000, 0.0000761300000000 ] - [ 0.0000260600000000, -0.0000802300000000, 0.0002769800000000 ] - [ -0.0000747700000000, -0.0000489700000000, 0.0006944300000000 ] - [ 0.0000239200000000, -0.0000306200000000, -0.0001794600000000 ] - [ -0.0000402400000000, 0.0001048700000000, -0.0005614200000000 ] - [ -0.0001233100000000, 0.0002578500000000, -0.0007015100000000 ] - [ 0.0050543300000000, -0.0024355900000000, -0.0060388600000000 ] - [ 0.0003076200000000, 0.0002874500000000, 0.0002824400000000 ] - [ 0.0000305900000000, 0.0000410600000000, -0.0000191600000000 ] - [ 0.0001934400000000, -0.0002837200000000, 0.0002652500000000 ] - [ 0.0001940100000000, -0.0002056000000000, 0.0004405700000000 ] - [ -0.0002990300000000, 0.0000476800000000, -0.0005209600000000 ] - [ -0.0000098300000000, -0.0000169800000000, -0.0001463500000000 ] - [ -0.0000555300000000, -0.0001019000000000, 0.0007260700000000 ] - [ -0.0000528300000000, 0.0000905800000000, 0.0003059000000000 ] - [ 0.0000933200000000, 0.0000076400000000, -0.0006210800000000 ] - [ 0.0001210400000000, 0.0002226200000000, -0.0003522300000000 ] - [ 0.0000587900000000, 0.0001028700000000, 0.0005280000000000 ] - [ 0.0001097800000000, -0.0000146700000000, -0.0000189800000000 ] - [ -0.0001701000000000, 0.0000939700000000, -0.0003874100000000 ] - [ -0.0044415400000000, 0.0011693900000000, -0.0060195800000000 ] - [ 0.0000374100000000, -0.0000642900000000, -0.0001999500000000 ] - [ -0.0000170500000000, 0.0001188400000000, -0.0000202100000000 ] - [ -0.0000386700000000, 0.0011005300000000, 0.0013624200000000 ] - [ -0.0000115000000000, -0.0000427900000000, -0.0001396100000000 ] - [ 0.0000523900000000, -0.0000316200000000, -0.0001406500000000 ] - [ -0.0007435600000000, -0.0000818900000000, 0.0000011800000000 ] - [ 0.0000317200000000, -0.0000916200000000, 0.0001451600000000 ] - [ 0.0000553400000000, 0.0000238100000000, 0.0000372100000000 ] - [ -0.0002923100000000, 0.0004837500000000, -0.0009875400000000 ] - [ 0.0000585800000000, 0.0003153500000000, -0.0007880800000000 ] - [ -0.0003212500000000, -0.0001179300000000, 0.0002815500000000 ] - [ -0.0001196000000000, -0.0000068100000000, 0.0001436700000000 ] - [ -0.0004889400000000, 0.0005530500000000, 0.0002571400000000 ] - [ -0.0005882700000000, -0.0000463900000000, 0.0007660700000000 ] - [ 0.0001038600000000, 0.0000265600000000, 0.0003751700000000 ] - [ -0.0000090100000000, 0.0000208700000000, -0.0002656600000000 ] - [ 0.0000749800000000, 0.0001677500000000, -0.0011029900000000 ] - [ -0.0000463400000000, -0.0001616500000000, -0.0015069200000000 ] - [ 0.0000141000000000, 0.0001681200000000, 0.0003405700000000 ] - [ -0.0001256400000000, -0.0000342400000000, 0.0008035200000000 ] - [ 0.0002842200000000, 0.0000453800000000, -0.0006450400000000 ] - [ 0.0003282000000000, 0.0003255000000000, -0.0009446000000000 ] - [ -0.0002195400000000, -0.0001648100000000, 0.0003458500000000 ] - [ -0.0002170700000000, 0.0000517700000000, 0.0007303400000000 ] - [ -0.0031388800000000, -0.0010689300000000, -0.0017572900000000 ] - [ -0.0027019300000000, 0.0015696100000000, -0.0016958400000000 ] - [ -0.0000341500000000, 0.0000530100000000, -0.0001926900000000 ] - [ -0.0001569300000000, 0.0002319200000000, -0.0003904100000000 ] - [ 0.0028902800000000, -0.0020134700000000, -0.0007977500000000 ] - [ 0.0039901900000000, 0.0003047400000000, -0.0010040400000000 ] - [ -0.0000261000000000, -0.0001101700000000, -0.0001000000000000 ] - [ -0.0000043400000000, -0.0002627400000000, -0.0000593700000000 ] - [ -0.0000665200000000, 0.0000877900000000, -0.0003545600000000 ] - [ 0.0000962500000000, 0.0001730000000000, -0.0006301800000000 ] - [ -0.0000720800000000, 0.0003083800000000, 0.0005371100000000 ] - [ -0.0000363800000000, 0.0000448000000000, 0.0003808800000000 ] - [ -0.0002202100000000, -0.0002241900000000, -0.0001746600000000 ] - [ 0.0004340900000000, -0.0003629600000000, -0.0057444100000000 ] - [ -0.0000001900000000, 0.0000780700000000, -0.0000921700000000 ] - [ 0.0000134600000000, 0.0000048300000000, -0.0000117800000000 ] - [ 0.0000190000000000, -0.0001423400000000, -0.0003920900000000 ] - [ 0.0006259900000000, -0.0007112500000000, -0.0008310600000000 ] - [ 0.0001931100000000, 0.0002275000000000, -0.0001916000000000 ] - [ 0.0000408500000000, 0.0006107800000000, -0.0005824100000000 ] - [ -0.0000503500000000, -0.0005593400000000, 0.0018001700000000 ] - [ -0.0002198400000000, 0.0000179600000000, 0.0021228200000000 ] - [ 0.0000467500000000, -0.0001409500000000, -0.0003057300000000 ] - [ 0.0000664800000000, -0.0001439100000000, -0.0004348500000000 ] - [ 0.0001164800000000, 0.0003641800000000, -0.0002655000000000 ] - [ -0.0001978700000000, 0.0003511900000000, -0.0056226200000000 ] - [ 0.0001906700000000, -0.0003227900000000, -0.0000001700000000 ] - [ 0.0000431700000000, -0.0000256500000000, -0.0000736400000000 ] - [ -0.0005559300000000, 0.0088294400000000, 0.0441255600000000 ] - [ 0.0007303700000000, 0.0000980400000000, 0.0009164700000000 ] - [ 0.0001357300000000, 0.0000723600000000, -0.0003041600000000 ] - [ -0.0000089600000000, -0.0001800000000000, -0.0003501500000000 ] - [ 0.0000420500000000, -0.0008851800000000, -0.0007573300000000 ] - [ -0.0002351300000000, -0.0003680900000000, -0.0000053700000000 ] - [ -0.0005975500000000, 0.0007663000000000, -0.0006665200000000 ] - [ -0.0002174400000000, 0.0001564400000000, -0.0006338400000000 ] - [ 0.0001951100000000, -0.0000546200000000, 0.0021643200000000 ] - [ 0.0000247400000000, 0.0000071200000000, 0.0003900000000000 ] - [ 0.0000304200000000, 0.0000471400000000, -0.0005229000000000 ] - [ -0.0000769300000000, 0.0000017700000000, -0.0003795600000000 ]- atom: 121 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002017300000000, 0.0000333900000000, 0.0000523900000000 ] - [ 0.0001035700000000, -0.0000532100000000, 0.0000036600000000 ] - [ 0.0000699000000000, 0.0000501100000000, -0.0000296500000000 ] - [ 0.0024597000000000, 0.0017722400000000, 0.0024314600000000 ] - [ -0.0001096900000000, 0.0000799600000000, -0.0001801000000000 ] - [ 0.0000411800000000, -0.0000135000000000, 0.0000656600000000 ] - [ -0.0000262200000000, 0.0000313500000000, -0.0000762800000000 ] - [ 0.0029226900000000, 0.0029813900000000, -0.0032446500000000 ] - [ 0.0000967200000000, -0.0000040800000000, 0.0000163000000000 ] - [ -0.0001348300000000, -0.0001349300000000, 0.0001104000000000 ] - [ 0.0000915600000000, 0.0000991700000000, -0.0000236800000000 ] - [ -0.0009289300000000, -0.0000699700000000, -0.0000756500000000 ] - [ -0.0002667100000000, 0.0001100100000000, 0.0000532500000000 ] - [ -0.0000161100000000, -0.0000079700000000, -0.0001599100000000 ] - [ -0.0003925100000000, -0.0000885900000000, 0.0003329200000000 ] - [ 0.0003085400000000, 0.0000063800000000, -0.0000304800000000 ] - [ -0.0006890900000000, 0.0009435500000000, -0.0008345300000000 ] - [ -0.0000014300000000, 0.0000285100000000, -0.0000117900000000 ] - [ -0.0003832600000000, 0.0002133800000000, -0.0001936600000000 ] - [ 0.0000752500000000, -0.0000154600000000, 0.0002259600000000 ] - [ 0.0001223700000000, 0.0000434900000000, -0.0001131200000000 ] - [ -0.0001105500000000, 0.0007586800000000, 0.0009152600000000 ] - [ -0.0001254900000000, 0.0000804500000000, -0.0001843800000000 ] - [ -0.0003254900000000, 0.0002262000000000, 0.0001457300000000 ] - [ -0.0000429300000000, 0.0000169600000000, -0.0000165900000000 ] - [ 0.0026994200000000, 0.0008141400000000, -0.0010321800000000 ] - [ -0.0002210300000000, 0.0000398900000000, -0.0000029200000000 ] - [ 0.0003929500000000, 0.0000824800000000, -0.0001077300000000 ] - [ 0.0000089000000000, 0.0000868900000000, -0.0001109600000000 ] - [ 0.0006047500000000, 0.0007353300000000, 0.0001354800000000 ] - [ -0.0000364900000000, 0.0001935200000000, 0.0000035600000000 ] - [ -0.0000165300000000, -0.0007659300000000, 0.0001188400000000 ] - [ -0.0000047900000000, -0.0000611900000000, 0.0000712800000000 ] - [ -0.0003613200000000, -0.0004848200000000, 0.0001507600000000 ] - [ 0.0001886200000000, 0.0000345200000000, -0.0002380400000000 ] - [ -0.0001140200000000, -0.0000709800000000, 0.0000982100000000 ] - [ 0.0000847100000000, -0.0000458900000000, -0.0002506700000000 ] - [ 0.0020367900000000, 0.0004706800000000, 0.0008953700000000 ] - [ -0.0002567200000000, 0.0000409900000000, 0.0001568700000000 ] - [ 0.0002932900000000, 0.0001173200000000, 0.0002003700000000 ] - [ 0.0119503900000000, -0.0025426300000000, 0.0005368600000000 ] - [ -0.0001359900000000, 0.0000227300000000, -0.0000411200000000 ] - [ -0.0000256700000000, 0.0004993200000000, -0.0000497800000000 ] - [ 0.0000606000000000, 0.0000350000000000, 0.0000116700000000 ] - [ -0.0000182600000000, -0.0000802700000000, -0.0002363300000000 ] - [ 0.0002283300000000, -0.0001522100000000, 0.0003814400000000 ] - [ -0.0003701200000000, -0.0000767200000000, 0.0004169000000000 ] - [ -0.0001311800000000, 0.0003330900000000, -0.0004609400000000 ] - [ -0.0000294900000000, 0.0000337300000000, -0.0000933700000000 ] - [ 0.0000864700000000, 0.0030344500000000, 0.0017262200000000 ] - [ 0.0001401700000000, -0.0000181200000000, 0.0003379700000000 ] - [ -0.0002310700000000, -0.0000965800000000, -0.0003072900000000 ] - [ 0.0001093800000000, -0.0000062100000000, -0.0001012500000000 ] - [ -0.0000098300000000, -0.0000666400000000, 0.0002587000000000 ] - [ 0.0045807700000000, -0.0018301900000000, 0.0041045200000000 ] - [ -0.0001910000000000, 0.0000503800000000, 0.0000429100000000 ] - [ 0.0003104300000000, 0.0002745900000000, -0.0002600900000000 ] - [ -0.0000776100000000, 0.0001129600000000, -0.0001887900000000 ] - [ 0.0000560500000000, -0.0000647300000000, -0.0002242500000000 ] - [ -0.0003110200000000, 0.0002269300000000, 0.0007093000000000 ] - [ 0.0051552200000000, -0.0026262200000000, -0.0039750500000000 ] - [ 0.0000466600000000, -0.0001368100000000, -0.0002018600000000 ] - [ -0.0000253100000000, -0.0000329000000000, -0.0001816900000000 ] - [ -0.0001716800000000, -0.0002054800000000, -0.0000916900000000 ] - [ -0.0000116500000000, -0.0000580100000000, -0.0001471000000000 ] - [ 0.0005856100000000, 0.0017133800000000, -0.0005679700000000 ] - [ 0.0000407000000000, 0.0001087300000000, 0.0008938500000000 ] - [ -0.0000655500000000, 0.0000958600000000, -0.0001330900000000 ] - [ -0.0000328600000000, -0.0000303700000000, -0.0001403300000000 ] - [ 0.0072065700000000, 0.0013992600000000, 0.0010616700000000 ] - [ 0.0000587900000000, 0.0000000600000000, 0.0000203400000000 ] - [ 0.0000617000000000, -0.0000527100000000, -0.0000824800000000 ] - [ 0.0001797300000000, 0.0000268200000000, -0.0000233300000000 ] - [ -0.0008208200000000, -0.0019259400000000, -0.0007791400000000 ] - [ -0.0001673400000000, 0.0000112300000000, -0.0000803900000000 ] - [ -0.0007775900000000, -0.0003779700000000, -0.0002422300000000 ] - [ -0.0000088200000000, 0.0000641200000000, -0.0003058300000000 ] - [ -0.0000979200000000, -0.0000880100000000, 0.0003989300000000 ] - [ 0.0000478600000000, 0.0001478900000000, 0.0003084300000000 ] - [ -0.0006871000000000, -0.0004367100000000, -0.0000452800000000 ] - [ -0.0019527300000000, -0.0029545600000000, 0.0041414700000000 ] - [ 0.0000233200000000, -0.0000319800000000, -0.0000828900000000 ] - [ 0.0002234800000000, -0.0006834900000000, 0.0008663200000000 ] - [ 0.0001267500000000, 0.0000859500000000, -0.0001752900000000 ] - [ -0.0001032700000000, -0.0005464700000000, 0.0003828400000000 ] - [ 0.0001951200000000, 0.0001590900000000, -0.0001977600000000 ] - [ 0.0000318600000000, -0.0003184700000000, 0.0001271900000000 ] - [ 0.0027022400000000, -0.0000213300000000, -0.0013603600000000 ] - [ -0.0000624000000000, -0.0000342500000000, 0.0000461600000000 ] - [ -0.0011232200000000, -0.0036578800000000, -0.0033831500000000 ] - [ 0.0001877800000000, -0.0001779400000000, 0.0001505300000000 ] - [ 0.0002887700000000, -0.0006694600000000, -0.0012606300000000 ] - [ 0.0000221100000000, 0.0000273800000000, -0.0000116900000000 ] - [ -0.0002500300000000, 0.0004296200000000, -0.0006504100000000 ] - [ 0.0001645500000000, -0.0001256300000000, 0.0000079000000000 ] - [ 0.0032096100000000, 0.0007408000000000, 0.0004032800000000 ] - [ -0.0000305300000000, -0.0002310800000000, 0.0002988300000000 ] - [ -0.0002667000000000, 0.0001318700000000, -0.0000727100000000 ] - [ 0.0006246500000000, -0.0001889000000000, 0.0003577600000000 ] - [ -0.0002336400000000, 0.0007697200000000, -0.0004800200000000 ] - [ 0.0000213400000000, -0.0001012700000000, 0.0000776200000000 ] - [ -0.0007169500000000, 0.0019312500000000, -0.0001826700000000 ] - [ 0.0002128000000000, -0.0000518600000000, -0.0000024000000000 ] - [ -0.0003630600000000, 0.0024491100000000, -0.0001289400000000 ] - [ 0.0017832700000000, 0.0000045200000000, -0.0003540600000000 ] - [ -0.0001489900000000, -0.0000917400000000, -0.0000458400000000 ] - [ 0.0005092900000000, 0.0002061400000000, -0.0001367100000000 ] - [ -0.0001267700000000, -0.0000495700000000, 0.0001027600000000 ] - [ 0.0006738000000000, -0.0002693100000000, 0.0000388600000000 ] - [ -0.0001544200000000, -0.0000186700000000, 0.0000160500000000 ] - [ 0.0002605000000000, 0.0000093800000000, -0.0000151800000000 ] - [ -0.0016055700000000, -0.0001878200000000, 0.0007500800000000 ] - [ 0.0002768900000000, -0.0003703000000000, -0.0002456200000000 ] - [ -0.0001914500000000, -0.0000196900000000, 0.0001209100000000 ] - [ 0.0024008900000000, -0.0008977900000000, -0.0001306500000000 ] - [ -0.0000887300000000, 0.0001034100000000, -0.0000419100000000 ] - [ -0.0005796900000000, 0.0000047300000000, -0.0000665600000000 ] - [ 0.0003854300000000, -0.0002580500000000, -0.0002086500000000 ] - [ -0.0001816700000000, 