# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/8a080ebb-feca-4d72-bd06-c6f40381a73f/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 Sc2GeO5 / C2/c (15) / materials id 27576](https://mdr.nims.go.jp/datasets/9e910522-0978-43c4-8a64-35f57e44d99b) ## 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: "C2/c" number: 15 Hall_symbol: "-C 2yc"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 5.458254095000000, -5.232710660000000, 0.008375500000000 ] # a - [ 5.458254095000000, 5.232710660000000, 0.008375500000000 ] # b - [ -0.624613370000000, 0.000000000000000, 10.611197770000000 ] # c points: - symbol: O # 1 coordinates: [ 0.124344100000000, 0.483701120000000, 0.602900000000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.516298880000000, 0.875655900000000, 0.897100000000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.875655900000000, 0.516298880000000, 0.397100000000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.483701120000000, 0.124344100000000, 0.102900000000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.870448390000000, 0.778198230000000, 0.612624400000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.221801770000000, 0.129551610000000, 0.887375600000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.129551610000000, 0.221801770000000, 0.387375600000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.778198230000000, 0.870448390000000, 0.112624400000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.889409360000000, 0.802072660000000, 0.886224170000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.197927340000000, 0.110590640000000, 0.613775830000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.110590640000000, 0.197927340000000, 0.113775830000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.802072660000000, 0.889409360000000, 0.386224170000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.130641160000000, 0.536805500000000, 0.924976230000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.463194500000000, 0.869358840000000, 0.575023770000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.869358840000000, 0.463194500000000, 0.075023770000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.536805500000000, 0.130641160000000, 0.424976230000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.869815580000000, 0.405886520000000, 0.779890530000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.594113480000000, 0.130184420000000, 0.720109470000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.225246030000000, 0.835997910000000, 0.047898760000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.164002090000000, 0.774753970000000, 0.452101240000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.774753970000000, 0.164002090000000, 0.952101240000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.835997910000000, 0.225246030000000, 0.547898760000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.736449390000000, 0.263550610000000, 0.250000000000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.263550610000000, 0.736449390000000, 0.750000000000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.463811190000000, 0.560666890000000, 0.114380010000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.439333110000000, 0.536188810000000, 0.385619990000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.536188810000000, 0.439333110000000, 0.885619990000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.560666890000000, 0.463811190000000, 0.614380010000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.405886520000000, 0.869815580000000, 0.279890530000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.130184420000000, 0.594113480000000, 0.220109470000000 ] mass: 15.999400 - symbol: Sc # 31 coordinates: [ 0.007105920000000, 0.303622300000000, 0.938429220000000 ] mass: 44.955912 - symbol: Sc # 32 coordinates: [ 0.696377700000000, 0.992894080000000, 0.561570780000000 ] mass: 44.955912 - symbol: Sc # 33 coordinates: [ 0.992894080000000, 0.696377700000000, 0.061570780000000 ] mass: 44.955912 - symbol: Sc # 34 coordinates: [ 0.303622300000000, 0.007105920000000, 0.438429220000000 ] mass: 44.955912 - symbol: Sc # 35 coordinates: [ 0.348871280000000, 0.629525660000000, 0.570198480000000 ] mass: 44.955912 - symbol: Sc # 36 coordinates: [ 0.370474340000000, 0.651128720000000, 0.929801520000000 ] mass: 44.955912 - symbol: Sc # 37 coordinates: [ 0.651128720000000, 0.370474340000000, 0.429801520000000 ] mass: 44.955912 - symbol: Sc # 38 coordinates: [ 0.629525660000000, 0.348871280000000, 0.070198480000000 ] mass: 44.955912 - symbol: Sc # 39 coordinates: [ 0.008360600000000, 0.639212840000000, 0.755106000000000 ] mass: 44.955912 - symbol: Sc # 40 coordinates: [ 0.360787160000000, 0.991639400000000, 0.744894000000000 ] mass: 44.955912 - symbol: Sc # 41 coordinates: [ 0.991639400000000, 0.360787160000000, 0.244894000000000 ] mass: 44.955912 - symbol: Sc # 42 coordinates: [ 0.639212840000000, 0.008360600000000, 0.255106000000000 ] mass: 44.955912 - symbol: Ge # 43 coordinates: [ 0.645557650000000, 0.354442350000000, 0.750000000000000 ] mass: 72.640000 - symbol: Ge # 44 coordinates: [ 0.354442350000000, 0.645557650000000, 0.250000000000000 ] mass: 72.640000 - symbol: Ge # 45 coordinates: [ 0.059289860000000, 0.275585880000000, 0.543766280000000 ] mass: 72.640000 - symbol: Ge # 46 coordinates: [ 0.724414120000000, 0.940710140000000, 0.956233720000000 ] mass: 72.640000 - symbol: Ge # 47 coordinates: [ 0.940710140000000, 0.724414120000000, 0.456233720000000 ] mass: 72.640000 - symbol: Ge # 48 coordinates: [ 0.275585880000000, 0.059289860000000, 0.043766280000000 ] mass: 72.640000 reciprocal_lattice: # without 2pi - [ 0.091596109910706, -0.095552770349431, 0.005391677370482 ] # a* - [ 0.091596109910706, 0.095552770349431, 0.005391677370482 ] # b* - [ -0.000144595027854, 0.000000000000000, 0.094231556671134 ] # c*unit_cell: lattice: - [ 10.916508190000000, 0.000000000000000, 0.016751000000000 ] # a - [ 0.000000000000000, 10.465421320000001, 0.000000000000000 ] # b - [ -0.624613370000000, 0.000000000000000, 10.611197770000000 ] # c points: - symbol: O # 1 coordinates: [ 0.804022610000000, 0.679678510000000, 0.602900000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.195977390000000, 0.679678510000000, 0.897100000000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.195977390000000, 0.320321490000000, 0.397100000000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.804022610000000, 0.320321490000000, 0.102900000000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.324323310000000, 0.453874920000000, 0.612624400000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.675676690000000, 0.453874920000000, 0.887375600000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.675676690000000, 0.546125080000000, 0.387375600000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.324323310000000, 0.546125080000000, 0.112624400000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.345741010000000, 0.456331650000000, 0.886224170000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.654258990000000, 0.456331650000000, 0.613775830000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.654258990000000, 0.543668350000000, 0.113775830000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.345741010000000, 0.543668350000000, 0.386224170000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.833723330000000, 0.703082170000000, 0.924976230000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.166276670000000, 0.703082170000000, 0.575023770000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.166276670000000, 0.296917830000000, 0.075023770000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.833723330000000, 0.296917830000000, 0.424976230000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.137851050000000, 0.268035470000000, 0.779890530000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.862148950000000, 0.268035470000000, 0.720109470000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.030621970000000, 0.805375940000000, 0.047898760000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.969378030000000, 0.805375940000000, 0.452101240000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.969378030000000, 0.194624060000000, 0.952101240000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.030621970000000, 0.194624060000000, 0.547898760000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.000000000000000, 0.263550610000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.000000000000000, 0.736449390000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.012239040000000, 0.548427850000000, 0.114380010000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.987760960000000, 0.548427850000000, 0.385619990000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.987760960000000, 0.451572150000000, 0.885619990000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.012239040000000, 0.451572150000000, 0.614380010000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.137851050000000, 0.731964530000000, 0.279890530000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.862148950000000, 0.731964530000000, 0.220109470000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.304022610000000, 0.179678510000000, 0.602900000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 32 coordinates: [ 0.695977390000000, 0.179678510000000, 0.897100000000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 33 coordinates: [ 