0.0008908500000000, 0.0006239900000000 ] - [ 0.0007064300000000, -0.0002952300000000, -0.0002440900000000 ] - [ -0.0404008400000000, -0.0009046200000000, -0.0003956700000000 ] - [ 0.0000472900000000, -0.0000540400000000, 0.0000859500000000 ] - [ -0.0002943800000000, -0.0002250200000000, -0.0000477400000000 ] - [ 0.0002374100000000, -0.0001297000000000, 0.0000186900000000 ] - [ -0.0015670200000000, -0.0000400300000000, -0.0003353900000000 ] - [ 0.0002320500000000, 0.0000498600000000, -0.0000367300000000 ] - [ -0.0000599000000000, -0.0000541500000000, -0.0001053000000000 ] - [ 0.0006117500000000, 0.0001070600000000, 0.0002660600000000 ]- atom: 121 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000391900000000, -0.0000301300000000, -0.0000001600000000 ] - [ -0.0003472900000000, 0.0000497500000000, -0.0000561300000000 ] - [ 0.0001721100000000, -0.0000465700000000, -0.0000220400000000 ] - [ -0.0021610600000000, -0.0017033600000000, -0.0022962400000000 ] - [ 0.0000572800000000, -0.0001483600000000, 0.0001516300000000 ] - [ -0.0000950600000000, 0.0000822200000000, -0.0000378500000000 ] - [ 0.0000794000000000, -0.0000997900000000, 0.0001048600000000 ] - [ -0.0028286400000000, -0.0028313600000000, 0.0031222600000000 ] - [ 0.0000159500000000, -0.0000220300000000, -0.0000540400000000 ] - [ 0.0002476000000000, 0.0001626700000000, -0.0000749900000000 ] - [ -0.0002050600000000, -0.0001252500000000, 0.0000605300000000 ] - [ 0.0008165000000000, 0.0000923800000000, 0.0000364800000000 ] - [ -0.0000301100000000, 0.0000393400000000, 0.0000114600000000 ] - [ -0.0002796000000000, -0.0001405800000000, 0.0000949500000000 ] - [ 0.0006891700000000, 0.0002367200000000, -0.0003944900000000 ] - [ -0.0000132500000000, -0.0001558900000000, 0.0000967700000000 ] - [ 0.0006998400000000, -0.0009578000000000, 0.0007893100000000 ] - [ 0.0000128100000000, -0.0000123600000000, 0.0000555900000000 ] - [ 0.0003700700000000, -0.0002309500000000, 0.0002366500000000 ] - [ -0.0000876700000000, 0.0000318100000000, -0.0002699900000000 ] - [ 0.0000493000000000, 0.0000468300000000, -0.0000519200000000 ] - [ 0.0002829500000000, -0.0008429300000000, -0.0007449300000000 ] - [ -0.0000462800000000, 0.0000096600000000, 0.0003501400000000 ] - [ 0.0001534200000000, -0.0003177900000000, -0.0003107100000000 ] - [ 0.0000927000000000, 0.0000954500000000, 0.0000708000000000 ] - [ -0.0026469700000000, -0.0009273300000000, 0.0009755400000000 ] - [ 0.0001713300000000, 0.0000711800000000, -0.0000516000000000 ] - [ -0.0004423600000000, -0.0001949200000000, 0.0001629600000000 ] - [ -0.0000551900000000, 0.0003244500000000, 0.0001170700000000 ] - [ -0.0006443600000000, -0.0011396500000000, -0.0001402500000000 ] - [ 0.0000822100000000, 0.0002178000000000, -0.0000095000000000 ] - [ 0.0000604900000000, 0.0003793500000000, -0.0001140100000000 ] - [ -0.0001539100000000, 0.0000437300000000, 0.0001041200000000 ] - [ 0.0002053900000000, 0.0005051500000000, -0.0003305600000000 ] - [ -0.0000309800000000, -0.0000524100000000, 0.0000614300000000 ] - [ 0.0002723000000000, 0.0000887800000000, 0.0000778500000000 ] - [ 0.0001955300000000, 0.0001618100000000, -0.0000805600000000 ] - [ -0.0017544800000000, -0.0005903400000000, -0.0005572800000000 ] - [ -0.0000242500000000, 0.0000731700000000, 0.0001750200000000 ] - [ -0.0005744900000000, -0.0002341000000000, -0.0005343300000000 ] - [ -0.0118233500000000, 0.0022428500000000, -0.0004981200000000 ] - [ -0.0001399300000000, 0.0000692900000000, 0.0000419600000000 ] - [ 0.0003004600000000, -0.0005878800000000, 0.0000503500000000 ] - [ 0.0002147600000000, 0.0000565500000000, -0.0000120800000000 ] - [ 0.0000036300000000, 0.0000028400000000, -0.0001653900000000 ] - [ -0.0002380700000000, 0.0002283800000000, 0.0000219600000000 ] - [ 0.0003880600000000, 0.0000006700000000, -0.0000215300000000 ] - [ 0.0001459200000000, -0.0002586600000000, 0.0000636500000000 ] - [ -0.0000984200000000, 0.0000205200000000, -0.0002170700000000 ] - [ -0.0002360900000000, -0.0031071800000000, -0.0014274900000000 ] - [ -0.0000130700000000, 0.0000708200000000, -0.0000274400000000 ] - [ 0.0003592500000000, 0.0000419000000000, -0.0000033100000000 ] - [ 0.0000460600000000, -0.0001090400000000, 0.0000729800000000 ] - [ 0.0001658900000000, 0.0001831700000000, -0.0002322100000000 ] - [ -0.0048830500000000, 0.0017599300000000, -0.0042372000000000 ] - [ 0.0000341900000000, 0.0000648400000000, -0.0000693400000000 ] - [ -0.0004209300000000, -0.0004882600000000, 0.0005984300000000 ] - [ -0.0000356400000000, 0.0001039000000000, -0.0001517000000000 ] - [ 0.0000567500000000, -0.0001520900000000, -0.0001164000000000 ] - [ 0.0004234300000000, -0.0000120400000000, -0.0003691600000000 ] - [ -0.0050845000000000, 0.0027917200000000, 0.0043646000000000 ] - [ 0.0001561700000000, 0.0000172200000000, -0.0000218500000000 ] - [ -0.0001776200000000, 0.0001533000000000, -0.0000416900000000 ] - [ -0.0000317800000000, 0.0000857300000000, 0.0003148500000000 ] - [ 0.0000727100000000, -0.0000948800000000, -0.0002575500000000 ] - [ -0.0005412500000000, -0.0015593400000000, 0.0009864000000000 ] - [ -0.0001030700000000, -0.0002599600000000, -0.0004896900000000 ] - [ 0.0000045400000000, 0.0000566700000000, -0.0002721800000000 ] - [ -0.0000336200000000, -0.0000082100000000, -0.0000862400000000 ] - [ -0.0075458100000000, -0.0014636400000000, -0.0009267200000000 ] - [ 0.0000076400000000, -0.0000382400000000, 0.0002056300000000 ] - [ 0.0000050200000000, 0.0000911700000000, -0.0001445200000000 ] - [ 0.0001442300000000, 0.0000561100000000, -0.0000271600000000 ] - [ 0.0011505100000000, 0.0018571000000000, 0.0008356700000000 ] - [ -0.0001556100000000, 0.0000723600000000, 0.0001298500000000 ] - [ 0.0004614600000000, 0.0002988900000000, 0.0001943900000000 ] - [ -0.0000465400000000, 0.0000700400000000, -0.0002346600000000 ] - [ 0.0000413000000000, -0.0000460800000000, 0.0001400800000000 ] - [ 0.0000072600000000, -0.0000139500000000, 0.0002316300000000 ] - [ 0.0007436700000000, 0.0003007000000000, -0.0004955200000000 ] - [ 0.0020629500000000, 0.0031104500000000, -0.0036951300000000 ] - [ 0.0001137700000000, -0.0001450800000000, -0.0003355000000000 ] - [ -0.0003613800000000, 0.0008571800000000, -0.0012774300000000 ] - [ -0.0002630200000000, -0.0002599200000000, 0.0005952400000000 ] - [ 0.0004282800000000, 0.0003834400000000, -0.0000670200000000 ] - [ 0.0001325800000000, -0.0000006900000000, -0.0001187000000000 ] - [ -0.0003616500000000, 0.0001597300000000, -0.0004467300000000 ] - [ -0.0030324300000000, 0.0001922300000000, 0.0016664100000000 ] - [ 0.0001171900000000, -0.0002288300000000, -0.0002039600000000 ] - [ 0.0011476200000000, 0.0039028100000000, 0.0035117200000000 ] - [ -0.0002432300000000, -0.0000840400000000, 0.0000056800000000 ] - [ -0.0003479200000000, 0.0009307100000000, 0.0010986100000000 ] - [ -0.0000403400000000, 0.0000058500000000, -0.0000078700000000 ] - [ 0.0002350900000000, -0.0004675000000000, 0.0006774500000000 ] - [ -0.0001489500000000, 0.0001590700000000, 0.0000126200000000 ] - [ -0.0031930300000000, -0.0007610500000000, -0.0004086500000000 ] - [ 0.0000481600000000, 0.0001431600000000, -0.0001571500000000 ] - [ 0.0002923400000000, -0.0000438700000000, -0.0000711300000000 ] - [ -0.0006462900000000, 0.0001012000000000, -0.0004982000000000 ] - [ 0.0002170300000000, -0.0006841300000000, 0.0006204300000000 ] - [ -0.0001455100000000, -0.0000045600000000, -0.0000420200000000 ] - [ 0.0006065000000000, -0.0018300400000000, 0.0001480700000000 ] - [ -0.0000903400000000, -0.0000541100000000, -0.0000332300000000 ] - [ 0.0004838400000000, -0.0023396200000000, 0.0001659300000000 ] - [ -0.0019961800000000, 0.0001150800000000, 0.0004994600000000 ] - [ -0.0000642700000000, -0.0000282700000000, -0.0000990600000000 ] - [ -0.0002954500000000, -0.0000864100000000, -0.0000076000000000 ] - [ 0.0003406400000000, -0.0000708000000000, 0.0000417900000000 ] - [ -0.0007584100000000, 0.0002229300000000, -0.0000365700000000 ] - [ 0.0000711400000000, 0.0000678000000000, -0.0000206800000000 ] - [ -0.0001777500000000, -0.0000594400000000, 0.0000107900000000 ] - [ 0.0016896100000000, 0.0002332100000000, -0.0007596500000000 ] - [ -0.0003161400000000, 0.0003889700000000, 0.0001167300000000 ] - [ 0.0001540600000000, -0.0000000500000000, 0.0000086700000000 ] - [ -0.0023902200000000, 0.0009300100000000, 0.0002583700000000 ] - [ 0.0001270900000000, -0.0001235900000000, -0.0000876200000000 ] - [ 0.0004776300000000, 0.0002418200000000, 0.0001032200000000 ] - [ -0.0004994300000000, 0.0000118500000000, 0.0001726000000000 ] - [ 0.0002937700000000, -0.0006482000000000, -0.0006596100000000 ] - [ -0.0005981500000000, 0.0000510900000000, 0.0002794000000000 ] - [ 0.0404519800000000, 0.0011405400000000, 0.0003867700000000 ] - [ -0.0001430400000000, -0.0001222100000000, -0.0000293900000000 ] - [ 0.0003890800000000, 0.0003989900000000, 0.0001047000000000 ] - [ -0.0001423500000000, -0.0000457000000000, -0.0000755100000000 ] - [ 0.0016054800000000, 0.0000599400000000, 0.0005266200000000 ] - [ -0.0001964000000000, -0.0000745100000000, -0.0001442900000000 ] - [ 0.0000236000000000, 0.0000778100000000, -0.0000749000000000 ] - [ -0.0006482900000000, -0.0001288400000000, -0.0000837600000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001255300000000, 0.0000738700000000, -0.0000266900000000 ] - [ -0.0002025700000000, -0.0006158500000000, -0.0001214200000000 ] - [ 0.0000793100000000, -0.0000117700000000, -0.0000999200000000 ] - [ 0.0018115700000000, 0.0038723000000000, 0.0037798100000000 ] - [ 0.0001140400000000, -0.0001123400000000, 0.0001845600000000 ] - [ -0.0001890600000000, -0.0004274600000000, 0.0001450800000000 ] - [ 0.0000671200000000, -0.0000852600000000, 0.0001592600000000 ] - [ 0.0024114300000000, 0.0055495500000000, -0.0043325000000000 ] - [ 0.0001083900000000, 0.0000764300000000, -0.0003213500000000 ] - [ 0.0000626600000000, -0.0004593600000000, 0.0000769300000000 ] - [ -0.0000102200000000, -0.0001055500000000, -0.0000772800000000 ] - [ -0.0003147000000000, 0.0007707100000000, 0.0000583800000000 ] - [ -0.0001176000000000, -0.0002279000000000, 0.0000262200000000 ] - [ -0.0002263000000000, 0.0000170700000000, 0.0003065200000000 ] - [ 0.0000328000000000, 0.0005433600000000, 0.0001685300000000 ] - [ 0.0001350700000000, -0.0001720800000000, 0.0001577300000000 ] - [ 0.0000266700000000, -0.0002389500000000, 0.0003893400000000 ] - [ -0.0000064000000000, -0.0001940300000000, 0.0001195500000000 ] - [ 0.0004218000000000, -0.0001678100000000, 0.0005342900000000 ] - [ 0.0000969400000000, 0.0001557800000000, 0.0001925700000000 ] - [ 0.0001004900000000, -0.0001836400000000, -0.0001953000000000 ] - [ 0.0006876600000000, -0.0005686300000000, -0.0000915900000000 ] - [ -0.0000401100000000, 0.0002175700000000, -0.0000644600000000 ] - [ 0.0004085300000000, -0.0002871000000000, -0.0007045100000000 ] - [ 0.0000488700000000, -0.0000875700000000, 0.0000289700000000 ] - [ 0.0015906300000000, 0.0071701100000000, -0.0054108200000000 ] - [ -0.0000379200000000, 0.0002412500000000, 0.0000378100000000 ] - [ -0.0001034800000000, -0.0007421600000000, 0.0005340700000000 ] - [ -0.0000541000000000, 0.0001719300000000, 0.0000443400000000 ] - [ 0.0000574500000000, -0.0013460600000000, -0.0003115800000000 ] - [ 0.0000073000000000, 0.0002802200000000, 0.0000982800000000 ] - [ -0.0000480400000000, 0.0002832000000000, -0.0003031000000000 ] - [ -0.0000725300000000, -0.0001849000000000, 0.0001312300000000 ] - [ -0.0001976800000000, 0.0003236800000000, 0.0002838200000000 ] - [ 0.0000304800000000, 0.0001144000000000, -0.0000818000000000 ] - [ -0.0000414600000000, -0.0002384500000000, 0.0002288700000000 ] - [ 0.0001502300000000, -0.0000822200000000, -0.0001708800000000 ] - [ 0.0007188000000000, 0.0046455700000000, 0.0036030600000000 ] - [ -0.0001048900000000, 0.0002303600000000, 0.0002236700000000 ] - [ -0.0003223200000000, -0.0007636200000000, -0.0007394100000000 ] - [ -0.0040623300000000, 0.0018468100000000, -0.0005078400000000 ] - [ -0.0001641800000000, -0.0000675100000000, 0.0000188600000000 ] - [ 0.0004691900000000, -0.0012108400000000, 0.0000506700000000 ] - [ 0.0001067000000000, 0.0001637900000000, 0.0000856800000000 ] - [ -0.0001209500000000, -0.0002336700000000, -0.0001346200000000 ] - [ 0.0000602600000000, -0.0005245300000000, 0.0007088800000000 ] - [ -0.0004699100000000, 0.0000048100000000, 0.0008733500000000 ] - [ -0.0000692200000000, 0.0001968300000000, 0.0000279400000000 ] - [ -0.0002801600000000, 0.0003140600000000, 0.0001697100000000 ] - [ -0.0004163600000000, 0.0007903100000000, -0.0001523600000000 ] - [ -0.0000898300000000, -0.0001003800000000, 0.0003647000000000 ] - [ -0.0002691600000000, 0.0000608300000000, -0.0006723300000000 ] - [ 0.0000112900000000, -0.0003266600000000, 0.0001775200000000 ] - [ 0.0000561200000000, 0.0002009300000000, -0.0000029200000000 ] - [ -0.0020704000000000, 0.0007654000000000, -0.0016876300000000 ] - [ -0.0001105000000000, 0.0000368600000000, 0.0000367300000000 ] - [ 0.0005568000000000, 0.0000665200000000, 0.0011412900000000 ] - [ -0.0001168200000000, -0.0001185600000000, -0.0001477200000000 ] - [ 0.0000893700000000, -0.0003084300000000, 0.0001796400000000 ] - [ -0.0002910100000000, 0.0008617200000000, 0.0005903000000000 ] - [ -0.0026170400000000, 0.0020521600000000, 0.0020924700000000 ] - [ 0.0001262800000000, -0.0002430700000000, -0.0002048600000000 ] - [ -0.0002509800000000, 0.0000564700000000, 0.0001468900000000 ] - [ -0.0001723700000000, 0.0001216500000000, 0.0001282500000000 ] - [ -0.0000438900000000, 0.0000334000000000, -0.0001788600000000 ] - [ 0.0003730800000000, -0.0004756300000000, -0.0004657500000000 ] - [ -0.0001247300000000, -0.0002343600000000, 0.0000788800000000 ] - [ -0.0001413400000000, -0.0000268600000000, -0.0004602000000000 ] - [ 0.0000258000000000, -0.0002843500000000, -0.0002743400000000 ] - [ 0.0016607000000000, 0.0008242600000000, 0.0008193700000000 ] - [ 0.0000190300000000, 0.0001482800000000, 0.0000451800000000 ] - [ -0.0000106200000000, -0.0002905100000000, 0.0000414600000000 ] - [ 0.0003096000000000, -0.0002918500000000, -0.0002745000000000 ] - [ 0.0002403400000000, -0.0003280700000000, -0.0000934100000000 ] - [ -0.0001193600000000, 0.0002428400000000, -0.0001201700000000 ] - [ -0.0006100500000000, -0.0006448100000000, -0.0002733400000000 ] - [ -0.0000289100000000, -0.0000228600000000, -0.0002981700000000 ] - [ -0.0002117500000000, -0.0003299300000000, 0.0003140200000000 ] - [ -0.0000006300000000, 0.0001305700000000, 0.0002370300000000 ] - [ -0.0005525400000000, -0.0002636300000000, -0.0002591800000000 ] - [ -0.0023126100000000, 0.0026640600000000, -0.0018381400000000 ] - [ 0.0001421300000000, 0.0001323400000000, -0.0002934600000000 ] - [ -0.0006114200000000, 0.0016822700000000, -0.0028799800000000 ] - [ -0.0000487100000000, -0.0004532200000000, -0.0002251500000000 ] - [ 0.0001256000000000, 0.0001584500000000, -0.0005282000000000 ] - [ 0.0004080200000000, 0.0004079800000000, -0.0002848500000000 ] - [ -0.0000594600000000, 0.0000742500000000, -0.0003836500000000 ] - [ 0.0025093500000000, -0.0013435500000000, -0.0007884600000000 ] - [ 0.0001443900000000, -0.0000121500000000, -0.0000312300000000 ] - [ -0.0030890400000000, 0.0037540600000000, 0.0005199600000000 ] - [ 0.0001043300000000, -0.0003464600000000, 0.0000359600000000 ] - [ -0.0003928700000000, 0.0021067600000000, 0.0021972500000000 ] - [ -0.0001128400000000, 0.0000237300000000, 0.0001030500000000 ] - [ 0.0001865400000000, 0.0005589300000000, -0.0001013300000000 ] - [ 0.0000666300000000, 0.0000780300000000, 0.0000553500000000 ] - [ 0.0028813500000000, -0.0001361400000000, -0.0003060500000000 ] - [ -0.0001060200000000, 0.0003163300000000, -0.0000622400000000 ] - [ 0.0008182400000000, 0.0005914100000000, -0.0007966700000000 ] - [ 0.0001949600000000, -0.0002885800000000, -0.0002032100000000 ] - [ 0.0000527300000000, 0.0006457100000000, -0.0005407200000000 ] - [ -0.0000591800000000, 0.0000799200000000, -0.0000270300000000 ] - [ 0.0028069800000000, 0.0041106600000000, 0.0000827400000000 ] - [ 0.0000877000000000, -0.0001885400000000, -0.0000723200000000 ] - [ 0.0016719200000000, 0.0034845000000000, 0.0000844700000000 ] - [ -0.0008974300000000, -0.0000796600000000, -0.0001077500000000 ] - [ -0.0001441300000000, 0.0001067900000000, -0.0000946900000000 ] - [ -0.0002412100000000, 0.0005129400000000, -0.0000783900000000 ] - [ 0.0000560700000000, -0.0003511700000000, 0.0000233500000000 ] - [ 0.0000390200000000, -0.0006016600000000, 0.0003817900000000 ] - [ -0.0000410000000000, 0.0004978900000000, -0.0000947400000000 ] - [ 0.0000589700000000, 0.0004327600000000, 0.0002638700000000 ] - [ -0.0000334800000000, -0.0020386100000000, -0.0001969100000000 ] - [ -0.0002380400000000, 0.0007320600000000, -0.0001308200000000 ] - [ 0.0001290300000000, 0.0000286200000000, 0.0000335900000000 ] - [ -0.0008236300000000, -0.0008857800000000, -0.0000647000000000 ] - [ 0.0000749100000000, 0.0000578500000000, -0.0001020600000000 ] - [ 0.0005419500000000, 0.0007347900000000, 0.0009889800000000 ] - [ 0.0000503200000000, 0.0003531700000000, 0.0002627100000000 ] - [ -0.0000031000000000, 0.0005824400000000, 0.0006627900000000 ] - [ 0.0002723400000000, -0.0004544500000000, 0.0002588300000000 ] - [ -0.0011386900000000, -0.0373499200000000, 0.0035830700000000 ] - [ -0.0000773600000000, 0.0000511600000000, -0.0000062100000000 ] - [ 0.0003550900000000, 0.0010761100000000, 0.0000552300000000 ] - [ 0.0000015400000000, -0.0002120400000000, -0.0001132300000000 ] - [ -0.0003649700000000, -0.0018933100000000, 0.0003686700000000 ] - [ -0.0001114300000000, 0.0003193900000000, -0.0002356200000000 ] - [ -0.0000240500000000, 0.0005174300000000, 0.0000419600000000 ] - [ -0.0004922500000000, -0.0002641800000000, 0.0000032900000000 ]- atom: 121 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001164500000000, -0.0000702800000000, 0.0000783300000000 ] - [ -0.0000374700000000, 0.0006132600000000, 0.0000715300000000 ] - [ 0.0001622700000000, 0.0000159500000000, 0.0000479300000000 ] - [ -0.0014923900000000, -0.0038189100000000, -0.0036370100000000 ] - [ -0.0001671100000000, 0.0000440500000000, -0.0002135800000000 ] - [ 0.0001375000000000, 0.0004973500000000, -0.0001188700000000 ] - [ -0.0000139800000000, 0.0000172100000000, -0.0001303500000000 ] - [ -0.0022629000000000, -0.0054181100000000, 0.0041861800000000 ] - [ 0.0000047300000000, -0.0001020200000000, 0.0002848700000000 ] - [ 0.0000497700000000, 0.0004838800000000, -0.0000395400000000 ] - [ -0.0001025400000000, 0.0000810000000000, 0.0001138200000000 ] - [ 0.0001981400000000, -0.0007455700000000, -0.0000962600000000 ] - [ -0.0001788000000000, 0.0003762600000000, 0.0000384700000000 ] - [ -0.0000692200000000, -0.0001660300000000, -0.0003730600000000 ] - [ 0.0002621200000000, -0.0003947700000000, -0.0002312400000000 ] - [ 0.0001606100000000, 0.0000234300000000, -0.0000916000000000 ] - [ -0.0000108300000000, 0.0002188000000000, -0.0004308300000000 ] - [ 0.0000186200000000, 0.0002102800000000, -0.0000762700000000 ] - [ -0.0004312800000000, 0.0001510600000000, -0.0004877200000000 ] - [ -0.0001091700000000, -0.0001393300000000, -0.0002361200000000 ] - [ 0.0000720100000000, 0.0002738600000000, 0.0000300100000000 ] - [ -0.0005172800000000, 0.0004790400000000, 0.0002549000000000 ] - [ -0.0001320100000000, -0.0001272800000000, 0.0002292200000000 ] - [ -0.0005757200000000, 0.0001953400000000, 0.0005350200000000 ] - [ 0.0000009300000000, 0.0001995200000000, 0.0000248000000000 ] - [ -0.0015686200000000, -0.0075023400000000, 0.0056054300000000 ] - [ -0.0000124000000000, -0.0001299500000000, -0.0000923400000000 ] - [ 0.0000541600000000, 0.0006267500000000, -0.0004749100000000 ] - [ 0.0000083100000000, 0.0002389400000000, -0.0000388200000000 ] - [ -0.0001047700000000, 0.0009336300000000, 0.0003095300000000 ] - [ 0.0000382900000000, 0.0001312300000000, -0.0001044300000000 ] - [ 0.0000434700000000, -0.0005800000000000, 0.0003124200000000 ] - [ -0.0000862200000000, 0.0001682600000000, 0.0000436400000000 ] - [ 0.0000412700000000, -0.0003091400000000, -0.0004593800000000 ] - [ 0.0001284100000000, -0.0001312500000000, -0.0000954800000000 ] - [ 0.0001990600000000, 0.0002554300000000, -0.0000515300000000 ] - [ 0.0001301300000000, 0.0001966600000000, -0.0001616200000000 ] - [ -0.0004414400000000, -0.0049241800000000, -0.0034422100000000 ] - [ -0.0001764800000000, -0.0001162900000000, 0.0001081600000000 ] - [ 0.0000406400000000, 0.0006439100000000, 0.0004025900000000 ] - [ 0.0038790200000000, -0.0019672000000000, 0.0005174600000000 ] - [ -0.0001112600000000, 0.0001595500000000, -0.0000185900000000 ] - [ -0.0001933800000000, 0.0011199600000000, -0.0000502500000000 ] - [ 0.0001686000000000, -0.0000722500000000, -0.0000859900000000 ] - [ 0.0001075600000000, 0.0001549500000000, -0.0002666500000000 ] - [ -0.0000699800000000, 0.0005977500000000, -0.0003062100000000 ] - [ 0.0004867800000000, -0.0000809700000000, -0.0004768700000000 ] - [ 0.0000817500000000, -0.0001194100000000, -0.0004265400000000 ] - [ 0.0001518600000000, -0.0002598700000000, -0.0004801000000000 ] - [ 0.0002829400000000, -0.0008264800000000, 0.0004701800000000 ] - [ 0.0002173100000000, 0.0001530700000000, -0.0000526200000000 ] - [ 0.0003969800000000, -0.0001152300000000, 0.0003610800000000 ] - [ 0.0001435200000000, 0.0002117100000000, -0.0002057300000000 ] - [ 0.0000997800000000, -0.0000852400000000, 0.0000306900000000 ] - [ 0.0019015600000000, -0.0008858000000000, 0.0017100500000000 ] - [ -0.0000460300000000, 0.0000782800000000, -0.0000629300000000 ] - [ -0.0006732500000000, -0.0002827700000000, -0.0008071700000000 ] - [ 0.0000042300000000, 0.0003351600000000, -0.0001937400000000 ] - [ 0.0000238700000000, 0.0000914900000000, -0.0005183100000000 ] - [ 0.0004011600000000, -0.0006449500000000, -0.0002467100000000 ] - [ 0.0027994000000000, -0.0019456500000000, -0.0018505700000000 ] - [ 0.0000769100000000, 0.0001234400000000, -0.0000189600000000 ] - [ 0.0000473700000000, 0.0000628600000000, -0.0003699800000000 ] - [ -0.0000305700000000, -0.0002414700000000, 0.0000943300000000 ] - [ 0.0001052400000000, -0.0001860300000000, -0.0002258600000000 ] - [ -0.0003119300000000, 0.0006390400000000, 0.0008675600000000 ] - [ 0.0000629100000000, 0.0000827200000000, 0.0003287200000000 ] - [ 0.0000801200000000, 0.0001802300000000, 0.0000546600000000 ] - [ -0.0000922000000000, 0.0002459600000000, 0.0000476800000000 ] - [ -0.0017504400000000, -0.0008060700000000, -0.0006097000000000 ] - [ 0.0000479700000000, -0.0001860700000000, 0.0001802500000000 ] - [ 0.0000769500000000, 0.0003278600000000, -0.0002692100000000 ] - [ 0.0000140600000000, 0.0003745900000000, 0.0002238800000000 ] - [ 0.0000784600000000, 0.0002348400000000, 0.0001403800000000 ] - [ -0.0002040200000000, -0.0001596200000000, 0.0001694000000000 ] - [ 0.0002922900000000, 0.0005650800000000, 0.0002248000000000 ] - [ -0.0000263100000000, 0.0001571200000000, -0.0002426400000000 ] - [ 0.0001588800000000, 0.0001957000000000, 0.0002263000000000 ] - [ 0.0000560400000000, 0.0000038300000000, 0.0003037100000000 ] - [ 0.0006068100000000, 0.0001297700000000, -0.0002813700000000 ] - [ 0.0024601100000000, -0.0024935500000000, 0.0022627300000000 ] - [ -0.0000053800000000, -0.0003074900000000, -0.0001250600000000 ] - [ 0.0004692100000000, -0.0014954200000000, 0.0024509900000000 ] - [ -0.0000871500000000, 0.0002797900000000, 0.0006436500000000 ] - [ 0.0002004400000000, -0.0003210000000000, 0.0008473000000000 ] - [ -0.0000825300000000, -0.0002474100000000, -0.0000309900000000 ] - [ -0.0002685000000000, -0.0002343100000000, 0.0000652000000000 ] - [ -0.0028366500000000, 0.0015120200000000, 0.0011027800000000 ] - [ -0.0000905500000000, -0.0002499400000000, -0.0001239400000000 ] - [ 0.0031725800000000, -0.0035133900000000, -0.0003768200000000 ] - [ -0.0001589600000000, 0.0000846100000000, 0.0001200300000000 ] - [ 0.0003325600000000, -0.0018257800000000, -0.0023483300000000 ] - [ 0.0000968200000000, 0.0000090000000000, -0.0001234700000000 ] - [ -0.0002064000000000, -0.0005884100000000, 0.0001184000000000 ] - [ -0.0000501700000000, -0.0000455400000000, -0.0000343400000000 ] - [ -0.0028655600000000, 0.0001113300000000, 0.0002884300000000 ] - [ 0.0001253500000000, -0.0004033100000000, 0.0002032900000000 ] - [ -0.0007984000000000, -0.0005050300000000, 0.0006584200000000 ] - [ -0.0002136000000000, 0.0001995000000000, 0.0000645200000000 ] - [ -0.0000694800000000, -0.0005596300000000, 0.0006799200000000 ] - [ -0.0000641300000000, -0.0001856900000000, 0.0000632900000000 ] - [ -0.0029681900000000, -0.0040558200000000, -0.0001213900000000 ] - [ 0.0000357300000000, 0.0000825500000000, 0.0000366200000000 ] - [ -0.0015233800000000, -0.0033379100000000, -0.0000465100000000 ] - [ 0.0006843000000000, 0.0001991500000000, 0.0002518600000000 ] - [ -0.0000693100000000, -0.0002269400000000, -0.0000500800000000 ] - [ 0.0004539800000000, -0.0003918100000000, -0.0000668700000000 ] - [ 0.0001569300000000, 0.0002315000000000, 0.0001213000000000 ] - [ -0.0001188900000000, 0.0005515800000000, -0.0003769800000000 ] - [ -0.0000421600000000, -0.0004474000000000, 0.0000886600000000 ] - [ 0.0000238000000000, -0.0004816300000000, -0.0002669700000000 ] - [ 0.0001128400000000, 0.0020918100000000, 0.0001867900000000 ] - [ 0.0002011500000000, -0.0007123900000000, 0.0000018800000000 ] - [ -0.0001674600000000, -0.0000484500000000, 0.0000962200000000 ] - [ 0.0008597300000000, 0.0008967100000000, 0.0001937100000000 ] - [ -0.0000369600000000, -0.0000774700000000, -0.0000274200000000 ] - [ -0.0006520700000000, -0.0004918800000000, -0.0009565000000000 ] - [ -0.0001582400000000, -0.0005979200000000, -0.0002991100000000 ] - [ 0.0001138900000000, -0.0003401600000000, -0.0006976300000000 ] - [ -0.0001594600000000, 0.0002072800000000, -0.0002257900000000 ] - [ 0.0009004200000000, 0.0377350800000000, -0.0036811100000000 ] - [ -0.0000181000000000, -0.0002270900000000, 0.0000631200000000 ] - [ -0.0002595400000000, -0.0008997400000000, 0.0000013500000000 ] - [ 0.0000946800000000, 0.0000363300000000, 0.0000567500000000 ] - [ 0.0003988800000000, 0.0019195800000000, -0.0001762500000000 ] - [ 0.0001475300000000, -0.0003424700000000, 0.0000536700000000 ] - [ -0.0000124200000000, -0.0004934800000000, -0.0002205300000000 ] - [ 0.0004583100000000, 0.0002411100000000, 0.0001770600000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001477400000000, -0.0001341400000000, -0.0001763000000000 ] - [ -0.0002063200000000, -0.0001199800000000, 0.0002159000000000 ] - [ 0.0001529700000000, -0.0000904000000000, -0.0003070100000000 ] - [ 0.0018570700000000, 0.0031887100000000, 0.0061616400000000 ] - [ -0.0001997900000000, 0.0001314500000000, -0.0003368600000000 ] - [ 0.0000959400000000, 0.0001599400000000, 0.0001520300000000 ] - [ 0.0000298500000000, 0.0001655100000000, -0.0001640100000000 ] - [ -0.0026351300000000, -0.0047009600000000, 0.0053788600000000 ] - [ 0.0001152500000000, -0.0003145300000000, -0.0005270600000000 ] - [ 0.0000141200000000, -0.0000065400000000, 0.0002185400000000 ] - [ -0.0000747500000000, -0.0001548100000000, -0.0002484700000000 ] - [ -0.0003837700000000, 0.0000183900000000, 0.0003382600000000 ] - [ -0.0001376700000000, 0.0000568700000000, 0.0000983000000000 ] - [ -0.0001545100000000, 0.0001155000000000, -0.0005704300000000 ] - [ 0.0003532800000000, 0.0001338300000000, 0.0001156700000000 ] - [ 0.0000917800000000, 0.0000712600000000, -0.0001653600000000 ] - [ 0.0003661500000000, -0.0002476800000000, 0.0004012900000000 ] - [ 0.0000208300000000, 0.0001287900000000, -0.0001777200000000 ] - [ -0.0000989600000000, 0.0001096700000000, 0.0003145500000000 ] - [ 0.0000662600000000, 0.0001923800000000, -0.0006527500000000 ] - [ 0.0000670500000000, -0.0000785100000000, -0.0002799400000000 ] - [ 0.0003197400000000, -0.0000462600000000, 0.0008244900000000 ] - [ -0.0002943400000000, -0.0000541100000000, -0.0004864000000000 ] - [ -0.0001879400000000, -0.0001332700000000, 0.0001824600000000 ] - [ 0.0000372700000000, 0.0000696500000000, -0.0001484400000000 ] - [ -0.0017237700000000, -0.0050317500000000, 0.0067871100000000 ] - [ 0.0000549600000000, 0.0000221500000000, -0.0004795500000000 ] - [ -0.0000376100000000, 0.0000399800000000, 0.0003996400000000 ] - [ -0.0000234300000000, 0.0001096100000000, -0.0002515100000000 ] - [ 0.0000741000000000, 0.0003098300000000, 0.0015063600000000 ] - [ 0.0000136500000000, 0.0002811300000000, -0.0004412600000000 ] - [ 0.0003791100000000, -0.0009447700000000, 0.0009811500000000 ] - [ -0.0001193100000000, 0.0000690300000000, -0.0000339000000000 ] - [ 0.0001400800000000, 0.0001922700000000, 0.0004370500000000 ] - [ -0.0001131600000000, -0.0000607200000000, -0.0004978700000000 ] - [ 0.0000579700000000, 0.0002402800000000, 0.0001415100000000 ] - [ 0.0001807600000000, 0.0000674400000000, -0.0003091000000000 ] - [ 0.0011617300000000, 0.0028506800000000, 0.0060886100000000 ] - [ -0.0000188600000000, 0.0000053800000000, -0.0001868300000000 ] - [ 0.0000450800000000, -0.0000458200000000, 0.0001074700000000 ] - [ 0.0005442200000000, -0.0005793500000000, 0.0023770600000000 ] - [ -0.0001368600000000, 0.0000753300000000, -0.0001686200000000 ] - [ 0.0001261100000000, -0.0000184900000000, 0.0001385800000000 ] - [ 0.0001315700000000, 0.0000339700000000, -0.0004624300000000 ] - [ 0.0000458100000000, 0.0000932100000000, -0.0002798300000000 ] - [ -0.0001797400000000, 0.0006632300000000, -0.0002002900000000 ] - [ 0.0005180800000000, 0.0003948200000000, -0.0006762400000000 ] - [ -0.0002402900000000, 0.0004343400000000, -0.0001705500000000 ] - [ -0.0001521200000000, 0.0002771300000000, 0.0000131000000000 ] - [ -0.0002699300000000, 0.0002628800000000, 0.0008095300000000 ] - [ 0.0001519100000000, -0.0002406700000000, -0.0001529100000000 ] - [ -0.0002361100000000, 0.0001485300000000, -0.0003890900000000 ] - [ 0.0001397100000000, -0.0002182000000000, -0.0000068800000000 ] - [ 0.0001800000000000, 0.0001055500000000, -0.0004636200000000 ] - [ 0.0039021900000000, -0.0016224800000000, 0.0059692100000000 ] - [ 0.0000384500000000, -0.0000088800000000, -0.0000259900000000 ] - [ -0.0005485700000000, 0.0000251500000000, -0.0003095100000000 ] - [ -0.0000593700000000, 0.0001161000000000, -0.0002311000000000 ] - [ 0.0000306500000000, -0.0000447500000000, 0.0000039600000000 ] - [ 0.0005186900000000, 0.0000534500000000, -0.0007083000000000 ] - [ -0.0037047800000000, 0.0019391500000000, 0.0043342700000000 ] - [ 0.0001033100000000, -0.0001888400000000, -0.0002003000000000 ] - [ -0.0000715800000000, -0.0000516800000000, -0.0001508000000000 ] - [ -0.0002197000000000, -0.0000675800000000, -0.0002158200000000 ] - [ -0.0000034600000000, -0.0000380000000000, -0.0003291900000000 ] - [ -0.0003344900000000, -0.0014514900000000, 0.0014021000000000 ] - [ 0.0000178200000000, 0.0000459600000000, 0.0005175500000000 ] - [ -0.0000178300000000, 0.0001339900000000, -0.0000150400000000 ] - [ 0.0000360200000000, -0.0001152800000000, -0.0003063700000000 ] - [ 0.0009687800000000, 0.0006270800000000, -0.0003699900000000 ] - [ 0.0001203400000000, 0.0000712000000000, 0.0002130100000000 ] - [ 0.0000921200000000, -0.0001327000000000, 0.0000962500000000 ] - [ 0.0002720600000000, -0.0001663000000000, -0.0002477600000000 ] - [ 0.0000353600000000, -0.0005107800000000, -0.0000915000000000 ] - [ 0.0000431900000000, -0.0000550700000000, -0.0003589700000000 ] - [ -0.0009728200000000, -0.0008062100000000, -0.0001662800000000 ] - [ -0.0000275600000000, -0.0000288200000000, -0.0006092600000000 ] - [ -0.0000958300000000, -0.0000199800000000, 0.0008176300000000 ] - [ 0.0000087300000000, 0.0001162900000000, -0.0002520400000000 ] - [ -0.0002181600000000, -0.0004035600000000, 0.0010395600000000 ] - [ 0.0032258400000000, -0.0014097200000000, -0.0007205500000000 ] - [ 0.0000042200000000, -0.0001422000000000, 0.0001492700000000 ] - [ -0.0001842100000000, 0.0003125100000000, -0.0012692400000000 ] - [ -0.0001667300000000, -0.0003148900000000, 0.0015214000000000 ] - [ 0.0001718200000000, -0.0004279600000000, 0.0009323700000000 ] - [ 0.0000242000000000, 0.0000710100000000, -0.0002095600000000 ] - [ -0.0001454100000000, -0.0003642600000000, 0.0001824700000000 ] - [ -0.0031873400000000, 0.0006368100000000, 0.0013558500000000 ] - [ 0.0000796600000000, -0.0001136600000000, 0.0001663300000000 ] - [ -0.0035819000000000, 0.0015174500000000, -0.0030158600000000 ] - [ 0.0000489900000000, -0.0001405900000000, 0.0006644800000000 ] - [ -0.0000147100000000, -0.0000696300000000, -0.0004777900000000 ] - [ -0.0000607000000000, 0.0003324600000000, 0.0003297700000000 ] - [ 0.0001024000000000, 0.0001951300000000, -0.0006108700000000 ] - [ 0.0000371100000000, 0.0001673100000000, 0.0006054700000000 ] - [ 0.0038696000000000, 0.0007767100000000, -0.0009813400000000 ] - [ 0.0001698500000000, -0.0001824000000000, 0.0000263600000000 ] - [ -0.0005050900000000, -0.0006043800000000, 0.0006817100000000 ] - [ 0.0000326000000000, -0.0003775200000000, 0.0004492100000000 ] - [ 0.0001568000000000, -0.0009437100000000, 0.0007026000000000 ] - [ -0.0000903000000000, -0.0001206900000000, 0.0002670400000000 ] - [ -0.0001518100000000, 0.0002088600000000, -0.0022287000000000 ] - [ -0.0000024900000000, -0.0000467300000000, 0.0004495400000000 ] - [ -0.0000723800000000, 0.0002092000000000, -0.0018423500000000 ] - [ 0.0003486100000000, 0.0001965800000000, -0.0007689300000000 ] - [ -0.0000657400000000, -0.0000996300000000, 0.0001660800000000 ] - [ 0.0002041700000000, 0.0000970000000000, -0.0002507200000000 ] - [ 0.0002039100000000, 0.0000051600000000, 0.0005897300000000 ] - [ -0.0000978100000000, 0.0002611600000000, 0.0001995000000000 ] - [ -0.0001155300000000, 0.0000208400000000, -0.0000570500000000 ] - [ 0.0001150100000000, 0.0001433400000000, 0.0000356600000000 ] - [ -0.0002712500000000, 0.0002320900000000, 0.0058369100000000 ] - [ 0.0000543000000000, 0.0001289500000000, -0.0002406700000000 ] - [ -0.0000251100000000, -0.0000459200000000, 0.0004772600000000 ] - [ 0.0000888300000000, -0.0001862600000000, -0.0016572300000000 ] - [ 0.0000409600000000, -0.0000295100000000, 0.0002943100000000 ] - [ 0.0003229800000000, 0.0006973800000000, 0.0007470100000000 ] - [ 0.0000179000000000, 0.0000604100000000, 0.0000155100000000 ] - [ -0.0000404900000000, 0.0008487600000000, 0.0006773200000000 ] - [ -0.0001959400000000, 0.0002817000000000, 0.0006243900000000 ] - [ -0.0003733700000000, 0.0037211700000000, -0.0443393800000000 ] - [ -0.0001022600000000, -0.0001206400000000, 0.0002889500000000 ] - [ -0.0000320700000000, 0.0000586200000000, -0.0001647400000000 ] - [ -0.0000021700000000, -0.0000014700000000, 0.0004368400000000 ] - [ 0.0005327400000000, -0.0001969900000000, 0.0053760000000000 ] - [ 0.0000493500000000, -0.0002263000000000, -0.0001839800000000 ] - [ -0.0000418700000000, -0.0001590600000000, -0.0000661900000000 ] - [ -0.0000489900000000, -0.0002702500000000, 0.0002525700000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000961800000000, 0.0001401700000000, 0.0002289800000000 ] - [ -0.0000367500000000, 0.0001144900000000, -0.0002690200000000 ] - [ 0.0000917700000000, 0.0000955900000000, 0.0002540100000000 ] - [ -0.0014934200000000, -0.0030693100000000, -0.0059910500000000 ] - [ 0.0001447500000000, -0.0001968700000000, 0.0003078800000000 ] - [ -0.0001506700000000, -0.0000932600000000, -0.0001230900000000 ] - [ 0.0000248300000000, -0.0002313800000000, 0.0001925900000000 ] - [ 0.0028177800000000, 0.0049087600000000, -0.0055346400000000 ] - [ -0.0000000700000000, 0.0002921100000000, 0.0004928200000000 ] - [ 0.0001005800000000, 0.0000310900000000, -0.0001831600000000 ] - [ -0.0000408900000000, 0.0001293900000000, 0.0002838600000000 ] - [ 0.0002674900000000, 0.0000069100000000, -0.0003738000000000 ] - [ -0.0001557300000000, 0.0000910100000000, -0.0000325100000000 ] - [ -0.0001388200000000, -0.0002609000000000, 0.0005028400000000 ] - [ -0.0000624800000000, 0.0000153400000000, -0.0001801500000000 ] - [ 0.0002014500000000, -0.0002199100000000, 0.0002313800000000 ] - [ -0.0003575400000000, 0.0002306300000000, -0.0004406300000000 ] - [ -0.0000154300000000, -0.0001167600000000, 0.0002221900000000 ] - [ 0.0000911000000000, -0.0001228600000000, -0.0002724100000000 ] - [ -0.0000729600000000, -0.0001824200000000, 0.0006111400000000 ] - [ 0.0001016800000000, 0.0001659100000000, 0.0001146900000000 ] - [ -0.0001514500000000, -0.0000428000000000, -0.0006631000000000 ] - [ 0.0001243400000000, 0.0001401800000000, 0.0006491200000000 ] - [ 0.0000180300000000, 0.0000451900000000, -0.0003448300000000 ] - [ 0.0000202400000000, 0.0000446100000000, 0.0002024600000000 ] - [ 0.0017552800000000, 0.0047098600000000, -0.0066830500000000 ] - [ -0.0001129700000000, 0.0000911800000000, 0.0004256200000000 ] - [ -0.0000179900000000, -0.0001538800000000, -0.0003460700000000 ] - [ -0.0000232500000000, 0.0003019800000000, 0.0002603800000000 ] - [ -0.0001267200000000, -0.0007188300000000, -0.0015147700000000 ] - [ 0.0000321700000000, 0.0001297000000000, 0.0004324800000000 ] - [ -0.0003321900000000, 0.0005361000000000, -0.0009658000000000 ] - [ -0.0000381100000000, -0.0000887800000000, 0.0002083500000000 ] - [ -0.0002950400000000, -0.0001716600000000, -0.0006139900000000 ] - [ 0.0002731600000000, 0.0000404800000000, 0.0003234700000000 ] - [ 0.0000984100000000, -0.0002202000000000, 0.0000330200000000 ] - [ 0.0001031100000000, 0.0000475900000000, -0.0000229200000000 ] - [ -0.0008851000000000, -0.0031317700000000, -0.0058981400000000 ] - [ -0.0002655600000000, 0.0001096300000000, 0.0005183400000000 ] - [ -0.0003276700000000, -0.0000698400000000, -0.0004378100000000 ] - [ -0.0008274500000000, 0.0004845700000000, -0.0023835800000000 ] - [ -0.0001379200000000, 0.0000134000000000, 0.0001731700000000 ] - [ 0.0001463800000000, -0.0000645500000000, -0.0001346200000000 ] - [ 0.0001427300000000, 0.0000544000000000, 0.0004583000000000 ] - [ -0.0000598600000000, -0.0001711100000000, -0.0001234400000000 ] - [ 0.0001685500000000, -0.0005864600000000, 0.0006060600000000 ] - [ -0.0005017200000000, -0.0004720100000000, 0.0010757700000000 ] - [ 0.0002555900000000, -0.0003571800000000, -0.0002337500000000 ] - [ 0.0000267000000000, -0.0002268500000000, -0.0003258900000000 ] - [ 0.0001393200000000, -0.0002973100000000, -0.0004927600000000 ] - [ -0.0000251800000000, 0.0002885700000000, 0.0004649900000000 ] - [ 0.0003608900000000, -0.0001989500000000, 0.0000760400000000 ] - [ 0.0000166200000000, 0.0001004800000000, -0.0000228000000000 ] - [ -0.0000232800000000, 0.0000130900000000, 0.0004922200000000 ] - [ -0.0042355600000000, 0.0015579200000000, -0.0060931400000000 ] - [ -0.0001958200000000, 0.0001265000000000, -0.0000017700000000 ] - [ 0.0004339000000000, -0.0002376400000000, 0.0006527000000000 ] - [ -0.0000525700000000, 0.0000988300000000, -0.0001122000000000 ] - [ 0.0000813400000000, -0.0001710600000000, -0.0003475700000000 ] - [ -0.0004104400000000, 0.0001604400000000, 0.0010538700000000 ] - [ 0.0037479400000000, -0.0017862300000000, -0.0039722200000000 ] - [ 0.0000991900000000, 0.0000707400000000, -0.0000252000000000 ] - [ -0.0001311000000000, 0.0001688400000000, -0.0000751700000000 ] - [ 0.0000179700000000, -0.0000508700000000, 0.0004404200000000 ] - [ 0.0000650700000000, -0.0001157800000000, -0.0000791900000000 ] - [ 0.0003789600000000, 0.0016069800000000, -0.0009731200000000 ] - [ -0.0000810100000000, -0.0001973600000000, -0.0001061100000000 ] - [ -0.0000437800000000, 0.0000199100000000, -0.0003934600000000 ] - [ -0.0001030000000000, 0.0000783500000000, 0.0000816300000000 ] - [ -0.0010308800000000, -0.0006001500000000, 0.0005944700000000 ] - [ -0.0000524700000000, -0.0001076400000000, 0.0000108300000000 ] - [ -0.0000246700000000, 0.0001695400000000, -0.0003208600000000 ] - [ 0.0000513800000000, 0.0002528100000000, 0.0001936500000000 ] - [ 0.0002857600000000, 0.0004171900000000, 0.0001425900000000 ] - [ -0.0003652400000000, 0.0001399100000000, 0.0004100900000000 ] - [ 0.0006537900000000, 0.0007211600000000, 0.0001141400000000 ] - [ -0.0000277400000000, 0.0001650800000000, 0.0000697700000000 ] - [ 0.0000405000000000, -0.0001158200000000, -0.0002777200000000 ] - [ 0.0000465500000000, 0.0000189800000000, 0.0007905300000000 ] - [ 0.0002674700000000, 0.0002639500000000, -0.0015803300000000 ] - [ -0.0030727000000000, 0.0015916800000000, 0.0011295300000000 ] - [ 0.0001362100000000, -0.0000379000000000, -0.0005702800000000 ] - [ 0.0000450700000000, -0.0001349000000000, 0.0008614200000000 ] - [ 0.0000287200000000, 0.0001376800000000, -0.0011019500000000 ] - [ 0.0001584300000000, 0.0002679800000000, -0.0006196400000000 ] - [ 0.0003050300000000, 0.0000856500000000, -0.0001017800000000 ] - [ -0.0001855700000000, 