0.695977390000000, 0.820321490000000, 0.397100000000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 34 coordinates: [ 0.304022610000000, 0.820321490000000, 0.102900000000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 35 coordinates: [ 0.824323310000000, 0.953874920000000, 0.612624400000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 36 coordinates: [ 0.175676690000000, 0.953874920000000, 0.887375600000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 37 coordinates: [ 0.175676690000000, 0.046125080000000, 0.387375600000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 38 coordinates: [ 0.824323310000000, 0.046125080000000, 0.112624400000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 39 coordinates: [ 0.845741010000000, 0.956331650000000, 0.886224170000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 40 coordinates: [ 0.154258990000000, 0.956331650000000, 0.613775830000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 41 coordinates: [ 0.154258990000000, 0.043668350000000, 0.113775830000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 42 coordinates: [ 0.845741010000000, 0.043668350000000, 0.386224170000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 43 coordinates: [ 0.333723330000000, 0.203082170000000, 0.924976230000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 44 coordinates: [ 0.666276670000000, 0.203082170000000, 0.575023770000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 45 coordinates: [ 0.666276670000000, 0.796917830000000, 0.075023770000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 46 coordinates: [ 0.333723330000000, 0.796917830000000, 0.424976230000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 47 coordinates: [ 0.637851050000000, 0.768035470000000, 0.779890530000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 48 coordinates: [ 0.362148950000000, 0.768035470000000, 0.720109470000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 49 coordinates: [ 0.530621970000000, 0.305375940000000, 0.047898760000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 50 coordinates: [ 0.469378030000000, 0.305375940000000, 0.452101240000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 51 coordinates: [ 0.469378030000000, 0.694624060000000, 0.952101240000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 52 coordinates: [ 0.530621970000000, 0.694624060000000, 0.547898760000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 53 coordinates: [ 0.500000000000000, 0.763550610000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 54 coordinates: [ 0.500000000000000, 0.236449390000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 55 coordinates: [ 0.512239040000000, 0.048427850000000, 0.114380010000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 56 coordinates: [ 0.487760960000000, 0.048427850000000, 0.385619990000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 57 coordinates: [ 0.487760960000000, 0.951572150000000, 0.885619990000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 58 coordinates: [ 0.512239040000000, 0.951572150000000, 0.614380010000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 59 coordinates: [ 0.637851050000000, 0.231964530000000, 0.279890530000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 60 coordinates: [ 0.362148950000000, 0.231964530000000, 0.220109470000000 ] mass: 15.999400 reduced_to: 30 - symbol: Sc # 61 coordinates: [ 0.655364110000000, 0.648258190000000, 0.938429220000000 ] mass: 44.955912 reduced_to: 61 - symbol: Sc # 62 coordinates: [ 0.344635890000000, 0.648258190000000, 0.561570780000000 ] mass: 44.955912 reduced_to: 62 - symbol: Sc # 63 coordinates: [ 0.344635890000000, 0.351741810000000, 0.061570780000000 ] mass: 44.955912 reduced_to: 63 - symbol: Sc # 64 coordinates: [ 0.655364110000000, 0.351741810000000, 0.438429220000000 ] mass: 44.955912 reduced_to: 64 - symbol: Sc # 65 coordinates: [ 0.989198470000000, 0.640327190000000, 0.570198480000000 ] mass: 44.955912 reduced_to: 65 - symbol: Sc # 66 coordinates: [ 0.010801530000000, 0.640327190000000, 0.929801520000000 ] mass: 44.955912 reduced_to: 66 - symbol: Sc # 67 coordinates: [ 0.010801530000000, 0.359672810000000, 0.429801520000000 ] mass: 44.955912 reduced_to: 67 - symbol: Sc # 68 coordinates: [ 0.989198470000000, 0.359672810000000, 0.070198480000000 ] mass: 44.955912 reduced_to: 68 - symbol: Sc # 69 coordinates: [ 0.823786720000000, 0.815426120000000, 0.755106000000000 ] mass: 44.955912 reduced_to: 69 - symbol: Sc # 70 coordinates: [ 0.176213280000000, 0.815426120000000, 0.744894000000000 ] mass: 44.955912 reduced_to: 70 - symbol: Sc # 71 coordinates: [ 0.176213280000000, 0.184573880000000, 0.244894000000000 ] mass: 44.955912 reduced_to: 71 - symbol: Sc # 72 coordinates: [ 0.823786720000000, 0.184573880000000, 0.255106000000000 ] mass: 44.955912 reduced_to: 72 - symbol: Sc # 73 coordinates: [ 0.155364110000000, 0.148258190000000, 0.938429220000000 ] mass: 44.955912 reduced_to: 61 - symbol: Sc # 74 coordinates: [ 0.844635890000000, 0.148258190000000, 0.561570780000000 ] mass: 44.955912 reduced_to: 62 - symbol: Sc # 75 coordinates: [ 0.844635890000000, 0.851741810000000, 0.061570780000000 ] mass: 44.955912 reduced_to: 63 - symbol: Sc # 76 coordinates: [ 0.155364110000000, 0.851741810000000, 0.438429220000000 ] mass: 44.955912 reduced_to: 64 - symbol: Sc # 77 coordinates: [ 0.489198470000000, 0.140327190000000, 0.570198480000000 ] mass: 44.955912 reduced_to: 65 - symbol: Sc # 78 coordinates: [ 0.510801530000000, 0.140327190000000, 0.929801520000000 ] mass: 44.955912 reduced_to: 66 - symbol: Sc # 79 coordinates: [ 0.510801530000000, 0.859672810000000, 0.429801520000000 ] mass: 44.955912 reduced_to: 67 - symbol: Sc # 80 coordinates: [ 0.489198470000000, 0.859672810000000, 0.070198480000000 ] mass: 44.955912 reduced_to: 68 - symbol: Sc # 81 coordinates: [ 0.323786720000000, 0.315426120000000, 0.755106000000000 ] mass: 44.955912 reduced_to: 69 - symbol: Sc # 82 coordinates: [ 0.676213280000000, 0.315426120000000, 0.744894000000000 ] mass: 44.955912 reduced_to: 70 - symbol: Sc # 83 coordinates: [ 0.676213280000000, 0.684573880000000, 0.244894000000000 ] mass: 44.955912 reduced_to: 71 - symbol: Sc # 84 coordinates: [ 0.323786720000000, 0.684573880000000, 0.255106000000000 ] mass: 44.955912 reduced_to: 72 - symbol: Ge # 85 coordinates: [ 0.000000000000000, 0.354442350000000, 0.750000000000000 ] mass: 72.640000 reduced_to: 85 - symbol: Ge # 86 coordinates: [ 0.000000000000000, 0.645557650000000, 0.250000000000000 ] mass: 72.640000 reduced_to: 86 - symbol: Ge # 87 coordinates: [ 0.667437870000000, 0.608148010000000, 0.543766280000000 ] mass: 72.640000 reduced_to: 87 - symbol: Ge # 88 coordinates: [ 0.332562130000000, 0.608148010000000, 0.956233720000000 ] mass: 72.640000 reduced_to: 88 - symbol: Ge # 89 coordinates: [ 0.332562130000000, 0.391851990000000, 0.456233720000000 ] mass: 72.640000 reduced_to: 89 - symbol: Ge # 90 coordinates: [ 0.667437870000000, 0.391851990000000, 0.043766280000000 ] mass: 72.640000 reduced_to: 90 - symbol: Ge # 91 coordinates: [ 0.500000000000000, 0.854442350000000, 0.750000000000000 ] mass: 72.640000 reduced_to: 85 - symbol: Ge # 92 coordinates: [ 0.500000000000000, 0.145557650000000, 0.250000000000000 ] mass: 72.640000 reduced_to: 86 - symbol: Ge # 93 coordinates: [ 0.167437870000000, 0.108148010000000, 0.543766280000000 ] mass: 72.640000 reduced_to: 87 - symbol: Ge # 94 coordinates: [ 0.832562130000000, 0.108148010000000, 0.956233720000000 ] mass: 72.640000 reduced_to: 88 - symbol: Ge # 95 coordinates: [ 0.832562130000000, 0.891851990000000, 0.456233720000000 ] mass: 72.640000 reduced_to: 89 - symbol: Ge # 96 coordinates: [ 0.167437870000000, 0.891851990000000, 0.043766280000000 ] mass: 72.640000 reduced_to: 90supercell: lattice: - [ 10.916508190000000, 0.000000000000000, 0.016751000000000 ] # a - [ 0.000000000000000, 10.465421320000001, 0.000000000000000 ] # b - [ -0.624613370000000, 0.000000000000000, 10.611197770000000 ] # c points: - symbol: O # 1 coordinates: [ 0.804022610000000, 0.679678510000000, 0.602900000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.195977390000000, 0.679678510000000, 0.897100000000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.195977390000000, 0.320321490000000, 0.397100000000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.804022610000000, 0.320321490000000, 0.102900000000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.324323310000000, 0.453874920000000, 0.612624400000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.675676690000000, 0.453874920000000, 0.887375600000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.675676690000000, 0.546125080000000, 0.387375600000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.324323310000000, 0.546125080000000, 0.112624400000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.345741010000000, 0.456331650000000, 0.886224170000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.654258990000000, 0.456331650000000, 0.613775830000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.654258990000000, 0.543668350000000, 0.113775830000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.345741010000000, 0.543668350000000, 0.386224170000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.833723330000000, 0.703082170000000, 0.924976230000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.166276670000000, 0.703082170000000, 0.575023770000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.166276670000000, 0.296917830000000, 0.075023770000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.833723330000000, 0.296917830000000, 0.424976230000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.137851050000000, 0.268035470000000, 0.779890530000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.862148950000000, 0.268035470000000, 0.720109470000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.030621970000000, 0.805375940000000, 0.047898760000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.969378030000000, 0.805375940000000, 0.452101240000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.969378030000000, 0.194624060000000, 0.952101240000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.030621970000000, 0.194624060000000, 0.547898760000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.000000000000000, 0.263550610000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.000000000000000, 0.736449390000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.012239040000000, 0.548427850000000, 0.114380010000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.987760960000000, 0.548427850000000, 0.385619990000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.987760960000000, 0.451572150000000, 0.885619990000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.012239040000000, 0.451572150000000, 0.614380010000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.137851050000000, 0.731964530000000, 0.279890530000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.862148950000000, 0.731964530000000, 0.220109470000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.304022610000000, 0.179678510000000, 0.602900000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 32 coordinates: [ 0.695977390000000, 0.179678510000000, 0.897100000000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 33 coordinates: [ 0.695977390000000, 0.820321490000000, 0.397100000000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 34 coordinates: [ 0.304022610000000, 0.820321490000000, 0.102900000000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 35 coordinates: [ 0.824323310000000, 0.953874920000000, 0.612624400000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 36 coordinates: [ 0.175676690000000, 0.953874920000000, 0.887375600000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 37 coordinates: [ 0.175676690000000, 0.046125080000000, 0.387375600000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 38 coordinates: [ 0.824323310000000, 0.046125080000000, 0.112624400000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 39 coordinates: [ 0.845741010000000, 0.956331650000000, 0.886224170000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 40 coordinates: [ 0.154258990000000, 0.956331650000000, 0.613775830000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 41 coordinates: [ 0.154258990000000, 0.043668350000000, 0.113775830000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 42 coordinates: [ 0.845741010000000, 0.043668350000000, 0.386224170000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 43 coordinates: [ 0.333723330000000, 0.203082170000000, 0.924976230000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 44 coordinates: [ 0.666276670000000, 0.203082170000000, 0.575023770000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 45 coordinates: [ 0.666276670000000, 0.796917830000000, 0.075023770000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 46 coordinates: [ 0.333723330000000, 0.796917830000000, 0.424976230000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 47 coordinates: [ 0.637851050000000, 0.768035470000000, 0.779890530000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 48 coordinates: [ 0.362148950000000, 0.768035470000000, 0.720109470000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 49 coordinates: [ 0.530621970000000, 0.305375940000000, 0.047898760000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 50 coordinates: [ 0.469378030000000, 0.305375940000000, 0.452101240000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 51 coordinates: [ 0.469378030000000, 0.694624060000000, 0.952101240000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 52 coordinates: [ 0.530621970000000, 0.694624060000000, 0.547898760000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 53 coordinates: [ 0.500000000000000, 0.763550610000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 54 coordinates: [ 0.500000000000000, 0.236449390000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 55 coordinates: [ 0.512239040000000, 0.048427850000000, 0.114380010000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 56 coordinates: [ 0.487760960000000, 0.048427850000000, 0.385619990000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 57 coordinates: [ 0.487760960000000, 0.951572150000000, 0.885619990000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 58 coordinates: [ 0.512239040000000, 0.951572150000000, 0.614380010000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 59 coordinates: [ 0.637851050000000, 0.231964530000000, 0.279890530000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 60 coordinates: [ 0.362148950000000, 0.231964530000000, 0.220109470000000 ] mass: 15.999400 reduced_to: 30 - symbol: Sc # 61 coordinates: [ 0.655364110000000, 0.648258190000000, 0.938429220000000 ] mass: 44.955912 reduced_to: 61 - symbol: Sc # 62 coordinates: [ 0.344635890000000, 0.648258190000000, 0.561570780000000 ] mass: 44.955912 reduced_to: 62 - symbol: Sc # 63 coordinates: [ 0.344635890000000, 0.351741810000000, 0.061570780000000 ] mass: 44.955912 reduced_to: 63 - symbol: Sc # 64 coordinates: [ 0.655364110000000, 0.351741810000000, 0.438429220000000 ] mass: 44.955912 reduced_to: 64 - symbol: Sc # 65 coordinates: [ 0.989198470000000, 0.640327190000000, 0.570198480000000 ] mass: 44.955912 reduced_to: 65 - symbol: Sc # 66 coordinates: [ 0.010801530000000, 0.640327190000000, 0.929801520000000 ] mass: 44.955912 reduced_to: 66 - symbol: Sc # 67 coordinates: [ 0.010801530000000, 0.359672810000000, 0.429801520000000 ] mass: 44.955912 reduced_to: 67 - symbol: Sc # 68 coordinates: [ 0.989198470000000, 0.359672810000000, 0.070198480000000 ] mass: 44.955912 reduced_to: 68 - symbol: Sc # 69 coordinates: [ 0.823786720000000, 0.815426120000000, 0.755106000000000 ] mass: 44.955912 reduced_to: 69 - symbol: Sc # 70 coordinates: [ 0.176213280000000, 0.815426120000000, 0.744894000000000 ] mass: 44.955912 reduced_to: 70 - symbol: Sc # 71 coordinates: [ 0.176213280000000, 0.184573880000000, 0.244894000000000 ] mass: 44.955912 reduced_to: 71 - symbol: Sc # 72 coordinates: [ 0.823786720000000, 0.184573880000000, 0.255106000000000 ] mass: 44.955912 reduced_to: 72 - symbol: Sc # 73 coordinates: [ 0.155364110000000, 0.148258190000000, 0.938429220000000 ] mass: 44.955912 reduced_to: 61 - symbol: Sc # 74 coordinates: [ 0.844635890000000, 0.148258190000000, 0.561570780000000 ] mass: 44.955912 reduced_to: 62 - symbol: Sc # 75 coordinates: [ 0.844635890000000, 0.851741810000000, 0.061570780000000 ] mass: 44.955912 reduced_to: 63 - symbol: Sc # 76 coordinates: [ 0.155364110000000, 0.851741810000000, 0.438429220000000 ] mass: 44.955912 reduced_to: 64 - symbol: Sc # 77 coordinates: [ 0.489198470000000, 0.140327190000000, 0.570198480000000 ] mass: 44.955912 reduced_to: 65 - symbol: Sc # 78 coordinates: [ 0.510801530000000, 0.140327190000000, 0.929801520000000 ] mass: 44.955912 reduced_to: 66 - symbol: Sc # 79 coordinates: [ 0.510801530000000, 0.859672810000000, 0.429801520000000 ] mass: 44.955912 reduced_to: 67 - symbol: Sc # 80 coordinates: [ 0.489198470000000, 0.859672810000000, 0.070198480000000 ] mass: 44.955912 reduced_to: 68 - symbol: Sc # 81 coordinates: [ 0.323786720000000, 0.315426120000000, 0.755106000000000 ] mass: 44.955912 reduced_to: 69 - symbol: Sc # 82 coordinates: [ 0.676213280000000, 0.315426120000000, 0.744894000000000 ] mass: 44.955912 reduced_to: 70 - symbol: Sc # 83 coordinates: [ 0.676213280000000, 0.684573880000000, 0.244894000000000 ] mass: 44.955912 reduced_to: 71 - symbol: Sc # 84 coordinates: [ 0.323786720000000, 0.684573880000000, 0.255106000000000 ] mass: 44.955912 reduced_to: 72 - symbol: Ge # 85 coordinates: [ 0.000000000000000, 0.354442350000000, 0.750000000000000 ] mass: 72.640000 reduced_to: 85 - symbol: Ge # 86 coordinates: [ 0.000000000000000, 0.645557650000000, 0.250000000000000 ] mass: 72.640000 reduced_to: 86 - symbol: Ge # 87 coordinates: [ 0.667437870000000, 0.608148010000000, 0.543766280000000 ] mass: 72.640000 reduced_to: 87 - symbol: Ge # 88 coordinates: [ 0.332562130000000, 0.608148010000000, 0.956233720000000 ] mass: 72.640000 reduced_to: 88 - symbol: Ge # 89 coordinates: [ 0.332562130000000, 0.391851990000000, 0.456233720000000 ] mass: 72.640000 reduced_to: 89 - symbol: Ge # 90 coordinates: [ 0.667437870000000, 0.391851990000000, 0.043766280000000 ] mass: 72.640000 reduced_to: 90 - symbol: Ge # 91 coordinates: [ 0.500000000000000, 0.854442350000000, 0.750000000000000 ] mass: 72.640000 reduced_to: 85 - symbol: Ge # 92 coordinates: [ 0.500000000000000, 0.145557650000000, 0.250000000000000 ] mass: 72.640000 reduced_to: 86 - symbol: Ge # 93 coordinates: [ 0.167437870000000, 0.108148010000000, 0.543766280000000 ] mass: 72.640000 reduced_to: 87 - symbol: Ge # 94 coordinates: [ 0.832562130000000, 0.108148010000000, 0.956233720000000 ] mass: 72.640000 reduced_to: 88 - symbol: Ge # 95 coordinates: [ 0.832562130000000, 