0.0002074700000000, -0.0004950200000000 ] - [ 0.0028648000000000, -0.0004733400000000, -0.0010542100000000 ] - [ -0.0000232800000000, -0.0001494000000000, -0.0003240800000000 ] - [ 0.0036490100000000, -0.0012446000000000, 0.0031935700000000 ] - [ -0.0001046100000000, -0.0001225500000000, -0.0005054200000000 ] - [ -0.0000423600000000, 0.0003289800000000, 0.0003067300000000 ] - [ 0.0000480000000000, -0.0003035000000000, -0.0003467500000000 ] - [ -0.0001169800000000, -0.0002244700000000, 0.0006261500000000 ] - [ -0.0000240600000000, -0.0001356200000000, -0.0005858000000000 ] - [ -0.0038477700000000, -0.0008021300000000, 0.0009718700000000 ] - [ -0.0001496400000000, 0.0000948600000000, 0.0001124300000000 ] - [ 0.0005260800000000, 0.0006885400000000, -0.0008201800000000 ] - [ -0.0000522900000000, 0.0002891400000000, -0.0005886900000000 ] - [ -0.0001752000000000, 0.0010340800000000, -0.0005636400000000 ] - [ -0.0000310900000000, 0.0000156500000000, -0.0002269000000000 ] - [ 0.0000326500000000, -0.0000923900000000, 0.0021902300000000 ] - [ 0.0001236400000000, -0.0000577400000000, -0.0004888300000000 ] - [ 0.0001851200000000, -0.0001113300000000, 0.0018825600000000 ] - [ -0.0005713400000000, -0.0000754700000000, 0.0009128600000000 ] - [ -0.0001518400000000, -0.0000220200000000, -0.0003093500000000 ] - [ 0.0000154300000000, 0.0000262800000000, 0.0001074500000000 ] - [ 0.0000131800000000, -0.0001271600000000, -0.0004460100000000 ] - [ 0.0000107100000000, -0.0003096500000000, -0.0001927600000000 ] - [ 0.0000258000000000, 0.0000253100000000, 0.0000521300000000 ] - [ -0.0000249400000000, -0.0001897000000000, -0.0000415500000000 ] - [ 0.0003561700000000, -0.0001886700000000, -0.0057500400000000 ] - [ -0.0000901300000000, -0.0001089300000000, 0.0001121200000000 ] - [ -0.0000120900000000, 0.0000258500000000, -0.0003472000000000 ] - [ -0.0000450500000000, 0.0002059100000000, 0.0017858600000000 ] - [ -0.0000037600000000, 0.0000114400000000, -0.0004237600000000 ] - [ -0.0004311500000000, -0.0004540100000000, -0.0007096000000000 ] - [ -0.0001245500000000, -0.0003054000000000, -0.0000530700000000 ] - [ 0.0001497600000000, -0.0006022800000000, -0.0007155000000000 ] - [ 0.0003037600000000, -0.0005269000000000, -0.0005861900000000 ] - [ 0.0004048900000000, -0.0035431900000000, 0.0442502100000000 ] - [ 0.0000113300000000, -0.0000498200000000, -0.0002302100000000 ] - [ 0.0001218900000000, 0.0001112200000000, 0.0002227900000000 ] - [ 0.0000933600000000, -0.0001698400000000, -0.0004947300000000 ] - [ -0.0004963300000000, 0.0002169000000000, -0.0052708500000000 ] - [ -0.0000080100000000, 0.0002087200000000, 0.0000022100000000 ] - [ 0.0000003400000000, 0.0001763000000000, -0.0001158700000000 ] - [ 0.0000093200000000, 0.0002521200000000, -0.0000712900000000 ]- atom: 125 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002366900000000, 0.0003380100000000, 0.0001785200000000 ] - [ -0.0000448900000000, -0.0000376400000000, 0.0000277800000000 ] - [ 0.0001945800000000, 0.0000004100000000, -0.0000171600000000 ] - [ 0.0001149900000000, 0.0000436700000000, -0.0002334800000000 ] - [ -0.0000579600000000, 0.0000266300000000, 0.0000212900000000 ] - [ -0.0000028800000000, 0.0000243000000000, -0.0000008900000000 ] - [ -0.0002552200000000, 0.0001720000000000, -0.0002138300000000 ] - [ 0.0024914700000000, 0.0012342600000000, 0.0015916800000000 ] - [ 0.0013711500000000, 0.0002595500000000, 0.0005053800000000 ] - [ -0.0000577900000000, -0.0001423500000000, 0.0000567000000000 ] - [ 0.0000921100000000, 0.0000601900000000, -0.0000201700000000 ] - [ -0.0001439700000000, 0.0000834900000000, -0.0000544800000000 ] - [ -0.0001923000000000, -0.0000062900000000, 0.0000099000000000 ] - [ -0.0001136500000000, -0.0000084700000000, 0.0000364400000000 ] - [ -0.0012396800000000, -0.0003537200000000, -0.0007442400000000 ] - [ 0.0004707600000000, -0.0000761100000000, -0.0001237600000000 ] - [ -0.0000568200000000, 0.0000814000000000, -0.0000655200000000 ] - [ 0.0000662100000000, 0.0000122300000000, 0.0000111300000000 ] - [ -0.0003898500000000, 0.0001043900000000, 0.0001557600000000 ] - [ 0.0036094500000000, 0.0032049700000000, -0.0034436500000000 ] - [ 0.0001708600000000, -0.0000593800000000, -0.0001232800000000 ] - [ 0.0000516100000000, 0.0002327300000000, -0.0001013100000000 ] - [ -0.0000019100000000, -0.0000089700000000, 0.0003552300000000 ] - [ -0.0001325000000000, -0.0000502500000000, -0.0000723300000000 ] - [ -0.0000581100000000, -0.0001121000000000, -0.0000572600000000 ] - [ 0.0000936500000000, 0.0000071900000000, -0.0001102500000000 ] - [ -0.0011756200000000, -0.0002600400000000, 0.0008141000000000 ] - [ 0.0004506700000000, 0.0000610200000000, 0.0003077600000000 ] - [ 0.0001008300000000, -0.0003529100000000, -0.0004359400000000 ] - [ 0.0001263000000000, -0.0002908100000000, 0.0001702400000000 ] - [ -0.0001536000000000, 0.0000665800000000, 0.0002015500000000 ] - [ -0.0000556600000000, -0.0003474000000000, 0.0000409800000000 ] - [ -0.0000477300000000, -0.0000272500000000, 0.0002136900000000 ] - [ -0.0001297700000000, -0.0000721100000000, 0.0002233300000000 ] - [ 0.0061109400000000, -0.0023246500000000, 0.0055886500000000 ] - [ -0.0000322200000000, -0.0002433300000000, 0.0000135200000000 ] - [ 0.0000400100000000, -0.0000172000000000, -0.0001395900000000 ] - [ 0.0019201100000000, 0.0004666500000000, -0.0000045900000000 ] - [ -0.0004134800000000, 0.0000701000000000, 0.0003636200000000 ] - [ 0.0000326300000000, 0.0000197800000000, -0.0000854200000000 ] - [ 0.0000299700000000, 0.0002337500000000, -0.0002028900000000 ] - [ -0.0001244400000000, -0.0000463900000000, 0.0000070400000000 ] - [ 0.0001165100000000, -0.0000219100000000, 0.0000079800000000 ] - [ -0.0002390000000000, 0.0000062200000000, 0.0008147900000000 ] - [ 0.0000275800000000, -0.0001737400000000, -0.0003112100000000 ] - [ 0.0000074600000000, 0.0000724700000000, 0.0002100200000000 ] - [ -0.0011064200000000, -0.0014041600000000, 0.0004182300000000 ] - [ -0.0000106400000000, -0.0002188700000000, -0.0001020400000000 ] - [ -0.0000457100000000, 0.0000115400000000, -0.0001428800000000 ] - [ -0.0001964300000000, 0.0002150200000000, 0.0007827500000000 ] - [ 0.0000294700000000, -0.0001309800000000, 0.0002961800000000 ] - [ -0.0000397600000000, -0.0000570600000000, -0.0002701000000000 ] - [ 0.0001419700000000, -0.0001516100000000, 0.0000070200000000 ] - [ -0.0000113400000000, -0.0000377400000000, -0.0001899700000000 ] - [ 0.0061607500000000, -0.0025130900000000, -0.0049453700000000 ] - [ -0.0003508200000000, 0.0000242600000000, -0.0001202900000000 ] - [ -0.0000458100000000, -0.0000469000000000, 0.0001869400000000 ] - [ -0.0000458600000000, 0.0000505300000000, -0.0001971000000000 ] - [ -0.0001446000000000, 0.0003587000000000, -0.0002366200000000 ] - [ 0.0165642500000000, -0.0070000600000000, -0.0003604100000000 ] - [ 0.0001801000000000, 0.0000933200000000, 0.0001202600000000 ] - [ -0.0000285400000000, -0.0000663600000000, -0.0000765600000000 ] - [ -0.0000424200000000, -0.0000320000000000, -0.0001596600000000 ] - [ -0.0017822800000000, 0.0005171100000000, 0.0000436400000000 ] - [ 0.0000229500000000, -0.0001099300000000, -0.0002528900000000 ] - [ 0.0000005600000000, -0.0000107400000000, 0.0001509500000000 ] - [ 0.0076337800000000, 0.0021873700000000, 0.0011471400000000 ] - [ -0.0001258600000000, 0.0001078900000000, -0.0002264100000000 ] - [ -0.0000379400000000, -0.0001509400000000, -0.0000326100000000 ] - [ -0.0000039300000000, 0.0010157000000000, -0.0005852400000000 ] - [ 0.0001242700000000, 0.0002342500000000, 0.0006350400000000 ] - [ 0.0000084900000000, -0.0000047300000000, -0.0000267600000000 ] - [ 0.0002644400000000, 0.0000212900000000, -0.0000964000000000 ] - [ -0.0001021700000000, -0.0003798300000000, -0.0002328400000000 ] - [ -0.0000367500000000, 0.0002019600000000, -0.0001162500000000 ] - [ -0.0002005400000000, -0.0001132300000000, -0.0000742800000000 ] - [ 0.0000481100000000, -0.0001166500000000, -0.0003008500000000 ] - [ -0.0000710700000000, -0.0001457300000000, 0.0004353500000000 ] - [ -0.0000461400000000, 0.0002295500000000, -0.0000659500000000 ] - [ -0.0002078100000000, -0.0000829400000000, -0.0005296000000000 ] - [ -0.0000258900000000, -0.0001952300000000, 0.0003217200000000 ] - [ -0.0001528900000000, 0.0002282500000000, 0.0000991500000000 ] - [ 0.0003919400000000, -0.0007628700000000, -0.0015693200000000 ] - [ 0.0033004500000000, 0.0028479900000000, -0.0046069800000000 ] - [ 0.0001469500000000, -0.0001914200000000, 0.0001137100000000 ] - [ 0.0001011000000000, 0.0001924400000000, -0.0001099300000000 ] - [ 0.0001514200000000, -0.0007201900000000, 0.0009789300000000 ] - [ 0.0044701400000000, 0.0033885800000000, 0.0034927000000000 ] - [ 0.0000246400000000, 0.0001134200000000, -0.0002187200000000 ] - [ -0.0004860300000000, -0.0006103300000000, 0.0006521300000000 ] - [ 0.0003278600000000, 0.0002816900000000, -0.0004238700000000 ] - [ 0.0001639300000000, 0.0000899500000000, -0.0001740500000000 ] - [ -0.0000133200000000, -0.0003791300000000, -0.0005987100000000 ] - [ -0.0000819300000000, 0.0002516700000000, -0.0001770400000000 ] - [ 0.0002539500000000, -0.0000888800000000, 0.0002106700000000 ] - [ 0.0000994000000000, -0.0001829900000000, 0.0002521400000000 ] - [ 0.0001054300000000, -0.0000793600000000, 0.0000801200000000 ] - [ -0.0001516000000000, 0.0000108500000000, -0.0000517700000000 ] - [ 0.0028262400000000, -0.0009293800000000, -0.0001948900000000 ] - [ -0.0004546600000000, 0.0027944800000000, 0.0001355400000000 ] - [ 0.0001048400000000, -0.0000301200000000, -0.0000818900000000 ] - [ -0.0003629600000000, 0.0001001700000000, -0.0000336700000000 ] - [ 0.0006762400000000, -0.0001499900000000, 0.0003009900000000 ] - [ -0.0000667200000000, 0.0009043400000000, 0.0006654300000000 ] - [ 0.0003399200000000, -0.0002207500000000, 0.0001853400000000 ] - [ -0.0002326300000000, -0.0000215400000000, -0.0000932400000000 ] - [ 0.0002675600000000, 0.0001453900000000, -0.0001059400000000 ] - [ -0.0016094900000000, -0.0002878100000000, -0.0003136400000000 ] - [ 0.0019349000000000, -0.0009897100000000, -0.0002656000000000 ] - [ -0.0002580000000000, -0.0000198200000000, 0.0000400100000000 ] - [ 0.0001101700000000, 0.0000677000000000, 0.0000032100000000 ] - [ -0.0001607700000000, -0.0000205300000000, -0.0000152900000000 ] - [ 0.0000558800000000, -0.0000199800000000, -0.0000147700000000 ] - [ -0.0004220500000000, -0.0000090900000000, 0.0001216400000000 ] - [ 0.0007286000000000, -0.0000266900000000, -0.0000883900000000 ] - [ -0.0000984200000000, 0.0007022000000000, -0.0006829500000000 ] - [ -0.0007383200000000, 0.0016171900000000, -0.0001566600000000 ] - [ 0.0001923300000000, -0.0001649900000000, -0.0000140700000000 ] - [ -0.0000505900000000, 0.0002923700000000, -0.0000699700000000 ] - [ 0.0001994400000000, -0.0001089200000000, -0.0000374700000000 ] - [ -0.0016325300000000, -0.0003013600000000, 0.0004783200000000 ] - [ 0.0001658200000000, 0.0000460600000000, 0.0000003600000000 ] - [ 0.0000069000000000, 0.0000894300000000, 0.0000081500000000 ] - [ 0.0006776200000000, -0.0005592300000000, -0.0000014900000000 ] - [ -0.0502413700000000, -0.0017009500000000, 0.0017122100000000 ] - [ 0.0005085400000000, 0.0003891300000000, 0.0000322300000000 ] - [ -0.0000652500000000, 0.0000007500000000, -0.0000964200000000 ] - [ 0.0001428600000000, -0.0001267500000000, 0.0000637900000000 ]- atom: 125 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000049800000000, -0.0003298300000000, -0.0001243200000000 ] - [ -0.0002006500000000, 0.0000308900000000, -0.0000812600000000 ] - [ 0.0000509500000000, 0.0000051900000000, -0.0000353900000000 ] - [ 0.0001286300000000, -0.0000497100000000, 0.0002875300000000 ] - [ 0.0000042400000000, -0.0000923500000000, -0.0000495900000000 ] - [ -0.0000522500000000, 0.0000414200000000, 0.0000300900000000 ] - [ 0.0003091400000000, -0.0002409600000000, 0.0002424900000000 ] - [ -0.0023951500000000, -0.0011125900000000, -0.0015534100000000 ] - [ -0.0012503600000000, -0.0002873000000000, -0.0005344300000000 ] - [ 0.0001730900000000, 0.0001676200000000, -0.0000220900000000 ] - [ -0.0002082300000000, -0.0000860800000000, 0.0000560700000000 ] - [ 0.0000292400000000, -0.0000592600000000, 0.0000194100000000 ] - [ -0.0001005900000000, 0.0001544900000000, 0.0000559100000000 ] - [ -0.0001792000000000, -0.0001396100000000, -0.0001034600000000 ] - [ 0.0015277800000000, 0.0004957300000000, 0.0006716700000000 ] - [ -0.0001772300000000, -0.0000737200000000, 0.0001901900000000 ] - [ 0.0000630100000000, -0.0000936000000000, 0.0000224300000000 ] - [ -0.0000618200000000, -0.0000004300000000, 0.0000331400000000 ] - [ 0.0003826400000000, -0.0001176700000000, -0.0001123600000000 ] - [ -0.0035961700000000, -0.0031201500000000, 0.0033164900000000 ] - [ -0.0000035100000000, 0.0001475500000000, -0.0000417400000000 ] - [ 0.0001194100000000, -0.0003193600000000, 0.0002643400000000 ] - [ -0.0001663200000000, 0.0000953700000000, -0.0001903300000000 ] - [ -0.0000349200000000, -0.0000378800000000, -0.0000923000000000 ] - [ 0.0001161200000000, 0.0002275600000000, 0.0001125900000000 ] - [ -0.0000362100000000, -0.0001203900000000, 0.0000579500000000 ] - [ 0.0011190700000000, 0.0003741900000000, -0.0008630400000000 ] - [ -0.0005078300000000, -0.0001771200000000, -0.0002551800000000 ] - [ -0.0001489200000000, 0.0007703600000000, 0.0004502000000000 ] - [ -0.0001695400000000, -0.0001237200000000, -0.0001741100000000 ] - [ 0.0002072200000000, 0.0003458300000000, -0.0002146600000000 ] - [ 0.0001028300000000, -0.0000646200000000, -0.0000327000000000 ] - [ -0.0001100700000000, 0.0000089100000000, -0.0000368100000000 ] - [ -0.0000272800000000, 0.0000926900000000, -0.0003984700000000 ] - [ -0.0061397700000000, 0.0023592500000000, -0.0059739400000000 ] - [ 0.0001898600000000, 0.0002620400000000, 0.0001608200000000 ] - [ 0.0002442100000000, 0.0001326500000000, -0.0001922600000000 ] - [ -0.0016339700000000, -0.0005853300000000, 0.0003395700000000 ] - [ 0.0001290900000000, 0.0000441600000000, -0.0000315100000000 ] - [ -0.0003165700000000, -0.0001356000000000, -0.0002459700000000 ] - [ -0.0003021600000000, -0.0003209600000000, 0.0002006800000000 ] - [ -0.0001509300000000, 0.0001355700000000, -0.0000027200000000 ] - [ 0.0001585300000000, -0.0000673200000000, -0.0000036400000000 ] - [ 0.0005127000000000, 0.0000783100000000, -0.0008133700000000 ] - [ -0.0000412200000000, 0.0000954600000000, -0.0000917500000000 ] - [ -0.0000206400000000, 0.0000059300000000, 0.0001938300000000 ] - [ 0.0011172500000000, 0.0013133600000000, -0.0000144700000000 ] - [ 0.0000213300000000, 0.0003187800000000, -0.0003036000000000 ] - [ -0.0000799500000000, 0.0000395000000000, -0.0001686900000000 ] - [ 0.0000728900000000, -0.0002640600000000, -0.0004756800000000 ] - [ 0.0000953500000000, 0.0001807600000000, 0.0000167600000000 ] - [ 0.0001646900000000, 0.0000079700000000, -0.0000441000000000 ] - [ 0.0000147000000000, 0.0000320700000000, -0.0000365900000000 ] - [ 0.0001677000000000, 0.0001561600000000, 0.0002190400000000 ] - [ -0.0064850000000000, 0.0024463400000000, 0.0051730800000000 ] - [ 0.0001936400000000, 0.0000943300000000, 0.0000906700000000 ] - [ -0.0000657000000000, -0.0001679800000000, 0.0001572200000000 ] - [ -0.0000663600000000, 0.0001642900000000, -0.0001460100000000 ] - [ 0.0002558700000000, -0.0005706900000000, -0.0001068300000000 ] - [ -0.0157716100000000, 0.0069905700000000, 0.0006678300000000 ] - [ 0.0000221900000000, 0.0000243000000000, 0.0001056300000000 ] - [ 0.0002312800000000, -0.0000511700000000, -0.0001490300000000 ] - [ -0.0001596300000000, 0.0001489800000000, -0.0000652800000000 ] - [ 0.0015782500000000, -0.0006357300000000, 0.0001814300000000 ] - [ 0.0000395100000000, -0.0000450200000000, -0.0001562700000000 ] - [ 0.0000609600000000, 0.0001646400000000, 0.0002580600000000 ] - [ -0.0079256300000000, -0.0024439100000000, -0.0008045000000000 ] - [ 0.0000640400000000, 0.0000463500000000, -0.0001832100000000 ] - [ -0.0000282400000000, 0.0001125400000000, -0.0001914000000000 ] - [ -0.0000811300000000, -0.0009729400000000, 0.0008171500000000 ] - [ -0.0000585100000000, -0.0002696900000000, -0.0004111800000000 ] - [ 0.0000593100000000, 0.0000410500000000, -0.0001961200000000 ] - [ 0.0000603400000000, 0.0000614700000000, 0.0000432800000000 ] - [ 0.0004253900000000, 0.0002946300000000, 0.0002864300000000 ] - [ -0.0002859000000000, -0.0001156000000000, 0.0001702900000000 ] - [ -0.0001216500000000, 0.0000266300000000, 0.0000222300000000 ] - [ -0.0000998700000000, 0.0002466400000000, -0.0002430900000000 ] - [ 0.0000154100000000, 0.0000103100000000, 0.0001023300000000 ] - [ 0.0001028100000000, -0.0000966300000000, 0.0006110500000000 ] - [ 0.0002680500000000, -0.0000526800000000, -0.0000061200000000 ] - [ 0.0001653200000000, 0.0003743200000000, 0.0000955300000000 ] - [ 0.0002962000000000, -0.0004115300000000, -0.0005241000000000 ] - [ -0.0005344100000000, 0.0009421000000000, 0.0011447500000000 ] - [ -0.0034345800000000, -0.0029894800000000, 0.0049806900000000 ] - [ 0.0001822700000000, 0.0000337300000000, 0.0001979600000000 ] - [ 0.0002292400000000, -0.0000357800000000, -0.0002016700000000 ] - [ -0.0004836500000000, 0.0005640100000000, -0.0012844800000000 ] - [ -0.0047725200000000, -0.0031906800000000, -0.0031369000000000 ] - [ 0.0000336800000000, -0.0003783900000000, 0.0000621900000000 ] - [ 0.0005172500000000, 0.0008753500000000, -0.0004978400000000 ] - [ -0.0003828800000000, -0.0005390100000000, 0.0005829500000000 ] - [ -0.0002199400000000, 0.0001738200000000, 0.0000152900000000 ] - [ -0.0000205900000000, 0.0004172000000000, 0.0005784000000000 ] - [ 0.0000698300000000, -0.0002836400000000, 0.0001951100000000 ] - [ -0.0002422200000000, 0.0001199500000000, -0.0001964700000000 ] - [ -0.0000841700000000, 0.0001539200000000, -0.0002729300000000 ] - [ -0.0000862100000000, -0.0000085500000000, 0.0000588700000000 ] - [ 0.0001722800000000, 0.0000774700000000, -0.0000880900000000 ] - [ -0.0028709600000000, 0.0008541500000000, 0.0000559000000000 ] - [ 0.0004309400000000, -0.0027020800000000, 0.0000045100000000 ] - [ -0.0002286300000000, -0.0000740100000000, 0.0001216300000000 ] - [ 0.0002503000000000, 0.0000054600000000, -0.0000103000000000 ] - [ -0.0005567800000000, 0.0000449300000000, -0.0003427300000000 ] - [ 0.0001907300000000, -0.0008007700000000, -0.0006250400000000 ] - [ -0.0005587000000000, 0.0003406200000000, -0.0000387300000000 ] - [ 0.0000163300000000, -0.0000987900000000, -0.0000507800000000 ] - [ -0.0000507500000000, -0.0000249700000000, -0.0000373600000000 ] - [ 0.0018291600000000, 0.0001627800000000, 0.0004694800000000 ] - [ -0.0020187200000000, 0.0009449800000000, 0.0002689300000000 ] - [ 0.0001690100000000, 0.0000664800000000, -0.0000449400000000 ] - [ -0.0000213300000000, -0.0001140300000000, -0.0000092600000000 ] - [ 0.0002504000000000, 0.0000656500000000, 0.0000199600000000 ] - [ -0.0000946300000000, 0.0000401400000000, -0.0001143800000000 ] - [ 0.0003928500000000, -0.0000091500000000, 0.0000099400000000 ] - [ -0.0006905500000000, 0.0000474000000000, 0.0002197100000000 ] - [ 0.0001398200000000, -0.0007227500000000, 0.0005538300000000 ] - [ 0.0006451100000000, -0.0013743100000000, 0.0001975700000000 ] - [ -0.0003017300000000, -0.0000801900000000, -0.0000230400000000 ] - [ 0.0001597500000000, -0.0000468000000000, 0.0000313700000000 ] - [ -0.0000916300000000, -0.0001366600000000, 0.0000748000000000 ] - [ 0.0015447100000000, 0.0004669100000000, -0.0005506300000000 ] - [ -0.0002577900000000, -0.0002175800000000, 0.0000576200000000 ] - [ 0.0000855000000000, 0.0000825200000000, 0.0000504600000000 ] - [ -0.0005873200000000, 0.0003865800000000, -0.0000598200000000 ] - [ 0.0501126300000000, 0.0017254100000000, -0.0014117700000000 ] - [ -0.0004657800000000, -0.0004039500000000, -0.0002126600000000 ] - [ 0.0000245300000000, 0.0000170200000000, -0.0000858700000000 ] - [ -0.0001843900000000, 0.0001090500000000, 0.0001174300000000 ]- atom: 125 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003821100000000, -0.0002546900000000, -0.0000236400000000 ] - [ -0.0002563300000000, -0.0004551900000000, 0.0000833100000000 ] - [ 0.0001268900000000, -0.0000281000000000, 0.0000629900000000 ] - [ 0.0002238200000000, 0.0001927800000000, -0.0002153800000000 ] - [ 0.0000469200000000, 0.0000206400000000, -0.0000430200000000 ] - [ -0.0000301200000000, -0.0001038800000000, 0.0000500700000000 ] - [ 0.0004991600000000, -0.0001786800000000, 0.0005655600000000 ] - [ 0.0016673200000000, 0.0045427900000000, 0.0036419100000000 ] - [ 0.0006135000000000, 0.0039378400000000, 0.0034471000000000 ] - [ 0.0000662700000000, -0.0003220500000000, -0.0000291800000000 ] - [ -0.0000232200000000, -0.0001133200000000, 0.0000880200000000 ] - [ 0.0000019400000000, 0.0002541000000000, -0.0000260700000000 ] - [ -0.0001386500000000, -0.0000437100000000, 0.0000102500000000 ] - [ -0.0001341300000000, 0.0000260800000000, -0.0002814600000000 ] - [ 0.0001813100000000, 0.0005335900000000, 0.0003778200000000 ] - [ 0.0001408000000000, -0.0006555400000000, 0.0005226100000000 ] - [ 0.0001062500000000, -0.0000418600000000, 0.0001071700000000 ] - [ -0.0000259900000000, -0.0002144000000000, -0.0000483700000000 ] - [ 0.0006461100000000, -0.0001342000000000, -0.0005050200000000 ] - [ 0.0027728600000000, 0.0075464500000000, -0.0062859800000000 ] - [ -0.0000044200000000, -0.0004264400000000, -0.0001562300000000 ] - [ 0.0005439200000000, -0.0002733000000000, 0.0003580400000000 ] - [ -0.0000165900000000, 0.0001795900000000, 0.0002646600000000 ] - [ -0.0000335600000000, -0.0000704600000000, -0.0002133800000000 ] - [ 0.0000573400000000, -0.0000847700000000, 0.0000160100000000 ] - [ -0.0000482400000000, 0.0000646500000000, 0.0002757500000000 ] - [ 0.0004168500000000, 0.0003982400000000, -0.0002027400000000 ] - [ -0.0002332500000000, -0.0007439900000000, -0.0005597800000000 ] - [ -0.0000921000000000, -0.0000509100000000, -0.0001021400000000 ] - [ 0.0001818500000000, -0.0006759500000000, 0.0005387600000000 ] - [ -0.0004208100000000, 0.0001673000000000, 0.0005462200000000 ] - [ 0.0000017700000000, -0.0001172100000000, -0.0004684400000000 ] - [ -0.0001498200000000, 0.0000954700000000, 0.0003250800000000 ] - [ -0.0001045000000000, 0.0001204600000000, -0.0001690800000000 ] - [ -0.0021019900000000, 0.0010364700000000, -0.0021221000000000 ] - [ 0.0000143800000000, -0.0003625300000000, 0.0000542800000000 ] - [ 0.0001292400000000, -0.0002044000000000, -0.0000568700000000 ] - [ 0.0015652100000000, 0.0061247600000000, -0.0041708900000000 ] - [ -0.0001586700000000, 0.0002356500000000, 0.0001929300000000 ] - [ -0.0001891000000000, -0.0001857200000000, -0.0003332700000000 ] - [ 0.0004062800000000, 0.0001124000000000, 0.0007206100000000 ] - [ -0.0001685600000000, -0.0001654200000000, 0.0000250900000000 ] - [ 0.0001886300000000, -0.0002332500000000, -0.0003079200000000 ] - [ -0.0002468900000000, 0.0009527500000000, 0.0004836000000000 ] - [ -0.0000484500000000, -0.0000641700000000, -0.0002429100000000 ] - [ 0.0000003800000000, 0.0000067300000000, 0.0002120100000000 ] - [ -0.0005520200000000, 0.0003457000000000, 0.0000542200000000 ] - [ -0.0001763000000000, 0.0002563100000000, -0.0002593600000000 ] - [ -0.0004917900000000, 0.0004975900000000, 0.0005895800000000 ] - [ -0.0004229600000000, -0.0001131300000000, 0.0001153500000000 ] - [ -0.0000671900000000, -0.0000831400000000, 0.0003194500000000 ] - [ 0.0000095500000000, -0.0000623200000000, -0.0004453800000000 ] - [ 0.0000876100000000, -0.0002572200000000, 0.0000798400000000 ] - [ 0.0000341800000000, 0.0002071400000000, 0.0000127600000000 ] - [ -0.0028324000000000, 0.0012536700000000, 0.0018626500000000 ] - [ -0.0001776700000000, -0.0001303400000000, 0.0002334500000000 ] - [ -0.0000121500000000, -0.0000726800000000, 0.0002507300000000 ] - [ -0.0000855000000000, -0.0000073900000000, -0.0002297500000000 ] - [ 0.0004002300000000, -0.0012060900000000, -0.0000954100000000 ] - [ -0.0055559600000000, 0.0032301700000000, 0.0001945300000000 ] - [ 0.0000450200000000, 0.0000551500000000, 0.0001991000000000 ] - [ 0.0000830400000000, -0.0001488500000000, -0.0000886100000000 ] - [ -0.0001632700000000, -0.0001696000000000, -0.0000129500000000 ] - [ -0.0007305900000000, 0.0007308300000000, -0.0000066600000000 ] - [ 0.0000126100000000, -0.0001224100000000, -0.0003011800000000 ] - [ -0.0000028700000000, 0.0001368100000000, 0.0001737900000000 ] - [ 0.0021373300000000, -0.0000835600000000, 0.0011361500000000 ] - [ -0.0002018200000000, 0.0001411100000000, -0.0003440700000000 ] - [ -0.0000237000000000, -0.0005026400000000, -0.0005144400000000 ] - [ 0.0003723300000000, -0.0000061200000000, -0.0002869800000000 ] - [ 0.0000050200000000, 0.0000353800000000, -0.0001612600000000 ] - [ 0.0000210000000000, -0.0000668200000000, 0.0000041200000000 ] - [ 0.0004747500000000, -0.0011045400000000, -0.0001766200000000 ] - [ 0.0001867200000000, 0.0000176300000000, 0.0001949500000000 ] - [ -0.0001133900000000, 0.0001981300000000, 0.0000331500000000 ] - [ -0.0001368100000000, -0.0001047800000000, -0.0000683000000000 ] - [ 0.0002087000000000, -0.0009422400000000, -0.0010280900000000 ] - [ -0.0001141000000000, -0.0001695800000000, 0.0003408000000000 ] - [ -0.0000350700000000, 0.0002543000000000, 0.0002761600000000 ] - [ -0.0002252000000000, -0.0000982000000000, -0.0006926600000000 ] - [ 0.0000170300000000, 0.0001270600000000, -0.0003903600000000 ] - [ 0.0001146000000000, 0.0001731300000000, -0.0000942000000000 ] - [ -0.0007119800000000, 0.0020533300000000, 0.0027863800000000 ] - [ 0.0025016100000000, -0.0025419900000000, 0.0011547200000000 ] - [ 0.0000052000000000, -0.0001702800000000, 0.0003037500000000 ] - [ 0.0002426200000000, 0.0002049200000000, -0.0001653800000000 ] - [ -0.0005346300000000, 0.0014379500000000, -0.0024167200000000 ] - [ 0.0022226700000000, -0.0018146300000000, -0.0014219200000000 ] - [ 0.0002457500000000, 0.0001577100000000, -0.0001523200000000 ] - [ -0.0032096900000000, 0.0016164300000000, -0.0018581600000000 ] - [ 0.0001391900000000, -0.0005247000000000, -0.0002633700000000 ] - [ -0.0000392100000000, 0.0003180400000000, 0.0002032100000000 ] - [ -0.0021996500000000, 0.0030647800000000, 0.0001649600000000 ] - [ 0.0001742800000000, 0.0003210500000000, -0.0000276000000000 ] - [ 0.0000910700000000, 0.0001524200000000, -0.0001665300000000 ] - [ 0.0001425700000000, -0.0003392600000000, 0.0003770000000000 ] - [ -0.0000183900000000, 0.0000484900000000, 0.0000645400000000 ] - [ 0.0001637200000000, 0.0000642400000000, -0.0000571200000000 ] - [ -0.0008336200000000, -0.0008881900000000, -0.0004026100000000 ] - [ 0.0018115100000000, 0.0038779100000000, 0.0002419600000000 ] - [ -0.0002116100000000, 0.0002943900000000, 0.0001027000000000 ] - [ 0.0008153100000000, 0.0005051700000000, -0.0006297200000000 ] - [ 0.0002405500000000, -0.0003848200000000, -0.0000293900000000 ] - [ 0.0001966700000000, 0.0004559100000000, 0.0005536000000000 ] - [ -0.0005029000000000, -0.0001936500000000, 0.0000043400000000 ] - [ -0.0000836000000000, 0.0004356400000000, -0.0002400000000000 ] - [ -0.0000312400000000, 0.0003279200000000, 0.0001336700000000 ] - [ -0.0002326500000000, -0.0018187800000000, 0.0001565700000000 ] - [ -0.0000246100000000, -0.0002194200000000, -0.0002090800000000 ] - [ 0.0002686000000000, 0.0008212000000000, -0.0001095600000000 ] - [ -0.0000063100000000, 0.0001324300000000, 0.0000427000000000 ] - [ 0.0000365300000000, -0.0002921100000000, -0.0000026900000000 ] - [ -0.0001380100000000, 0.0003592500000000, -0.0001142600000000 ] - [ 0.0007366200000000, 0.0005192800000000, 0.0008645500000000 ] - [ 0.0001385500000000, -0.0003256200000000, 0.0002491400000000 ] - [ 0.0000956100000000, 0.0006605900000000, -0.0007024400000000 ] - [ 0.0022491600000000, 0.0036234000000000, 0.0000775100000000 ] - [ -0.0001750300000000, 0.0003722200000000, -0.0000352200000000 ] - [ 0.0001097100000000, 0.0002329400000000, 0.0000199800000000 ] - [ 0.0000640100000000, -0.0002476900000000, 0.0000291400000000 ] - [ -0.0000937200000000, -0.0018141400000000, -0.0002421600000000 ] - [ -0.0001047000000000, 0.0002427100000000, -0.0001891400000000 ] - [ 0.0001087300000000, 0.0005937600000000, 0.0001975000000000 ] - [ 0.0001622200000000, -0.0003406800000000, 0.0002328400000000 ] - [ -0.0017290000000000, -0.0339122400000000, 0.0043504900000000 ] - [ -0.0003757100000000, 0.0003159600000000, -0.0001787100000000 ] - [ -0.0000125800000000, 0.0001777000000000, -0.0000369100000000 ] - [ -0.0001383000000000, -0.0001126400000000, 0.0000593000000000 ]- atom: 125 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006307100000000, 0.0002618800000000, 0.0000767700000000 ] - [ 0.0000137400000000, 0.0004501300000000, -0.0001382100000000 ] - [ 0.0001164300000000, 0.0000346300000000, -0.0001164900000000 ] - [ 0.0000194200000000, -0.0001997800000000, 0.0002694300000000 ] - [ -0.0001021900000000, -0.0000869800000000, 0.0000141200000000 ] - [ -0.0000245000000000, 0.0001701200000000, -0.0000217900000000 ] - [ -0.0004404600000000, 0.0001115600000000, -0.0005331700000000 ] - [ -0.0015439300000000, -0.0044069600000000, -0.0035640400000000 ] - [ -0.0004812000000000, -0.0041300600000000, -0.0036406900000000 ] - [ 0.0000484900000000, 0.0003467600000000, 0.0000640200000000 ] - [ -0.0000927800000000, 0.0000891800000000, -0.0000530500000000 ] - [ -0.0001183100000000, -0.0002307700000000, -0.0000089500000000 ] - [ -0.0001549600000000, 0.0001914600000000, 0.0000550400000000 ] - [ -0.0001591100000000, -0.0001745500000000, 0.0002161200000000 ] - [ 0.0001116900000000, -0.0003849100000000, -0.0004421200000000 ] - [ 0.0001522100000000, 0.0005032500000000, -0.0004526100000000 ] - [ -0.0001016600000000, 0.0000300600000000, -0.0001515600000000 ] - [ 0.0000314000000000, 0.0002265300000000, 0.0000927300000000 ] - [ -0.0006489400000000, 0.0001223800000000, 0.0005457400000000 ] - [ -0.0026717200000000, -0.0074174300000000, 0.0060621300000000 ] - [ 0.0001740300000000, 0.0005160100000000, -0.0000060600000000 ] - [ -0.0003788000000000, 0.0001862100000000, -0.0001960200000000 ] - [ -0.0001520400000000, -0.0000922700000000, -0.0001002000000000 ] - [ -0.0001347300000000, -0.0000169600000000, 0.0000488200000000 ] - [ -0.0000001900000000, 0.0001979300000000, 0.0000380600000000 ] - [ 0.0001063100000000, -0.0001785600000000, -0.0003308000000000 ] - [ -0.0004733200000000, -0.0002831300000000, 0.0001469900000000 ] - [ 0.0001759000000000, 0.0006283500000000, 0.0006106900000000 ] - [ 0.0000463600000000, 0.0004593100000000, 0.0001098600000000 ] - [ -0.0002259800000000, 0.0002608800000000, -0.0005451300000000 ] - [ 0.0004694600000000, 0.0002439300000000, -0.0005558600000000 ] - [ 0.0000437500000000, -0.0002940000000000, 0.0004754200000000 ] - [ -0.0000081900000000, -0.0001143400000000, -0.0001490500000000 ] - [ -0.0000528500000000, -0.0001008800000000, -0.0000049000000000 ] - [ 0.0022562100000000, -0.0010673700000000, 0.0019490900000000 ] - [ 0.0001418100000000, 0.0003818700000000, 0.0001198200000000 ] - [ 0.0001540500000000, 0.0003193600000000, -0.0002741700000000 ] - [ -0.0012749400000000, -0.0064300300000000, 0.0047041100000000 ] - [ -0.0001262000000000, -0.0001209000000000, 0.0001385100000000 ] - [ -0.0000949600000000, 0.0000710800000000, 0.0000019300000000 ] - [ -0.0006843200000000, -0.0002004300000000, -0.0007307000000000 ] - [ -0.0001060400000000, 0.0002536100000000, -0.0000198200000000 ] - [ 0.0000862800000000, 0.0001447800000000, 0.0003114100000000 ] - [ 0.0005179200000000, -0.0008625000000000, -0.0004850300000000 ] - [ 0.0000348500000000, -0.0000146400000000, -0.0001610100000000 ] - [ -0.0000139800000000, 0.0000718600000000, 0.0001910300000000 ] - [ 0.0005654200000000, -0.0004222300000000, 0.0003471300000000 ] - [ 0.0001344200000000, -0.0000622100000000, -0.0001295500000000 ] - [ 0.0003680200000000, -0.0004512600000000, -0.0009060600000000 ] - [ 0.0003014100000000, 0.0000651400000000, 0.0002019700000000 ] - [ 0.0001921100000000, 0.0001313600000000, -0.0000061400000000 ] - [ 0.0001155700000000, 0.0000125400000000, 0.0001320600000000 ] - [ 0.0000686500000000, 0.0001387800000000, -0.0001104000000000 ] - [ 0.0001224400000000, -0.0000894900000000, 0.0000155200000000 ] - [ 0.0026677000000000, -0.0013871000000000, -0.0018288300000000 ] - [ 0.0000195800000000, 0.0002474000000000, -0.0002605600000000 ] - [ -0.0000998200000000, -0.0001420500000000, 0.0000922100000000 ] - [ -0.0000265100000000, 0.0002221100000000, -0.0001139600000000 ] - [ -0.0002889600000000, 0.0009938500000000, -0.0002481200000000 ] - [ 0.0056658400000000, -0.0029850700000000, 0.0001468600000000 ] - [ 0.0001574900000000, 0.0000624700000000, 0.0000268600000000 ] - [ 0.0001198300000000, 0.0000307100000000, -0.0001364300000000 ] - [ -0.0000399600000000, 0.0002876600000000, -0.0002134100000000 ] - [ 0.0005144300000000, -0.0008454000000000, 0.0002318400000000 ] - [ 0.0000492900000000, -0.0000318400000000, -0.0001083900000000 ] - [ 0.0000644900000000, 0.0000166100000000, 0.0002350900000000 ] - [ -0.0022186200000000, -0.0000910000000000, -0.0007396100000000 ] - [ 0.0001399200000000, 0.0000114200000000, -0.0000655300000000 ] - [ -0.0000443500000000, 0.0004677300000000, 0.0002926800000000 ] - [ -0.0004430300000000, 0.0000461900000000, 0.0005090300000000 ] - [ 0.0000619900000000, -0.0000708300000000, 0.0003870800000000 ] - [ 0.0000465200000000, 0.0001036800000000, -0.0002276400000000 ] - [ -0.0001540000000000, 0.0011967900000000, 0.0001256700000000 ] - [ 0.0001361800000000, -0.0001063100000000, -0.0001429500000000 ] - [ -0.0002088000000000, -0.0001108900000000, 0.0000194100000000 ] - [ -0.0001860500000000, 0.0000182500000000, 0.0000155700000000 ] - [ -0.0002616900000000, 0.0010742700000000, 0.0004869800000000 ] - [ 0.0000584300000000, 0.0000332500000000, 0.0001977600000000 ] - [ 0.0000899200000000, -0.0001193100000000, 0.0002630200000000 ] - [ 0.0002828600000000, -0.0000368300000000, 0.0001547200000000 ] - [ 0.0001216400000000, 0.0000505800000000, 0.0008135100000000 ] - [ 0.0000240000000000, -0.0003520600000000, -0.0003254700000000 ] - [ 0.0005690900000000, -0.0018642200000000, -0.0032002300000000 ] - [ -0.0026369800000000, 0.0023549900000000, -0.0007294600000000 ] - [ 0.0003255100000000, 0.0000128200000000, 0.0000076800000000 ] - [ 0.0000866700000000, -0.0000481200000000, -0.0001454700000000 ] - [ 0.0001987100000000, -0.0015783900000000, 0.0021005600000000 ] - [ -0.0025582900000000, 0.0019641900000000, 0.0017322100000000 ] - [ -0.0001903500000000, -0.0004196600000000, -0.0000088400000000 ] - [ 0.0032722200000000, -0.0013681000000000, 0.0020353000000000 ] - [ -0.0001958700000000, 0.0002632500000000, 0.0004213900000000 ] - [ -0.0000168400000000, -0.0000555200000000, -0.0003619800000000 ] - [ 0.0021866900000000, -0.0030522300000000, -0.0001959600000000 ] - [ -0.0001903000000000, -0.0003507500000000, 0.0000450500000000 ] - [ -0.0000784400000000, -0.0001220700000000, 0.0001845700000000 ] - [ -0.0001276600000000, 0.0003098200000000, -0.0003959800000000 ] - [ 0.0000381300000000, -0.0001371400000000, 0.0000753700000000 ] - [ -0.0001449100000000, 0.0000235900000000, -0.0000821300000000 ] - [ 0.0008131100000000, 0.0007893200000000, 0.0002621800000000 ] - [ -0.0018037100000000, -0.0037422400000000, -0.0000983500000000 ] - [ 0.0000902700000000, -0.0003994400000000, -0.0000643200000000 ] - [ -0.0009376700000000, -0.0004021100000000, 0.0005925000000000 ] - [ -0.0001185800000000, 0.0002764400000000, -0.0000071400000000 ] - [ -0.0000742800000000, -0.0003556600000000, -0.0005157100000000 ] - [ 0.0002884800000000, 0.0003172600000000, 0.0001393600000000 ] - [ -0.0001339300000000, -0.0005569800000000, 0.0000944900000000 ] - [ 0.0002486300000000, -0.0002067900000000, -0.0002762700000000 ] - [ 0.0004469700000000, 0.0017026900000000, -0.0000017200000000 ] - [ -0.0000633900000000, 0.0001777300000000, 0.0002107500000000 ] - [ -0.0003597100000000, -0.0007755100000000, 0.0001050400000000 ] - [ 0.0000958100000000, -0.0001793000000000, -0.0000481000000000 ] - [ 0.0000526500000000, 0.0003395700000000, 0.0000081300000000 ] - [ 0.0001005100000000, -0.0003409200000000, -0.0000139600000000 ] - [ -0.0007763200000000, -0.0005410200000000, -0.0007386200000000 ] - [ -0.0000990900000000, 0.0003420000000000, -0.0001231800000000 ] - [ -0.0000569200000000, -0.0006815200000000, 0.0005710700000000 ] - [ -0.0023918000000000, -0.0034232300000000, -0.0000433100000000 ] - [ 0.0000685400000000, -0.0006189000000000, -0.0000028200000000 ] - [ -0.0000020600000000, 0.0000123000000000, -0.0000578800000000 ] - [ 0.0000440900000000, 0.0000026700000000, 0.0000089400000000 ] - [ 0.0000004100000000, 0.0019926800000000, 0.0001716200000000 ] - [ 0.0000140400000000, -0.0004138800000000, 0.0002457700000000 ] - [ -0.0000176600000000, -0.0004229500000000, -0.0001378000000000 ] - [ -0.0000683500000000, 0.0001698200000000, -0.0002894500000000 ] - [ 0.0016971400000000, 0.0340316400000000, -0.0041407900000000 ] - [ 0.0004171400000000, -0.0003330600000000, -0.0000029400000000 ] - [ -0.0000289200000000, -0.0001610500000000, -0.0001449200000000 ] - [ 0.0000975600000000, 0.0000953800000000, 0.0001229700000000 ]- atom: 125 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0003403300000000, -0.0002884100000000, 0.0002075800000000 ] - [ -0.0000340000000000, 0.0001319400000000, 0.0001380700000000 ] - [ 0.0000223100000000, 0.0001286400000000, -0.0002501900000000 ] - [ -0.0000123400000000, -0.0001854200000000, -0.0004771900000000 ] - [ -0.0000591500000000, -0.0000533100000000, -0.0003101300000000 ] - [ 0.0000449900000000, 0.0001347700000000, -0.0002002100000000 ] - [ 0.0001391100000000, 0.0000204800000000, 0.0003985000000000 ] - [ 0.0014058500000000, 0.0032076800000000, 0.0063546900000000 ] - [ 0.0008314300000000, 0.0028012900000000, 0.0047339100000000 ] - [ 0.0001014500000000, 0.0000395100000000, 0.0000874100000000 ] - [ -0.0000835700000000, 0.0001388400000000, -0.0002111400000000 ] - [ -0.0000641100000000, -0.0000842300000000, -0.0002712900000000 ] - [ -0.0001786200000000, 0.0000814000000000, -0.0001406800000000 ] - [ -0.0000314800000000, -0.0002631600000000, -0.0005849500000000 ] - [ 0.0002980400000000, 0.0000960600000000, 0.0007796300000000 ] - [ 0.0000313600000000, -0.0000445700000000, 0.0004102500000000 ] - [ -0.0001330700000000, 0.0001412200000000, -0.0004035300000000 ] - [ -0.0000231800000000, -0.0001087800000000, -0.0001564900000000 ] - [ 0.0000994100000000, -0.0000957300000000, 0.0001881000000000 ] - [ -0.0026698300000000, -0.0064842300000000, 0.0079024300000000 ] - [ 0.0000076000000000, -0.0000531000000000, 0.0000995000000000 ] - [ -0.0003866200000000, 0.0001921700000000, 0.0001172400000000 ] - [ -0.0000141800000000, 0.0001989400000000, -0.0004320300000000 ] - [ -0.0000400400000000, -0.0001411000000000, -0.0003034500000000 ] - [ 0.0000500500000000, 0.0000328400000000, -0.0001178900000000 ] - [ 0.0000300300000000, 0.0001474500000000, -0.0006803700000000 ] - [ -0.0006408800000000, 0.0002574700000000, 0.0005728000000000 ] - [ 0.0000094400000000, -0.0001625400000000, 0.0002316200000000 ] - [ -0.0000296100000000, 0.0000008900000000, -0.0001498700000000 ] - [ -0.0002414600000000, 0.0002961900000000, -0.0006848300000000 ] - [ 0.0005613900000000, 0.0006591500000000, -0.0004944500000000 ] - [ 0.0002483400000000, -0.0003793500000000, 0.0000601200000000 ] - [ -0.0001183000000000, 0.0001582100000000, 0.0001988900000000 ] - [ -0.0000388200000000, -0.0000243200000000, -0.0005941400000000 ] - [ 0.0055483900000000, -0.0023589200000000, 0.0075322200000000 ] - [ 0.0000453800000000, -0.0001061600000000, 0.0001997800000000 ] - [ 0.0001149500000000, 0.0000167400000000, 0.0000007500000000 ] - [ -0.0010665300000000, -0.0043943400000000, 0.0048825900000000 ] - [ 0.0000512500000000, 0.0000048300000000, -0.0002096700000000 ] - [ -0.0002038700000000, -0.0002051900000000, -0.0004397700000000 ] - [ -0.0005784300000000, 0.0002967900000000, -0.0008116900000000 ] - [ -0.0001436500000000, 0.0000101100000000, 0.0000046900000000 ] - [ 0.0001725900000000, -0.0000875300000000, 0.0000306300000000 ] - [ 0.0004307500000000, -0.0003107000000000, -0.0005413400000000 ] - [ -0.0000131400000000, -0.0000405600000000, -0.0004971900000000 ] - [ 0.0000093200000000, 0.0000700200000000, -0.0002001300000000 ] - [ 0.0002913000000000, 0.0001814400000000, 0.0017763900000000 ] - [ -0.0002182900000000, 0.0003247400000000, 0.0011314400000000 ] - [ -0.0000428000000000, -0.0000578900000000, 0.0001333200000000 ] - [ -0.0000364000000000, -0.0004993800000000, 0.0003187800000000 ] - [ -0.0001880400000000, -0.0001361500000000, -0.0001350700000000 ] - [ 0.0000220600000000, -0.0000871200000000, -0.0004050200000000 ] - [ -0.0000145800000000, 0.0001563200000000, -0.0002274800000000 ] - [ -0.0000358800000000, 0.0001342700000000, -0.0003190300000000 ] - [ -0.0051675700000000, 0.0016584100000000, 0.0055525700000000 ] - [ -0.0000558200000000, 0.0002870000000000, 0.0001642400000000 ] - [ -0.0000529800000000, -0.0001043100000000, -0.0002696000000000 ] - [ -0.0000419300000000, 0.0000751700000000, -0.0003842100000000 ] - [ 0.0001415000000000, -0.0004246300000000, -0.0000119000000000 ] - [ -0.0011588700000000, 0.0002222800000000, 0.0024048600000000 ] - [ 0.0002266600000000, 0.0000038200000000, -0.0002571800000000 ] - [ 0.0001973900000000, -0.0000908700000000, -0.0002159900000000 ] - [ -0.0000379900000000, -0.0001199900000000, -0.0000205500000000 ] - [ -0.0007446300000000, -0.0002923700000000, 0.0005797100000000 ] - [ 0.0000662300000000, -0.0001173300000000, -0.0002776800000000 ] - [ 0.0001248400000000, 0.0001721500000000, 0.0004440000000000 ] - [ 0.0009896000000000, 0.0010697600000000, -0.0012115400000000 ] - [ -0.0001168900000000, 0.0001357500000000, -0.0001911000000000 ] - [ -0.0000114200000000, 0.0000158100000000, -0.0000238200000000 ] - [ 0.0000504600000000, -0.0007010600000000, 0.0011093600000000 ] - [ 0.0001037200000000, 0.0000433600000000, 0.0002386800000000 ] - [ 0.0000374600000000, -0.0000327100000000, -0.0002251400000000 ] - [ 0.0002610100000000, -0.0006300200000000, 0.0004401600000000 ] - [ 0.0002901300000000, 0.0003840100000000, 0.0005558000000000 ] - [ -0.0000767800000000, 0.0001174600000000, -0.0002551600000000 ] - [ -0.0002295600000000, -0.0001323200000000, -0.0002716000000000 ] - [ 0.0002293900000000, -0.0007946100000000, -0.0009071400000000 ] - [ 0.0000187200000000, 0.0000211700000000, 0.0002105900000000 ] - [ -0.0001270100000000, 0.0002988800000000, 0.0000882300000000 ] - [ -0.0002276400000000, -0.0002918300000000, -0.0006421300000000 ] - [ 0.0000930700000000, -0.0001900500000000, 0.0014503800000000 ] - [ 0.0000912300000000, 0.0000371400000000, 0.0001515000000000 ] - [ -0.0000702700000000, 0.0000198800000000, -0.0005083300000000 ] - [ -0.0034819300000000, 0.0010241500000000, -0.0010771100000000 ] - [ -0.0000102500000000, -0.0000909300000000, 0.0008420500000000 ] - [ 0.0000705300000000, 0.0000317400000000, 0.0002078300000000 ] - [ -0.0001781000000000, 0.0002220500000000, -0.0013756500000000 ] - [ 0.0034515100000000, -0.0008337400000000, -0.0025976900000000 ] - [ 0.0001085200000000, -0.0000110500000000, -0.0002363000000000 ] - [ 0.0031007500000000, -0.0011361600000000, 0.0018425000000000 ] - [ -0.0002184600000000, -0.0003468700000000, 0.0008242700000000 ] - [ -0.0000601700000000, 0.0003425400000000, 0.0002158900000000 ] - [ -0.0023389900000000, 0.0025660500000000, -0.0000743400000000 ] - [ -0.0000992600000000, -0.0001450000000000, 0.0000802700000000 ] - [ 0.0000259400000000, -0.0000984100000000, 0.0005027400000000 ] - [ 0.0001050400000000, 0.0000885300000000, 0.0003538000000000 ] - [ 0.0000408200000000, -0.0001376700000000, 0.0003475800000000 ] - [ -0.0000532700000000, -0.0000414400000000, 0.0003412600000000 ] - [ -0.0001529900000000, -0.0002335800000000, -0.0015743500000000 ] - [ 0.0001412200000000, 0.0002266400000000, -0.0019009700000000 ] - [ -0.0002165900000000, 0.0001723000000000, 0.0001274100000000 ] - [ -0.0007722200000000, -0.0006057200000000, 0.0006851200000000 ] - [ 0.0001141100000000, -0.0002123000000000, 0.0002931600000000 ] - [ 0.0000326900000000, 0.0007717300000000, 0.0006396200000000 ] - [ -0.0000342800000000, -0.0000391800000000, 0.0002863600000000 ] - [ -0.0000643200000000, 0.0000884100000000, -0.0001629400000000 ] - [ 0.0000735200000000, 0.0001665700000000, -0.0000359900000000 ] - [ 0.0006838800000000, -0.0001860000000000, 0.0053791400000000 ] - [ 0.0001858800000000, 0.0002158900000000, -0.0008151500000000 ] - [ 0.0001424300000000, 0.0002324800000000, -0.0002932400000000 ] - [ 0.0000291300000000, 0.0000319600000000, 0.0002736900000000 ] - [ 0.0000211700000000, 0.0001992700000000, 0.0005388000000000 ] - [ 0.0001008600000000, -0.0002789200000000, -0.0000034600000000 ] - [ 0.0004973800000000, 0.0004734000000000, 0.0007853200000000 ] - [ -0.0002251300000000, 0.0003083900000000, 0.0005580400000000 ] - [ 0.0001003200000000, -0.0008648200000000, 0.0005588800000000 ] - [ -0.0001228700000000, 0.0000432800000000, -0.0020559200000000 ] - [ -0.0003229100000000, -0.0001788900000000, -0.0005001300000000 ] - [ -0.0000367700000000, 0.0001244500000000, 0.0004133300000000 ] - [ 0.0001332300000000, -0.0001114100000000, 0.0004900000000000 ] - [ -0.0004798700000000, 0.0003573700000000, 0.0053328100000000 ] - [ -0.0000997200000000, -0.0002295100000000, -0.0000639100000000 ] - [ 0.0000312600000000, -0.0000468500000000, 0.0000540100000000 ] - [ -0.0001275700000000, 0.0000021700000000, 0.0001337800000000 ] - [ 0.0016577800000000, 0.0042099000000000, -0.0457347500000000 ] - [ -0.0001009300000000, -0.0000966600000000, -0.0003006500000000 ] - [ -0.0000259800000000, -0.0000454100000000, 0.0001961900000000 ] - [ 0.0000063100000000, 0.0000231000000000, 0.0005396200000000 ]- atom: 125 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0005861900000000, 0.0002938200000000, -0.0001555600000000 ] - [ -0.0002090500000000, -0.0001362800000000, -0.0001899900000000 ] - [ 0.0002210000000000, -0.0001227200000000, 0.0001970600000000 ] - [ 0.0002530700000000, 0.0001778100000000, 0.0005289500000000 ] - [ 0.0000054900000000, -0.0000131000000000, 0.0002811900000000 ] - [ -0.0000984300000000, -0.0000679100000000, 0.0002285500000000 ] - [ -0.0000863700000000, -0.0000877100000000, -0.0003703800000000 ] - [ -0.0012509500000000, -0.0030057400000000, -0.0062339700000000 ] - [ -0.0007037600000000, -0.0029832700000000, -0.0048716300000000 ] - [ 0.0000127200000000, -0.0000134600000000, -0.0000517100000000 ] - [ -0.0000312300000000, -0.0001638100000000, 0.0002463500000000 ] - [ -0.0000501900000000, 0.0001080800000000, 0.0002361300000000 ] - [ -0.0001156100000000, 0.0000663400000000, 0.0002061100000000 ] - [ -0.0002625100000000, 0.0001171300000000, 0.0005200600000000 ] - [ -0.0000007100000000, 0.0000514300000000, -0.0008408800000000 ] - [ 0.0002637500000000, -0.0001034500000000, -0.0003443700000000 ] - [ 0.0001413400000000, -0.0001537000000000, 0.0003595200000000 ] - [ 0.0000321300000000, 0.0001222500000000, 0.0001999500000000 ] - [ -0.0001118500000000, 0.0000830100000000, -0.0001421400000000 ] - [ 0.0027917500000000, 0.0067059900000000, -0.0081205200000000 ] - [ 0.0001630700000000, 0.0001426200000000, -0.0002636300000000 ] - [ 0.0005549400000000, -0.0002807100000000, 0.0000466600000000 ] - [ -0.0001575900000000, -0.0001118600000000, 0.0005980100000000 ] - [ -0.0001295600000000, 0.0000519900000000, 0.0001389800000000 ] - [ 0.0000044300000000, 0.0000794000000000, 0.0001717700000000 ] - [ 0.0000244300000000, -0.0002567900000000, 0.0006240500000000 ] - [ 0.0005896000000000, -0.0001412300000000, -0.0006306600000000 ] - [ -0.0000617900000000, 0.0000512500000000, -0.0001754400000000 ] - [ -0.0000167100000000, 0.0004083300000000, 0.0001569900000000 ] - [ 0.0001972300000000, -0.0007100200000000, 0.0006798800000000 ] - [ -0.0005133500000000, -0.0002474700000000, 0.0004847200000000 ] - [ -0.0002004000000000, -0.0000342400000000, -0.0000506800000000 ] - [ -0.0000400600000000, -0.0001769300000000, -0.0000238100000000 ] - [ -0.0001186700000000, 0.0000438200000000, 0.0004193200000000 ] - [ -0.0056075400000000, 0.0023967200000000, -0.0078830200000000 ] - [ 0.0001119600000000, 0.0001260700000000, -0.0000251400000000 ] - [ 0.0001671400000000, 0.0000985600000000, -0.0003319800000000 ] - [ 0.0013564200000000, 0.0041095600000000, -0.0044313500000000 ] - [ -0.0003344000000000, 0.0001094800000000, 0.0005408200000000 ] - [ -0.0000788600000000, 0.0000899200000000, 0.0001080100000000 ] - [ 0.0003011800000000, -0.0003839900000000, 0.0008063900000000 ] - [ -0.0001313400000000, 0.0000800600000000, -0.0000019900000000 ] - [ 0.0001027500000000, -0.0000027900000000, -0.0000270000000000 ] - [ -0.0001592700000000, 0.0004006000000000, 0.0005384100000000 ] - [ -0.0000008300000000, -0.0000372700000000, 0.0000943700000000 ] - [ -0.0000232400000000, 0.0000090700000000, 0.0006021500000000 ] - [ -0.0002839000000000, -0.0002568800000000, -0.0013743100000000 ] - [ 0.0002298300000000, -0.0002374300000000, -0.0015313500000000 ] - [ -0.0000811500000000, 0.0001054300000000, -0.0004483600000000 ] - [ -0.0000874200000000, 0.0004498700000000, -0.0000082700000000 ] - [ 0.0003163000000000, 0.0001844800000000, 0.0004490100000000 ] - [ 0.0001032900000000, 0.0000374000000000, 0.0000920700000000 ] - [ 0.0001707300000000, -0.0002744500000000, 0.0001975700000000 ] - [ 0.0001930200000000, -0.0000173800000000, 0.0003465400000000 ] - [ 0.0048367000000000, -0.0017398900000000, -0.0053885300000000 ] - [ -0.0001011600000000, -0.0001686500000000, -0.0001917700000000 ] - [ -0.0000597300000000, -0.0001122600000000, 0.0006109200000000 ] - [ -0.0000706700000000, 0.0001418300000000, 0.0000420800000000 ] - [ -0.0000305200000000, 0.0002129500000000, -0.0003302000000000 ] - [ 0.0012585500000000, 0.0000065000000000, -0.0020542100000000 ] - [ -0.0000224700000000, 0.0001135200000000, 0.0004817600000000 ] - [ 0.0000051300000000, -0.0000277500000000, -0.0000094900000000 ] - [ -0.0001639500000000, 0.0002386700000000, -0.0002057500000000 ] - [ 0.0005335600000000, 0.0001791500000000, -0.0003555500000000 ] - [ -0.0000046800000000, -0.0000367000000000, -0.0001313700000000 ] - [ -0.0000629600000000, -0.0000181600000000, -0.0000348500000000 ] - [ -0.0010300900000000, -0.0012321700000000, 0.0016247300000000 ] - [ 0.0000557600000000, 0.0000183700000000, -0.0002175900000000 ] - [ -0.0000558500000000, -0.0000517000000000, -0.0001988300000000 ] - [ -0.0001320100000000, 0.0007405700000000, -0.0008675200000000 ] - [ -0.0000373900000000, -0.0000771600000000, -0.0000114300000000 ] - [ 0.0000298200000000, 0.0000700300000000, 0.0000013200000000 ] - [ 0.0000589400000000, 0.0007211400000000, -0.0004899100000000 ] - [ 0.0000324200000000, -0.0004676200000000, -0.0005019100000000 ] - [ -0.0002448900000000, -0.0000320900000000, 0.0003064000000000 ] - [ -0.0000926500000000, 0.0000468800000000, 0.0002204200000000 ] - [ -0.0002823800000000, 0.0009264200000000, 0.0003661600000000 ] - [ -0.0000741000000000, -0.0001561900000000, 0.0003274700000000 ] - [ 0.0001834400000000, -0.0001647500000000, 0.0004490100000000 ] - [ 0.0002845300000000, 0.0001556500000000, 0.0001052100000000 ] - [ 0.0000474900000000, 0.0003688100000000, -0.0010268800000000 ] - [ 0.0000487900000000, -0.0002186100000000, -0.0005708000000000 ] - [ -0.0000686800000000, 0.0001539000000000, 0.0000718800000000 ] - [ 0.0033532200000000, -0.0012191700000000, 0.0015107700000000 ] - [ 0.0003421600000000, -0.0000651100000000, -0.0005288400000000 ] - [ 0.0002598200000000, 0.0001231800000000, -0.0005191300000000 ] - [ -0.0001535300000000, -0.0003783000000000, 0.0010721900000000 ] - [ -0.0037768000000000, 0.0009713500000000, 0.0028876800000000 ] - [ -0.0000518800000000, -0.0002529600000000, 0.0000799300000000 ] - [ -0.0030432300000000, 0.0013917200000000, -0.0016748100000000 ] - [ 0.0001630100000000, 0.0000843700000000, -0.0006689600000000 ] - [ 0.0000037400000000, -0.0000773200000000, -0.0003712800000000 ] - [ 0.0023260000000000, -0.0025391900000000, 0.0000472900000000 ] - [ 0.0000863900000000, 0.0001096100000000, -0.0000629200000000 ] - [ -0.0000140100000000, 0.0001321700000000, -0.0004857400000000 ] - [ -0.0000905400000000, -0.0001211200000000, -0.0003719600000000 ] - [ -0.0000211100000000, 0.0000491400000000, -0.0002070100000000 ] - [ 0.0000720700000000, 0.0001286000000000, -0.0004801500000000 ] - [ 0.0001392300000000, 0.0001449000000000, 0.0014329900000000 ] - [ -0.0001683100000000, -0.0001477700000000, 0.0020399100000000 ] - [ 0.0000943200000000, -0.0002773200000000, -0.0000894500000000 ] - [ 0.0006513700000000, 0.0007063500000000, -0.0007218300000000 ] - [ 0.0000073900000000, 0.0001041300000000, -0.0003284000000000 ] - [ 0.0000897700000000, -0.0006671600000000, -0.0006014000000000 ] - [ -0.0001798300000000, 0.0001625700000000, -0.0001414200000000 ] - [ -0.0001513600000000, -0.0002101200000000, 0.0000187200000000 ] - [ 0.0001427600000000, -0.0000459600000000, -0.0001082900000000 ] - [ -0.0004739000000000, 0.0000676700000000, -0.0053131100000000 ] - [ -0.0002777400000000, -0.0002576100000000, 0.0008160100000000 ] - [ -0.0002313100000000, -0.0001863900000000, 0.0002890200000000 ] - [ 0.0000577900000000, -0.0000802000000000, -0.0002779300000000 ] - [ 0.0000655800000000, -0.0001501600000000, -0.0005334800000000 ] - [ -0.0001394400000000, 0.0002976000000000, -0.0001259100000000 ] - [ -0.0005357400000000, -0.0004949600000000, -0.0006560600000000 ] - [ 0.0002615200000000, -0.0002891600000000, -0.0004285500000000 ] - [ -0.0000607300000000, 0.0008467800000000, -0.0006893800000000 ] - [ 0.0000145100000000, 0.0002123400000000, 0.0020903600000000 ] - [ 0.0002144500000000, -0.0000671000000000, 0.0004635900000000 ] - [ 0.0001454200000000, 0.0001212100000000, -0.0004494700000000 ] - [ -0.0000248400000000, -0.0001327200000000, -0.0004529100000000 ] - [ 0.0003821600000000, -0.0001831200000000, -0.0053133700000000 ] - [ 0.0000075900000000, 0.0000551800000000, 0.0001213500000000 ] - [ 0.0000620600000000, 0.0002201000000000, 0.0000034100000000 ] - [ 0.0002225200000000, -0.0001758700000000, -0.0001893300000000 ] - [ -0.0014694000000000, -0.0042797700000000, 0.0459405000000000 ] - [ 0.0001419100000000, 0.0000770900000000, 0.0001195800000000 ] - [ -0.0000134100000000, 0.0000645800000000, -0.0003771400000000 ] - [ -0.0000451900000000, -0.0000426200000000, -0.0003573000000000 ]