0.891851990000000, 0.456233720000000 ] mass: 72.640000 reduced_to: 89 - symbol: Ge # 96 coordinates: [ 0.167437870000000, 0.891851990000000, 0.043766280000000 ] mass: 72.640000 reduced_to: 90displacements:- atom: 1 displacement: [ 0.0099999882271062, 0.0000000000000000, 0.0000153446321733 ] forces: - [ -0.2414168900000000, -0.0672071000000000, -0.0548029300000000 ] - [ 0.0025839800000000, -0.0007510000000000, 0.0014235200000000 ] - [ 0.0017975200000000, 0.0000501600000000, -0.0000303700000000 ] - [ -0.0014752900000000, 0.0003686500000000, -0.0002242400000000 ] - [ 0.0017556600000000, 0.0001223000000000, -0.0001000500000000 ] - [ -0.0004138300000000, 0.0002923900000000, -0.0015988400000000 ] - [ 0.0003483200000000, 0.0041417600000000, 0.0085071300000000 ] - [ 0.0007714700000000, -0.0000179000000000, 0.0005310500000000 ] - [ 0.0001664400000000, 0.0003372800000000, -0.0000164800000000 ] - [ 0.0051920400000000, 0.0189395500000000, -0.0011847300000000 ] - [ 0.0003048200000000, -0.0002873800000000, 0.0009521600000000 ] - [ 0.0011783500000000, -0.0005139700000000, 0.0005091800000000 ] - [ -0.0037467900000000, -0.0004348000000000, 0.0008852100000000 ] - [ 0.0184506100000000, 0.0063030700000000, 0.0004695500000000 ] - [ 0.0007078100000000, 0.0002638700000000, 0.0000902700000000 ] - [ -0.0035023100000000, 0.0005671500000000, -0.0000979800000000 ] - [ 0.0011931800000000, -0.0013290500000000, 0.0009418700000000 ] - [ -0.0032008400000000, -0.0011367700000000, -0.0000349700000000 ] - [ -0.0004960800000000, 0.0007856800000000, 0.0004131900000000 ] - [ 0.0067562700000000, 0.0106918800000000, -0.0095107200000000 ] - [ -0.0002776800000000, -0.0002550200000000, 0.0004004900000000 ] - [ -0.0006835400000000, -0.0009004800000000, -0.0003643200000000 ] - [ -0.0004564200000000, -0.0006259500000000, -0.0004954300000000 ] - [ 0.0138732200000000, 0.0082384800000000, 0.0177660300000000 ] - [ -0.0006505100000000, -0.0000493800000000, -0.0001733100000000 ] - [ 0.0011783800000000, -0.0027062800000000, -0.0062385100000000 ] - [ 0.0000284100000000, -0.0016970400000000, 0.0012021900000000 ] - [ 0.0015050300000000, -0.0108271600000000, 0.0021484900000000 ] - [ 0.0021570300000000, 0.0001916600000000, -0.0011101300000000 ] - [ -0.0028201700000000, 0.0006668600000000, -0.0010340600000000 ] - [ 0.0016964100000000, 0.0005199000000000, 0.0001308400000000 ] - [ -0.0008454300000000, 0.0011065300000000, -0.0010035600000000 ] - [ -0.0022388100000000, -0.0051499500000000, 0.0059497700000000 ] - [ 0.0012786700000000, -0.0001072700000000, 0.0004218800000000 ] - [ -0.0035857100000000, 0.0024440400000000, -0.0003681700000000 ] - [ 0.0005055800000000, 0.0010924100000000, 0.0011931400000000 ] - [ 0.0007147100000000, 0.0014225000000000, -0.0007229300000000 ] - [ -0.0005442200000000, 0.0004657800000000, 0.0004319300000000 ] - [ -0.0011058000000000, 0.0025259400000000, 0.0014823000000000 ] - [ 0.0014519700000000, 0.0027665600000000, -0.0004257200000000 ] - [ 0.0008579400000000, -0.0003428000000000, 0.0002906600000000 ] - [ -0.0022848200000000, 0.0004939200000000, -0.0007021600000000 ] - [ 0.0013884500000000, -0.0002013700000000, -0.0000106300000000 ] - [ -0.0016248800000000, 0.0029298800000000, -0.0000906700000000 ] - [ -0.0012372400000000, -0.0004656800000000, 0.0003770300000000 ] - [ 0.0063984700000000, -0.0007774400000000, 0.0004700800000000 ] - [ 0.0055429200000000, -0.0054908100000000, -0.0089910700000000 ] - [ 0.0051646100000000, -0.0007148500000000, -0.0005816400000000 ] - [ 0.0003749200000000, 0.0003397300000000, -0.0003475900000000 ] - [ 0.0022384200000000, 0.0006635300000000, 0.0007246200000000 ] - [ 0.0018138400000000, 0.0002110200000000, 0.0000257300000000 ] - [ 0.0207439200000000, -0.0025590700000000, 0.0041446200000000 ] - [ 0.0015126800000000, 0.0001008000000000, 0.0013105700000000 ] - [ 0.0015149400000000, 0.0003289900000000, -0.0005930000000000 ] - [ -0.0002209700000000, 0.0003417700000000, 0.0002613500000000 ] - [ 0.0009658500000000, -0.0009280100000000, 0.0004974300000000 ] - [ 0.0016300700000000, -0.0016192700000000, -0.0011510300000000 ] - [ 0.0006475400000000, -0.0020944300000000, -0.0001350800000000 ] - [ -0.0005395800000000, 0.0014552400000000, 0.0012680800000000 ] - [ 0.0011455800000000, 0.0001775300000000, 0.0002043100000000 ] - [ 0.0016170600000000, -0.0010490000000000, 0.0030899900000000 ] - [ -0.0152415800000000, 0.0000815000000000, 0.0019819100000000 ] - [ -0.0013200400000000, 0.0005877900000000, 0.0000125700000000 ] - [ 0.0019827200000000, -0.0065126200000000, -0.0042006900000000 ] - [ 0.0329021900000000, -0.0114248000000000, -0.0064539700000000 ] - [ 0.0010297300000000, 0.0014356800000000, -0.0053792700000000 ] - [ 0.0006875700000000, 0.0051018700000000, 0.0025024300000000 ] - [ 0.0007206400000000, 0.0015944100000000, -0.0003276800000000 ] - [ 0.0167097000000000, -0.0005574600000000, 0.0010282600000000 ] - [ -0.0064579300000000, -0.0033841900000000, -0.0025118700000000 ] - [ -0.0008435800000000, -0.0002674000000000, 0.0002363700000000 ] - [ 0.0015742000000000, -0.0003538800000000, 0.0003174800000000 ] - [ -0.0006310600000000, -0.0010496000000000, -0.0008934400000000 ] - [ 0.0028736200000000, -0.0016953500000000, 0.0005626500000000 ] - [ 0.0021971500000000, 0.0002300400000000, -0.0000315900000000 ] - [ -0.0061877300000000, -0.0021903300000000, 0.0026026000000000 ] - [ -0.0017995300000000, 0.0000183200000000, 0.0001644000000000 ] - [ -0.0005221800000000, 0.0003152800000000, 0.0004480000000000 ] - [ -0.0032728400000000, 0.0062568600000000, -0.0042643600000000 ] - [ -0.0011132700000000, 0.0002263700000000, -0.0000162800000000 ] - [ -0.0026784700000000, -0.0003204600000000, 0.0004020400000000 ] - [ 0.0024473900000000, -0.0063763700000000, 0.0060029900000000 ] - [ 0.0026032500000000, 0.0028175500000000, -0.0050639400000000 ] - [ -0.0033289400000000, 0.0005446400000000, -0.0007307300000000 ] - [ 0.0014942900000000, 0.0050175800000000, -0.0041705700000000 ] - [ 0.0005902200000000, -0.0017061700000000, 0.0043160800000000 ] - [ 0.1302316200000000, 0.0564934200000000, 0.0445520400000000 ] - [ -0.0032354500000000, 0.0008624300000000, -0.0008478800000000 ] - [ -0.0037606600000000, -0.0006801300000000, -0.0003847500000000 ] - [ 0.0011510900000000, -0.0018151200000000, 0.0006760100000000 ] - [ -0.0058411100000000, 0.0025860500000000, 0.0014432100000000 ] - [ -0.0009225100000000, 0.0003800700000000, -0.0010605800000000 ] - [ -0.0011814000000000, -0.0013858600000000, 0.0004073900000000 ] - [ 0.0014247800000000, -0.0006209800000000, -0.0004173800000000 ] - [ 0.0127346600000000, -0.0046753000000000, 0.0035049000000000 ] - [ -0.0008018300000000, -0.0006414200000000, -0.0007807200000000 ]- atom: 1 displacement: [ -0.0099999882271062, 0.0000000000000000, -0.0000153446321733 ] forces: - [ 0.2446255800000000, 0.0721501800000000, 0.0590846700000000 ] - [ -0.0022552300000000, 0.0007662900000000, -0.0014668600000000 ] - [ -0.0014663200000000, -0.0000784100000000, -0.0000298300000000 ] - [ 0.0011460400000000, -0.0003946700000000, 0.0002791400000000 ] - [ -0.0016372600000000, -0.0003632900000000, 0.0004492300000000 ] - [ 0.0003079600000000, -0.0004930600000000, 0.0012346800000000 ] - [ -0.0004273100000000, -0.0039647200000000, -0.0089171500000000 ] - [ -0.0006570800000000, 0.0002287800000000, -0.0001849800000000 ] - [ -0.0013618000000000, 0.0009294200000000, 0.0000368100000000 ] - [ -0.0039894500000000, -0.0178477400000000, 0.0011914900000000 ] - [ 0.0008941000000000, -0.0009710000000000, -0.0009618900000000 ] - [ -0.0023697800000000, -0.0007623700000000, -0.0005091700000000 ] - [ 0.0038437200000000, 0.0000856400000000, -0.0009535600000000 ] - [ -0.0183662600000000, -0.0065476600000000, -0.0004348800000000 ] - [ -0.0008286100000000, 0.0000968900000000, -0.0000839100000000 ] - [ 0.0035993800000000, -0.0002191800000000, 0.0000947300000000 ] - [ -0.0012078400000000, 0.0006459700000000, -0.0006451400000000 ] - [ 0.0031888600000000, 0.0004445600000000, -0.0002480100000000 ] - [ 0.0000759500000000, -0.0003997700000000, -0.0010269600000000 ] - [ -0.0063706900000000, -0.0101794500000000, 0.0100108800000000 ] - [ 0.0006547500000000, -0.0001475500000000, 0.0002106200000000 ] - [ 0.0002644500000000, 0.0005045400000000, -0.0002491300000000 ] - [ 0.0004461900000000, 0.0008184500000000, 0.0004869300000000 ] - [ -0.0137479100000000, -0.0083127000000000, -0.0174594700000000 ] - [ -0.0002264300000000, 0.0008775000000000, 0.0003718900000000 ] - [ -0.0003201200000000, 0.0035025800000000, 0.0059414100000000 ] - [ 0.0008313700000000, 0.0008686300000000, -0.0014010900000000 ] - [ -0.0023886500000000, 0.0098534500000000, -0.0018914000000000 ] - [ -0.0021658800000000, 0.0004844500000000, 0.0013814500000000 ] - [ 0.0028153300000000, 0.0000154700000000, 0.0007376100000000 ] - [ -0.0020200100000000, -0.0005010600000000, -0.0000764400000000 ] - [ 0.0011930900000000, -0.0011019200000000, 0.0009521000000000 ] - [ 0.0026391100000000, 0.0051106800000000, -0.0059581800000000 ] - [ -0.0016031600000000, 0.0000901000000000, -0.0003693600000000 ] - [ 0.0036530000000000, -0.0028105600000000, 0.0007563600000000 ] - [ -0.0006199600000000, -0.0012977200000000, -0.0015221300000000 ] - [ -0.0008243700000000, -0.0011961100000000, 0.0003683100000000 ] - [ 0.0006562000000000, -0.0002610900000000, -0.0001118600000000 ] - [ -0.0000942200000000, -0.0013476800000000, -0.0015499300000000 ] - [ -0.0002570100000000, -0.0014739600000000, 0.0004077300000000 ] - [ 0.0003378300000000, -0.0009276600000000, -0.0003069700000000 ] - [ 0.0010695600000000, -0.0017748400000000, 0.0007382100000000 ] - [ -0.0012637900000000, -0.0001615400000000, 0.0000056800000000 ] - [ 0.0015154000000000, -0.0032915600000000, 0.0000988800000000 ] - [ 0.0011295100000000, 0.0008247500000000, -0.0003698100000000 ] - [ -0.0062640400000000, 0.0011561200000000, -0.0005022300000000 ] - [ -0.0055445800000000, 0.0048542400000000, 0.0093741700000000 ] - [ -0.0051260100000000, 0.0000595200000000, 0.0003202900000000 ] - [ -0.0007789900000000, 0.0000389100000000, -0.0002683400000000 ] - [ -0.0018195500000000, -0.0002815500000000, -0.0001080800000000 ] - [ -0.0013992700000000, -0.0005949300000000, 0.0005917600000000 ] - [ -0.0215182400000000, 0.0022368700000000, -0.0048609800000000 ] - [ -0.0014885000000000, 0.0001046500000000, -0.0013137500000000 ] - [ -0.0015033100000000, -0.0005314000000000, 0.0005942300000000 ] - [ -0.0006473000000000, 0.0004864100000000, -0.0000506900000000 ] - [ -0.0000870600000000, 0.0017680300000000, -0.0007152400000000 ] - [ -0.0007503600000000, 0.0007919500000000, 0.0009436500000000 ] - [ -0.0015078400000000, 0.0012787200000000, 0.0003470200000000 ] - [ 0.0005277400000000, -0.0007811000000000, -0.0009815200000000 ] - [ -0.0011202800000000, 0.0004909000000000, -0.0004884700000000 ] - [ -0.0015896500000000, 0.0001702100000000, -0.0036576600000000 ] - [ 0.0151510900000000, -0.0009330100000000, -0.0013920400000000 ] - [ 0.0012513600000000, 0.0002918800000000, 0.0005712800000000 ] - [ -0.0019230500000000, 0.0073585500000000, 0.0036050700000000 ] - [ -0.0300129900000000, 0.0101479200000000, 0.0059107000000000 ] - [ -0.0009407800000000, -0.0019817600000000, 0.0052864100000000 ] - [ -0.0006304300000000, -0.0045023700000000, -0.0025523200000000 ] - [ -0.0007515800000000, -0.0010323600000000, 0.0004112700000000 ] - [ -0.0170877600000000, -0.0000269800000000, -0.0007424600000000 ] - [ 0.0068660300000000, 0.0027603600000000, 0.0021939300000000 ] - [ 0.0012534800000000, 0.0008589300000000, -0.0005016000000000 ] - [ -0.0019779100000000, 0.0009630800000000, -0.0000365500000000 ] - [ 0.0007057500000000, 0.0001719800000000, 0.0003009500000000 ] - [ -0.0029158800000000, 0.0008753200000000, 0.0000052700000000 ] - [ -0.0022492700000000, 0.0006365100000000, 0.0006505100000000 ] - [ 0.0062489900000000, 0.0030239500000000, -0.0031571500000000 ] - [ 0.0017397400000000, -0.0005704700000000, -0.0000880800000000 ] - [ 0.0005440600000000, -0.0008615100000000, -0.0005225700000000 ] - [ 0.0032508000000000, -0.0057532900000000, 0.0042223300000000 ] - [ 0.0010571700000000, 0.0003212300000000, 0.0000934400000000 ] - [ 0.0022531000000000, -0.0002617800000000, -0.0001342900000000 ] - [ -0.0020379000000000, 0.0057676800000000, -0.0062732000000000 ] - [ -0.0021960700000000, -0.0022279400000000, 0.0047507700000000 ] - [ 0.0029002800000000, 0.0000467100000000, 0.0010293400000000 ] - [ -0.0014632900000000, -0.0049476100000000, 0.0041152300000000 ] - [ -0.0005724300000000, 0.0016446900000000, -0.0042669200000000 ] - [ -0.1357764600000000, -0.0597916700000000, -0.0475855100000000 ] - [ 0.0022624900000000, -0.0000003100000000, 0.0003304700000000 ] - [ 0.0027852100000000, -0.0001603900000000, -0.0001168800000000 ] - [ -0.0001996400000000, 0.0009440600000000, -0.0001572700000000 ] - [ 0.0057938800000000, -0.0025588000000000, -0.0014676300000000 ] - [ 0.0009096600000000, -0.0004143800000000, 0.0010626500000000 ] - [ 0.0021398000000000, 0.0022335700000000, 0.0001014100000000 ] - [ -0.0023786400000000, 0.0015353800000000, -0.0000833500000000 ] - [ -0.0135604600000000, 0.0039494900000000, -0.0041786000000000 ] - [ 0.0017606200000000, -0.0002252500000000, 0.0012805800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0689004400000000, -0.1040873700000000, -0.0568589300000000 ] - [ 0.0009239500000000, -0.0004586300000000, 0.0002805200000000 ] - [ 0.0002291500000000, 0.0004932600000000, 0.0003418100000000 ] - [ -0.0005522300000000, 0.0005383300000000, -0.0001554800000000 ] - [ 0.0004338300000000, -0.0002367800000000, 0.0001039300000000 ] - [ 0.0001707600000000, -0.0008368600000000, -0.0023156100000000 ] - [ 0.0052156700000000, 0.0012501400000000, 0.0103469400000000 ] - [ 0.0001333300000000, -0.0003488100000000, 0.0003931300000000 ] - [ -0.0004641700000000, 0.0001235700000000, -0.0003897700000000 ] - [ 0.0128755000000000, 0.0190597500000000, -0.0013480400000000 ] - [ 0.0003902000000000, -0.0017247900000000, 0.0010125400000000 ] - [ -0.0001304000000000, -0.0013877000000000, 0.0004374400000000 ] - [ -0.0001149700000000, -0.0031124100000000, 0.0026587800000000 ] - [ -0.0036064100000000, -0.0026958600000000, -0.0005514500000000 ] - [ 0.0001059300000000, 0.0003628800000000, 0.0000888900000000 ] - [ -0.0014482800000000, 0.0031383000000000, 0.0000562700000000 ] - [ -0.0002237400000000, 0.0005015600000000, -0.0005665200000000 ] - [ -0.0008968700000000, 0.0020076200000000, 0.0000203700000000 ] - [ 0.0004131400000000, 0.0000547100000000, 0.0000251000000000 ] - [ 0.0087950100000000, 0.0006511600000000, -0.0042835600000000 ] - [ 0.0008718100000000, 0.0011962500000000, 0.0004656000000000 ] - [ 0.0001214000000000, 0.0012040600000000, -0.0004479200000000 ] - [ 0.0000624700000000, 0.0007079500000000, 0.0005722300000000 ] - [ 0.0083172400000000, -0.0040858100000000, 0.0028845400000000 ] - [ -0.0004077700000000, -0.0002037300000000, 0.0007684400000000 ] - [ -0.0011162300000000, -0.0003958600000000, 0.0019237900000000 ] - [ 0.0001162400000000, -0.0009374900000000, -0.0014364600000000 ] - [ -0.0045971500000000, 0.0023358700000000, -0.0001292800000000 ] - [ 0.0003692100000000, -0.0006201200000000, -0.0001125700000000 ] - [ -0.0000877600000000, -0.0010640800000000, 0.0002961500000000 ] - [ 0.0003394900000000, 0.0006300200000000, 0.0000743800000000 ] - [ -0.0009441700000000, 0.0022136000000000, -0.0012440100000000 ] - [ -0.0049724100000000, 0.0014559300000000, -0.0092541600000000 ] - [ -0.0000693000000000, -0.0000792400000000, 0.0002775300000000 ] - [ 0.0030009200000000, 0.0179031600000000, -0.0035934900000000 ] - [ 0.0002241700000000, 0.0002522800000000, 0.0000816400000000 ] - [ 0.0001962000000000, 0.0007937500000000, -0.0003072100000000 ] - [ -0.0003115600000000, 0.0014831000000000, 0.0015984200000000 ] - [ -0.0005664100000000, 0.0087436500000000, 0.0069113400000000 ] - [ 0.0012158400000000, 0.0011716200000000, -0.0001992100000000 ] - [ 0.0007830700000000, -0.0001135700000000, 0.0001869900000000 ] - [ -0.0003586100000000, 0.0025836700000000, -0.0022361300000000 ] - [ 0.0002378000000000, 0.0001271100000000, -0.0003076800000000 ] - [ -0.0014430200000000, 0.0040545600000000, -0.0000449400000000 ] - [ -0.0007426700000000, -0.0004887800000000, 0.0008893200000000 ] - [ 0.0002942400000000, -0.0007828100000000, 0.0002416700000000 ] - [ -0.0065927600000000, -0.0018309800000000, 0.0047350300000000 ] - [ -0.0003868900000000, -0.0009602000000000, -0.0008490700000000 ] - [ 0.0000259700000000, 0.0005044500000000, -0.0002468800000000 ] - [ 0.0018291400000000, 0.0014493100000000, 0.0007370700000000 ] - [ -0.0004041300000000, -0.0006385900000000, 0.0006630100000000 ] - [ 0.0000536600000000, -0.0044713400000000, -0.0004285400000000 ] - [ -0.0004790600000000, -0.0010158600000000, -0.0001889900000000 ] - [ 0.0011532700000000, 0.0012355400000000, -0.0006766900000000 ] - [ -0.0004511000000000, 0.0010984400000000, 0.0003195900000000 ] - [ 0.0002283400000000, 0.0014339200000000, -0.0001454700000000 ] - [ -0.0000618200000000, 0.0005511100000000, 0.0003919700000000 ] - [ -0.0013145000000000, 0.0006214300000000, -0.0003607300000000 ] - [ -0.0000991700000000, 0.0020695300000000, 0.0014758900000000 ] - [ 0.0002209700000000, 0.0006307300000000, 0.0001186700000000 ] - [ 0.0007570000000000, 0.0032525900000000, -0.0013670000000000 ] - [ -0.0004148700000000, 0.0008374200000000, 0.0005579500000000 ] - [ -0.0003625400000000, 0.0005754100000000, 0.0002021900000000 ] - [ 0.0004904500000000, -0.0078037900000000, -0.0052797600000000 ] - [ -0.0016872400000000, 0.0154476900000000, 0.0030967200000000 ] - [ -0.0005597000000000, 0.0023657800000000, -0.0007577200000000 ] - [ 0.0010247600000000, -0.0020531500000000, -0.0018290600000000 ] - [ 0.0001176000000000, -0.0001102400000000, 0.0000007900000000 ] - [ -0.0003266900000000, 0.0159195000000000, 0.0072469900000000 ] - [ -0.0019807900000000, -0.0003160900000000, 0.0006509800000000 ] - [ -0.0000174400000000, -0.0005653800000000, -0.0004647300000000 ] - [ 0.0003881000000000, -0.0025134700000000, -0.0000063900000000 ] - [ -0.0006618500000000, -0.0013893200000000, -0.0000152000000000 ] - [ 0.0007987200000000, -0.0085300200000000, 0.0016185700000000 ] - [ 0.0001364200000000, 0.0014293200000000, -0.0019457900000000 ] - [ -0.0030951300000000, 0.0010531300000000, -0.0005100100000000 ] - [ -0.0005475000000000, -0.0029754300000000, 0.0001236000000000 ] - [ 0.0002692100000000, -0.0015677100000000, 0.0003423400000000 ] - [ 0.0036721600000000, 0.0009233700000000, -0.0002452500000000 ] - [ 0.0003961100000000, -0.0000162500000000, -0.0003588000000000 ] - [ -0.0007738400000000, -0.0006456100000000, 0.0009194700000000 ] - [ 0.0007278700000000, -0.0080528000000000, 0.0071946000000000 ] - [ 0.0008296400000000, 0.0074938100000000, -0.0023467700000000 ] - [ -0.0004822100000000, 0.0012293000000000, -0.0005145300000000 ] - [ 0.0009155100000000, -0.0026345900000000, 0.0031706200000000 ] - [ 0.0000567900000000, 0.0025621800000000, -0.0011778100000000 ] - [ 0.0555910600000000, 0.0512343700000000, 0.0265863600000000 ] - [ -0.0005702600000000, 0.0015324400000000, -0.0003062200000000 ] - [ -0.0017821900000000, -0.0002486200000000, -0.0007411800000000 ] - [ 0.0006241500000000, -0.0010055700000000, 0.0007244300000000 ] - [ 0.0032138400000000, -0.0012667300000000, 0.0007580800000000 ] - [ -0.0004181600000000, -0.0013397500000000, -0.0003976700000000 ] - [ -0.0000914900000000, -0.0010861900000000, 0.0002458200000000 ] - [ 0.0006026100000000, -0.0042780200000000, -0.0013840800000000 ] - [ -0.0042970600000000, -0.0087088500000000, 0.0136448600000000 ] - [ -0.0001469100000000, -0.0008034000000000, -0.0001366100000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0702281500000000, 0.1032337000000000, 0.0565980300000000 ] - [ -0.0006004800000000, 0.0004847900000000, -0.0003398200000000 ] - [ 0.0001066900000000, -0.0005083100000000, -0.0003961500000000 ] - [ 0.0002142300000000, -0.0005497100000000, 0.0002064600000000 ] - [ -0.0003197700000000, 0.0000326900000000, 0.0002339700000000 ] - [ -0.0002841800000000, 0.0006286400000000, 0.0019753600000000 ] - [ -0.0053447900000000, -0.0010043500000000, -0.0107416100000000 ] - [ -0.0000220200000000, 0.0005612500000000, -0.0000328900000000 ] - [ -0.0007330500000000, 0.0011432200000000, 0.0004053700000000 ] - [ -0.0118730800000000, -0.0179848200000000, 0.0013538000000000 ] - [ 0.0008076200000000, 0.0004471500000000, -0.0010262600000000 ] - [ -0.0010629400000000, 0.0001246200000000, -0.0004146500000000 ] - [ 0.0002284800000000, 0.0027227800000000, -0.0026576600000000 ] - [ 0.0034521600000000, 0.0022934900000000, 0.0005485000000000 ] - [ -0.0002210800000000, -0.0000016900000000, -0.0000795500000000 ] - [ 0.0015651800000000, -0.0027674900000000, -0.0000791900000000 ] - [ 0.0002139400000000, -0.0011747000000000, 0.0008533800000000 ] - [ 0.0009166700000000, -0.0026722400000000, -0.0002997600000000 ] - [ -0.0008059800000000, 0.0003287300000000, -0.0006381800000000 ] - [ -0.0083342600000000, -0.0003056300000000, 0.0048671700000000 ] - [ -0.0004578300000000, -0.0015688100000000, 0.0001553600000000 ] - [ -0.0005110400000000, -0.0015856000000000, -0.0001723800000000 ] - [ -0.0000579400000000, -0.0005037500000000, -0.0005726300000000 ] - [ -0.0082777400000000, 0.0038154300000000, -0.0028906700000000 ] - [ -0.0004633300000000, 0.0010365000000000, -0.0005524700000000 ] - [ 0.0019904900000000, 0.0012421400000000, -0.0021338100000000 ] - [ 0.0007571800000000, 0.0001129800000000, 0.0012287100000000 ] - [ 0.0037681200000000, -0.0031710500000000, 0.0003411300000000 ] - [ -0.0003793100000000, 0.0012935100000000, 0.0003999300000000 ] - [ 0.0001065200000000, 0.0017289000000000, -0.0005710300000000 ] - [ -0.0006679000000000, -0.0006112000000000, -0.0000215600000000 ] - [ 0.0012568400000000, -0.0021852000000000, 0.0011905400000000 ] - [ 0.0052533300000000, -0.0015031000000000, 0.0091355100000000 ] - [ -0.0002630400000000, 0.0000608700000000, -0.0002218900000000 ] - [ -0.0028368300000000, -0.0177887500000000, 0.0039188500000000 ] - [ -0.0003334100000000, -0.0004753000000000, -0.0004219200000000 ] - [ -0.0003054600000000, -0.0005899900000000, -0.0000460200000000 ] - [ 0.0004220100000000, -0.0012685300000000, -0.0012418800000000 ] - [ -0.0006277600000000, -0.0074193500000000, -0.0068487600000000 ] - [ -0.0000123400000000, 0.0000936300000000, 0.0001788000000000 ] - [ 0.0004180200000000, -0.0011675300000000, -0.0002072600000000 ] - [ -0.0008369400000000, -0.0038498600000000, 0.0022305000000000 ] - [ -0.0001182000000000, -0.0004861800000000, 0.0002992100000000 ] - [ 0.0013094500000000, -0.0044063400000000, 0.0000479400000000 ] - [ 0.0006191100000000, 0.0008460500000000, -0.0008768100000000 ] - [ -0.0001648800000000, 0.0011341800000000, -0.0002381400000000 ] - [ 0.0065617400000000, 0.0011133200000000, -0.0044544500000000 ] - [ 0.0004064000000000, 0.0002832800000000, 0.0005529100000000 ] - [ -0.0004260700000000, -0.0001174100000000, -0.0003681500000000 ] - [ -0.0014316700000000, -0.0010617400000000, -0.0001233600000000 ] - [ 0.0008084900000000, 0.0002586300000000, -0.0000467700000000 ] - [ -0.0003905100000000, 0.0040819800000000, -0.0001785500000000 ] - [ 0.0004756100000000, 0.0012154600000000, 0.0001963700000000 ] - [ -0.0011611200000000, -0.0014411400000000, 0.0006768100000000 ] - [ -0.0004219700000000, -0.0002704800000000, -0.0001074300000000 ] - [ 0.0006439300000000, -0.0006121700000000, -0.0000663100000000 ] - [ 0.0009349100000000, -0.0013924500000000, -0.0006114400000000 ] - [ 0.0004389100000000, -0.0014612900000000, 0.0005677600000000 ] - [ 0.0000788900000000, -0.0013959300000000, -0.0011917100000000 ] - [ -0.0002034700000000, 0.0000410200000000, -0.0004021600000000 ] - [ -0.0006869600000000, -0.0041321600000000, 0.0007900800000000 ] - [ 0.0003269700000000, -0.0017281700000000, 0.0000316800000000 ] - [ 0.0002985800000000, 0.0002959400000000, 0.0003801400000000 ] - [ -0.0004133200000000, 0.0086537400000000, 0.0047168000000000 ] - [ 0.0015839000000000, -0.0158091700000000, -0.0029497500000000 ] - [ 0.0005979100000000, -0.0029116900000000, 0.0006847000000000 ] - [ -0.0009968700000000, 0.0025889500000000, 0.0017623400000000 ] - [ -0.0001575500000000, 0.0006509900000000, 0.0000730900000000 ] - [ 0.0000126400000000, -0.0158917600000000, -0.0060390200000000 ] - [ 0.0023772300000000, -0.0002710400000000, -0.0009098900000000 ] - [ 0.0004217700000000, 0.0011606800000000, 0.0001872400000000 ] - [ -0.0007947200000000, 0.0031012700000000, 0.0002914300000000 ] - [ 0.0007201700000000, 0.0005162200000000, -0.0005722300000000 ] - [ -0.0008636700000000, 0.0076121200000000, -0.0010069200000000 ] - [ -0.0001983600000000, -0.0005406100000000, 0.0025107000000000 ] - [ 0.0031511800000000, -0.0001606500000000, -0.0000845600000000 ] - [ 0.0005172000000000, 0.0024353700000000, -0.0000403700000000 ] - [ -0.0002220700000000, 0.0010302700000000, -0.0004218100000000 ] - [ -0.0036283100000000, -0.0003409000000000, 0.0001492100000000 ] - [ -0.0004312100000000, 0.0005641500000000, 0.0004340900000000 ] - [ 0.0003644900000000, 0.0000457000000000, -0.0006357900000000 ] - [ -0.0003104600000000, 0.0074589100000000, -0.0074793000000000 ] - [ -0.0004200500000000, -0.0068833900000000, 0.0020452000000000 ] - [ 0.0000698300000000, -0.0006361900000000, 0.0007796600000000 ] - [ -0.0009269100000000, 0.0026659900000000, -0.0031789100000000 ] - [ -0.0000550100000000, -0.0025996200000000, 0.0011701600000000 ] - [ -0.0562478000000000, -0.0503015500000000, -0.0267638300000000 ] - [ -0.0003891700000000, -0.0006839500000000, -0.0001999600000000 ] - [ 0.0008203200000000, -0.0006134200000000, 0.0002356900000000 ] - [ 0.0003361100000000, 0.0001428900000000, -0.0002207600000000 ] - [ -0.0032106700000000, 0.0013190500000000, -0.0007523900000000 ] - [ 0.0004208800000000, 0.0013088100000000, 0.0003925000000000 ] - [ 0.0010413100000000, 0.0019424300000000, 0.0002627200000000 ] - [ -0.0015550400000000, 0.0051213200000000, 0.0008653600000000 ] - [ 0.0033176400000000, 0.0078848300000000, -0.0140366600000000 ] - [ 0.0010973700000000, -0.0000521900000000, 0.0006402900000000 ]- atom: 1 displacement: [ -0.0005876189178017, 0.0000000000000000, 0.0099827202709202 ] forces: - [ -0.0423328800000000, -0.0530862400000000, -0.0933379400000000 ] - [ 0.0014728200000000, -0.0002572200000000, 0.0005033000000000 ] - [ 0.0000689400000000, 0.0003556700000000, 0.0000965900000000 ] - [ -0.0003388800000000, 0.0001470300000000, 0.0008370800000000 ] - [ 0.0001527600000000, 0.0002777000000000, -0.0004450200000000 ] - [ -0.0005261700000000, -0.0013641000000000, 0.0006792900000000 ] - [ 0.0083766400000000, 0.0081377300000000, 0.0087717800000000 ] - [ 0.0000777300000000, 0.0001056000000000, 0.0011941300000000 ] - [ -0.0005997900000000, 0.0001877500000000, -0.0000121000000000 ] - [ -0.0000599400000000, 0.0000749000000000, -0.0060768100000000 ] - [ 0.0003302300000000, -0.0001882100000000, 0.0036664400000000 ] - [ -0.0001967500000000, -0.0005135300000000, -0.0001023000000000 ] - [ 0.0004833800000000, -0.0005193600000000, 0.0067358800000000 ] - [ -0.0027161500000000, -0.0019573800000000, -0.0014723000000000 ] - [ 0.0001791800000000, 0.0002223100000000, 0.0005350600000000 ] - [ -0.0005846400000000, 0.0013720500000000, -0.0000863800000000 ] - [ 0.0002196600000000, -0.0002524600000000, -0.0003756000000000 ] - [ 0.0000524700000000, -0.0004237600000000, -0.0009125700000000 ] - [ 0.0006557600000000, 0.0004207100000000, 0.0010052000000000 ] - [ -0.0087362600000000, -0.0064523300000000, 0.0030603900000000 ] - [ 0.0009663700000000, 0.0010151100000000, 0.0008274400000000 ] - [ -0.0002481000000000, 0.0001078500000000, -0.0008235400000000 ] - [ -0.0001095300000000, 0.0002368800000000, 0.0008297300000000 ] - [ 0.0153551000000000, 0.0017614800000000, 0.0031997400000000 ] - [ -0.0004970300000000, 0.0004729400000000, 0.0022192000000000 ] - [ -0.0021494800000000, 0.0020434100000000, 0.0017091100000000 ] - [ 0.0009180400000000, -0.0017179800000000, 0.0000129300000000 ] - [ -0.0001176700000000, 0.0005692600000000, -0.0021884500000000 ] - [ -0.0005343700000000, 0.0003352500000000, 0.0012062400000000 ] - [ -0.0009338000000000, -0.0006025200000000, 0.0027772800000000 ] - [ -0.0001750800000000, 0.0000279200000000, -0.0003928300000000 ] - [ -0.0007531500000000, 0.0011680300000000, -0.0002102600000000 ] - [ 0.0061911800000000, -0.0088371900000000, 0.0084733100000000 ] - [ 0.0001467300000000, -0.0002570400000000, 0.0009875700000000 ] - [ 0.0004784400000000, 0.0026437600000000, -0.0066460000000000 ] - [ 0.0003037400000000, 0.0003183900000000, 0.0002322000000000 ] - [ -0.0001966200000000, -0.0004989200000000, -0.0001724300000000 ] - [ -0.0004118900000000, 0.0014972000000000, 0.0029183000000000 ] - [ -0.0004348700000000, 0.0101447300000000, 0.0084017400000000 ] - [ 0.0005097800000000, 0.0009266800000000, -0.0015239900000000 ] - [ 0.0007979000000000, -0.0002419600000000, 0.0006482300000000 ] - [ -0.0008101300000000, -0.0023103400000000, -0.0004444600000000 ] - [ 0.0000289300000000, 0.0001336500000000, -0.0000289200000000 ] - [ -0.0001136600000000, 0.0004600500000000, -0.0013581900000000 ] - [ -0.0010632700000000, -0.0001436300000000, 0.0032219100000000 ] - [ 0.0001317400000000, 0.0006456400000000, 0.0001857100000000 ] - [ -0.0122320700000000, 0.0037052500000000, 0.0056902800000000 ] - [ -0.0004187700000000, -0.0010362300000000, -0.0015664600000000 ] - [ -0.0004075600000000, 0.0003902200000000, 0.0003600900000000 ] - [ 0.0007973000000000, 0.0007080700000000, -0.0001383300000000 ] - [ -0.0010043100000000, -0.0003917600000000, 0.0013718400000000 ] - [ 0.0021507800000000, -0.0006301900000000, -0.0031364400000000 ] - [ 0.0015784500000000, -0.0002400100000000, 0.0018006700000000 ] - [ -0.0001400700000000, -0.0000119700000000, -0.0006238900000000 ] - [ -0.0004298300000000, 0.0006431500000000, 0.0010332700000000 ] - [ 0.0008724900000000, -0.0003830500000000, -0.0001479300000000 ] - [ -0.0008009300000000, 0.0012613500000000, 0.0011363200000000 ] - [ -0.0008660500000000, 0.0002894700000000, -0.0020668700000000 ] - [ -0.0000107000000000, 0.0009642200000000, 0.0008916700000000 ] - [ 0.0001651900000000, 0.0002640800000000, 0.0003488600000000 ] - [ 0.0033447700000000, 0.0023740500000000, -0.0063823500000000 ] - [ -0.0004857600000000, -0.0004140400000000, 0.0020214100000000 ] - [ -0.0001370000000000, 0.0004112100000000, -0.0004085400000000 ] - [ -0.0006018500000000, -0.0056352200000000, 0.0025795900000000 ] - [ -0.0053245600000000, 0.0037978300000000, 0.0132191800000000 ] - [ -0.0030445600000000, 0.0018537600000000, -0.0039111200000000 ] - [ 0.0009183300000000, -0.0017562000000000, 0.0004174800000000 ] - [ -0.0000429500000000, 0.0000659400000000, -0.0014954800000000 ] - [ -0.0009439800000000, 0.0056128200000000, 0.0173497400000000 ] - [ -0.0031288600000000, -0.0012284900000000, 0.0022899700000000 ] - [ 0.0001525800000000, 0.0001392800000000, -0.0012518300000000 ] - [ 0.0002110900000000, -0.0002180400000000, -0.0021565300000000 ] - [ -0.0006746800000000, -0.0009251700000000, -0.0004542700000000 ] - [ -0.0000546100000000, -0.0015834400000000, 0.0021757600000000 ] - [ 0.0005674800000000, 0.0009722100000000, -0.0051319600000000 ] - [ 0.0026273500000000, 0.0013362200000000, -0.0000537800000000 ] - [ -0.0001401500000000, -0.0009094400000000, 0.0011893000000000 ] - [ 0.0006150900000000, -0.0012206100000000, -0.0005071700000000 ] - [ -0.0041820100000000, 0.0018923000000000, 0.0015358700000000 ] - [ 0.0002779600000000, 0.0003792200000000, -0.0025363600000000 ] - [ -0.0002610000000000, -0.0004178600000000, 0.0010801900000000 ] - [ 0.0007635800000000, 0.0000727800000000, 0.0017124900000000 ] - [ -0.0000589400000000, 0.0023532700000000, -0.0095267400000000 ] - [ -0.0007358200000000, 0.0001354500000000, -0.0014335200000000 ] - [ -0.0008576800000000, 0.0006910600000000, 0.0019937500000000 ] - [ 0.0011337900000000, -0.0000493500000000, -0.0040856200000000 ] - [ 0.0407144500000000, 0.0254317300000000, 0.0389590600000000 ] - [ -0.0004684300000000, 0.0014931000000000, -0.0011243900000000 ] - [ -0.0009622000000000, -0.0008289500000000, 0.0002032100000000 ] - [ 0.0008099400000000, -0.0010641800000000, -0.0019178700000000 ] - [ 0.0055287300000000, -0.0029985700000000, 0.0033281200000000 ] - [ -0.0004812700000000, -0.0000497200000000, -0.0013139100000000 ] - [ 0.0005945700000000, 0.0002933400000000, 0.0009813900000000 ] - [ 0.0002132500000000, -0.0041053700000000, -0.0021107500000000 ] - [ 0.0020864200000000, 0.0131089700000000, 0.0024310900000000 ] - [ -0.0004844200000000, -0.0007279800000000, -0.0009441500000000 ]- atom: 1 displacement: [ 0.0005876189178017, 0.0000000000000000, -0.0099827202709202 ] forces: - [ 0.0424727300000000, 0.0520007600000000, 0.0919490500000000 ] - [ -0.0011385300000000, 0.0002764900000000, -0.0005600700000000 ] - [ 0.0002564500000000, -0.0003764000000000, -0.0001479500000000 ] - [ 0.0000126700000000, -0.0001678600000000, -0.0007810000000000 ] - [ -0.0000422100000000, -0.0004858400000000, 0.0007932900000000 ] - [ 0.0004154900000000, 0.0011390200000000, -0.0010445000000000 ] - [ -0.0085762800000000, -0.0080281900000000, -0.0092002900000000 ] - [ 0.0000301300000000, 0.0001072500000000, -0.0008421600000000 ] - [ -0.0006016700000000, 0.0010729000000000, 0.0000240700000000 ] - [ 0.0013170300000000, 0.0012925800000000, 0.0060517200000000 ] - [ 0.0008687400000000, -0.0010833800000000, -0.0036783000000000 ] - [ -0.0010008700000000, -0.0007446500000000, 0.0001229000000000 ] - [ -0.0003559800000000, 0.0001523200000000, -0.0066601400000000 ] - [ 0.0025529600000000, 0.0015613200000000, 0.0014631100000000 ] - [ -0.0002946200000000, 0.0001378200000000, -0.0005251400000000 ] - [ 0.0006986100000000, -0.0010089800000000, 0.0000874600000000 ] - [ -0.0002334200000000, -0.0004148100000000, 0.0006519800000000 ] - [ -0.0000424600000000, -0.0002387100000000, 0.0006213800000000 ] - [ -0.0010465300000000, -0.0000397800000000, -0.0016161000000000 ] - [ 0.0092042700000000, 0.0068631300000000, -0.0024226700000000 ] - [ -0.0005607900000000, -0.0013869400000000, -0.0002101300000000 ] - [ -0.0001459500000000, -0.0004921000000000, 0.0002083600000000 ] - [ 0.0001106500000000, -0.0000323100000000, -0.0008227600000000 ] - [ -0.0152054100000000, -0.0019767700000000, -0.0031964300000000 ] - [ -0.0003724800000000, 0.0003503800000000, -0.0020054500000000 ] - [ 0.0030456100000000, -0.0012267200000000, -0.0019211200000000 ] - [ -0.0000437300000000, 0.0008791100000000, -0.0002325000000000 ] - [ -0.0007772300000000, -0.0013609800000000, 0.0023929200000000 ] - [ 0.0005261500000000, 0.0003418700000000, -0.0009120100000000 ] - [ 0.0009555000000000, 0.0012660500000000, -0.0030500200000000 ] - [ -0.0001616800000000, -0.0000115800000000, 0.0004429600000000 ] - [ 0.0010749700000000, -0.0011333900000000, 0.0001468000000000 ] - [ -0.0059626800000000, 0.0089208700000000, -0.0086174100000000 ] - [ -0.0004794400000000, 0.0002373700000000, -0.0009302300000000 ] - [ -0.0003819100000000, -0.0028983500000000, 0.0069494400000000 ] - [ -0.0004098800000000, -0.0005351000000000, -0.0005757600000000 ] - [ 0.0000875700000000, 0.0007137200000000, -0.0001678000000000 ] - [ 0.0005167700000000, -0.0012589800000000, -0.0025585600000000 ] - [ -0.0007632900000000, -0.0087718800000000, -0.0082793600000000 ] - [ 0.0006929600000000, 0.0003538900000000, 0.0014963000000000 ] - [ 0.0004055800000000, -0.0010230900000000, -0.0006620300000000 ] - [ -0.0003879600000000, 0.0010460800000000, 0.0004637900000000 ] - [ 0.0000895100000000, -0.0004900600000000, 0.0000166700000000 ] - [ -0.0000060400000000, -0.0008045800000000, 0.0013698100000000 ] - [ 0.0009316000000000, 0.0005026600000000, -0.0032033600000000 ] - [ -0.0000104700000000, -0.0002937700000000, -0.0001832100000000 ] - [ 0.0120781400000000, -0.0043339400000000, -0.0053807900000000 ] - [ 0.0004325000000000, 0.0003604600000000, 0.0012673700000000 ] - [ -0.0000040400000000, -0.0000126000000000, -0.0009764200000000 ] - [ -0.0003842200000000, -0.0003235600000000, 0.0007605900000000 ] - [ 0.0013951600000000, 0.0000063700000000, -0.0007524800000000 ] - [ -0.0025144300000000, 0.0002375200000000, 0.0025317000000000 ] - [ -0.0015866700000000, 0.0004403100000000, -0.0017926000000000 ] - [ 0.0001456000000000, -0.0001836200000000, 0.0006153100000000 ] - [ -0.0004438200000000, 0.0001893200000000, -0.0008218500000000 ] - [ -0.0000010800000000, 0.0012133800000000, -0.0000595300000000 ] - [ 0.0016641900000000, -0.0020812800000000, -0.0013449500000000 ] - [ -0.0000079500000000, -0.0011132300000000, 0.0022621900000000 ] - [ -0.0000032700000000, -0.0002876900000000, -0.0005979400000000 ] - [ -0.0001476800000000, 0.0004048900000000, -0.0006303400000000 ] - [ -0.0032415900000000, -0.0032268100000000, 0.0057740100000000 ] - [ 0.0004077500000000, -0.0004606400000000, -0.0014318800000000 ] - [ 0.0000750900000000, 0.0004627600000000, 0.0009910100000000 ] - [ 0.0006734400000000, 0.0064922600000000, -0.0032133200000000 ] - [ 0.0053132300000000, -0.0042861300000000, -0.0129897100000000 ] - [ 0.0030487500000000, -0.0023820900000000, 0.0038331400000000 ] - [ -0.0008778700000000, 0.0023040500000000, -0.0005151300000000 ] - [ 0.0000019200000000, 0.0004840100000000, 0.0015685400000000 ] - [ 0.0006583200000000, -0.0051412600000000, -0.0161332700000000 ] - [ 0.0035233100000000, 0.0006351000000000, -0.0025445000000000 ] - [ 0.0002562400000000, 0.0004536600000000, 0.0009645100000000 ] - [ -0.0006215000000000, 0.0008041300000000, 0.0024206100000000 ] - [ 0.0007328800000000, 0.0000465000000000, -0.0001266000000000 ] - [ -0.0000060700000000, 0.0006996800000000, -0.0015961300000000 ] - [ -0.0006280000000000, -0.0001025300000000, 0.0056800100000000 ] - [ -0.0025596900000000, -0.0004485800000000, -0.0005439200000000 ] - [ 0.0000977200000000, 0.0003493700000000, -0.0011131200000000 ] - [ -0.0005731300000000, 0.0006663400000000, 0.0004384400000000 ] - [ 0.0042317400000000, -0.0013202700000000, -0.0016321500000000 ] - [ -0.0003080500000000, 0.0001664200000000, 0.0026055400000000 ] - [ -0.0001543000000000, -0.0001774700000000, -0.0007872500000000 ] - [ -0.0003467800000000, -0.0007059900000000, -0.0019320200000000 ] - [ 0.0004811400000000, -0.0017508600000000, 0.0092329000000000 ] - [ 0.0003240900000000, 0.0004603400000000, 0.0017001000000000 ] - [ 0.0008598800000000, -0.0006668000000000, -0.0019573100000000 ] - [ -0.0011465900000000, 0.0000103100000000, 0.0040771100000000 ] - [ -0.0403230200000000, -0.0248149200000000, -0.0379971100000000 ] - [ -0.0004851000000000, -0.0006255200000000, 0.0006165900000000 ] - [ -0.0000010700000000, -0.0000336800000000, -0.0007203700000000 ] - [ 0.0001450400000000, 0.0001993000000000, 0.0024214300000000 ] - [ -0.0055026500000000, 0.0030287300000000, -0.0032951500000000 ] - [ 0.0004813700000000, 0.0000091700000000, 0.0013055400000000 ] - [ 0.0003596200000000, 0.0005680700000000, -0.0004712700000000 ] - [ -0.0011628100000000, 0.0049204600000000, 0.0015965800000000 ] - [ -0.0030511400000000, -0.0139253400000000, -0.0030017200000000 ] - [ 0.0014310200000000, -0.0001385100000000, 0.0014500600000000 ]- atom: 5 displacement: [ 0.0099999882271062, 0.0000000000000000, 0.0000153446321733 ] forces: - [ 0.0015275300000000, 0.0003855000000000, 0.0002212100000000 ] - [ -0.0002031700000000, -0.0002124800000000, -0.0005188500000000 ] - [ 0.0005573000000000, 0.0052700500000000, 0.0084716600000000 ] - [ 0.0005444300000000, -0.0000822500000000, 0.0000910700000000 ] - [ -0.0395501700000000, 0.0003060800000000, 0.0239164700000000 ] - [ 0.0002904000000000, -0.0000798600000000, 0.0005694100000000 ] - [ 0.0006326300000000, 0.0007904800000000, -0.0010196500000000 ] - [ -0.0000672300000000, -0.0001590900000000, -0.0004199600000000 ] - [ -0.0026570000000000, 0.0000467500000000, -0.0006919900000000 ] - [ 0.0039379300000000, 0.0003812500000000, -0.0000344500000000 ] - [ 0.0006964500000000, -0.0006468000000000, -0.0000519700000000 ] - [ -0.0078328500000000, 0.0018787400000000, -0.0057907600000000 ] - [ 0.0007208200000000, -0.0002324800000000, 0.0000159900000000 ] - [ -0.0006802800000000, -0.0046118600000000, 0.0008269700000000 ] - [ -0.0004093600000000, -0.0000141500000000, 0.0000604900000000 ] - [ 0.0025538900000000, 0.0001683600000000, 0.0000409400000000 ] - [ 0.0008664600000000, 0.0019922400000000, -0.0023262200000000 ] - [ 0.0018808000000000, 0.0001925100000000, -0.0001335500000000 ] - [ 0.0000088900000000, 0.0001780900000000, -0.0004141900000000 ] - [ 0.0007915800000000, -0.0003100900000000, 0.0006107800000000 ] - [ 0.0009175700000000, 0.0000439800000000, 0.0001343500000000 ] - [ 0.0008917900000000, 0.0007364000000000, -0.0002990900000000 ] - [ 0.0012632800000000, 0.0005929400000000, 0.0007593600000000 ] - [ 0.0005601700000000, -0.0005994500000000, -0.0003074900000000 ] - [ -0.0003783900000000, 0.0001716800000000, 0.0001296200000000 ] - [ 0.0010024400000000, -0.0003910000000000, 0.0007856300000000 ] - [ 0.0009552600000000, -0.0006837900000000, -0.0010139900000000 ] - [ 0.0042032200000000, -0.0008641700000000, -0.0000873200000000 ] - [ -0.0006697300000000, 0.0003473100000000, 0.0003609900000000 ] - [ 0.0005840500000000, 0.0001425400000000, -0.0000325400000000 ] - [ -0.0037834600000000, 0.0029334800000000, 0.0002342800000000 ] - [ 0.0007201000000000, -0.0002685400000000, 0.0003634300000000 ] - [ 0.0009259300000000, 0.0002402900000000, -0.0001271100000000 ] - [ -0.0007684000000000, 0.0003574400000000, -0.0004686100000000 ] - [ 0.0003944900000000, -0.0000617700000000, 0.0001895400000000 ] - [ -0.0002004500000000, 0.0001365200000000, -0.0002607400000000 ] - [ -0.0001913900000000, 0.0008384400000000, -0.0001822800000000 ] - [ 0.0003293500000000, 0.0001338300000000, 0.0001581400000000 ] - [ -0.0003553200000000, 0.0006872200000000, 0.0000561800000000 ] - [ 0.0004759600000000, 0.0006873200000000, -0.0000589800000000 ] - [ 0.0005373900000000, 0.0001972500000000, 0.0002489800000000 ] - [ -0.0002029400000000, -0.0005925800000000, 0.0000827700000000 ] - [ -0.0005884600000000, 0.0004618400000000, -0.0011398100000000 ] - [ 0.0014032000000000, -0.0010722000000000, 0.0004374900000000 ] - [ 0.0002597200000000, 0.0003080800000000, -0.0001008900000000 ] - [ -0.0009473200000000, 0.0013845700000000, -0.0011029600000000 ] - [ 0.0004435800000000, -0.0001120400000000, 0.0004753000000000 ] - [ -0.0011723800000000, 0.0004421400000000, 0.0004825300000000 ] - [ -0.0005497200000000, 0.0002430600000000, -0.0003196200000000 ] - [ 0.0063477700000000, -0.0086923500000000, -0.0077378900000000 ] - [ -0.0001144600000000, -0.0002806000000000, 0.0004271500000000 ] - [ 0.0006506100000000, 0.0024510000000000, -0.0013061500000000 ] - [ 0.0000950000000000, 0.0000553800000000, -0.0004143000000000 ] - [ -0.0005617900000000, -0.0028802000000000, 0.0024225900000000 ] - [ -0.0005872300000000, 0.0003280500000000, -0.0000632400000000 ] - [ 0.0003544200000000, -0.0005061800000000, -0.0005973900000000 ] - [ 0.0003176300000000, -0.0004080200000000, 0.0001071000000000 ] - [ -0.0006191100000000, -0.0007280900000000, 0.0004408900000000 ] - [ 0.0014019500000000, -0.0003526000000000, -0.0010672600000000 ] - [ -0.0016138700000000, 0.0003762800000000, -0.0008291200000000 ] - [ -0.0004268800000000, -0.0008389400000000, -0.0008241500000000 ] - [ 0.0130904100000000, 0.0027496700000000, -0.0007651400000000 ] - [ 0.0008503600000000, 0.0006921700000000, 0.0009115000000000 ] - [ -0.0055030100000000, 0.0007934100000000, 0.0011133000000000 ] - [ -0.0028986600000000, 0.0027291400000000, -0.0004923700000000 ] - [ -0.0004814400000000, 0.0004499800000000, 0.0004281600000000 ] - [ -0.0048190100000000, -0.0009310700000000, -0.0023854500000000 ] - [ -0.0006087300000000, 0.0002511900000000, 0.0001165500000000 ] - [ -0.0011924900000000, -0.0003797900000000, -0.0000551800000000 ] - [ 0.0010476300000000, 0.0003601000000000, 0.0007332100000000 ] - [ 0.0010561200000000, -0.0015815300000000, -0.0023112900000000 ] - [ -0.0017282400000000, 0.0002290300000000, 0.0002220700000000 ] - [ 0.0000663500000000, -0.0012586600000000, 0.0008889500000000 ] - [ -0.0020374800000000, -0.0005989000000000, 0.0001034400000000 ] - [ -0.0005555200000000, 0.0004344900000000, 0.0002738800000000 ] - [ 0.0010938900000000, 0.0005774600000000, -0.0013459200000000 ] - [ 0.0014895100000000, 0.0037074200000000, -0.0017776200000000 ] - [ 0.0007557900000000, -0.0001335000000000, -0.0009786400000000 ] - [ -0.0000946000000000, -0.0003921800000000, 0.0006058800000000 ] - [ 0.0001763000000000, 0.0003582400000000, 0.0002280800000000 ] - [ 0.0101074000000000, -0.0000276400000000, 0.0011935500000000 ] - [ -0.0025278100000000, 0.0014258800000000, -0.0020352200000000 ] - [ -0.0004368400000000, -0.0001372700000000, 0.0005429800000000 ] - [ 0.0004517200000000, -0.0004239000000000, 0.0015129100000000 ] - [ -0.0037835600000000, -0.0017549700000000, 0.0025255300000000 ] - [ -0.0000952700000000, 0.0009008500000000, -0.0006842500000000 ] - [ -0.0030332100000000, -0.0017587400000000, 0.0010691300000000 ] - [ 0.0006090400000000, 0.0007573800000000, 0.0002919300000000 ] - [ 0.0248859300000000, -0.0047321100000000, -0.0149941600000000 ] - [ 0.0001794300000000, -0.0001295000000000, -0.0000812900000000 ] - [ 0.0001795400000000, -0.0003183500000000, -0.0008126300000000 ] - [ 0.0005324400000000, 0.0009348300000000, 0.0023952900000000 ] - [ 0.0003779200000000, -0.0017725000000000, 0.0003249100000000 ] - [ -0.0014244600000000, 0.0002991000000000, -0.0003023300000000 ] - [ -0.0015680400000000, -0.0005110700000000, -0.0003263600000000 ] - [ 0.0009259900000000, -0.0010142100000000, 0.0004878500000000 ]- atom: 5 displacement: [ -0.0099999882271062, 0.0000000000000000, -0.0000153446321733 ] forces: - [ -0.0018669500000000, -0.0003668600000000, -0.0001698300000000 ] - [ 0.0005317100000000, 0.0002322600000000, 0.0004657900000000 ] - [ -0.0002093000000000, -0.0053203500000000, -0.0085829700000000 ] - [ -0.0008846000000000, 0.0000699900000000, -0.0000401700000000 ] - [ 0.0399445500000000, -0.0006607000000000, -0.0240161500000000 ] - [ -0.0004000000000000, -0.0001376000000000, -0.0008985000000000 ] - [ -0.0007418400000000, -0.0005677800000000, 0.0006774000000000 ] - [ 0.0001759500000000, 0.0003718700000000, 0.0007738500000000 ] - [ 0.0014564600000000, 0.0012087300000000, 0.0007003000000000 ] - [ -0.0027063900000000, 0.0008915600000000, 0.0000113600000000 ] - [ 0.0005046400000000, -0.0006307000000000, 0.0000308700000000 ] - [ 0.0065831600000000, -0.0031933600000000, 0.0058914200000000 ] - [ -0.0006035600000000, -0.0001269500000000, -0.0000222200000000 ] - [ 0.0005693000000000, 0.0042893700000000, -0.0008230000000000 ] - [ 0.0002977000000000, 0.0003739200000000, -0.0000534400000000 ] - [ -0.0024341900000000, 0.0001883500000000, -0.0000525700000000 ] - [ -0.0008802900000000, -0.0026847500000000, 0.0026370100000000 ] - [ -0.0018632500000000, -0.0008673100000000, -0.0001504200000000 ] - [ -0.0004097800000000, 0.0002057500000000, -0.0002013900000000 ] - [ -0.0003780700000000, 0.0006924600000000, 0.0000033400000000 ] - [ -0.0005002500000000, -0.0004221600000000, 0.0004844000000000 ] - [ -0.0012914000000000, -0.0011255800000000, -0.0003203000000000 ] - [ -0.0012566900000000, -0.0003901200000000, -0.0007580900000000 ] - [ -0.0005578700000000, 0.0003993600000000, 0.0003111300000000 ] - [ -0.0004924900000000, 0.0006600400000000, 0.0000843400000000 ] - [ -0.0001295700000000, 0.0012265200000000, -0.0010082400000000 ] - [ -0.0000819300000000, -0.0001472700000000, 0.0008087400000000 ] - [ -0.0051342500000000, 0.0000350400000000, 0.0003082100000000 ] - [ 0.0006648000000000, 0.0003229500000000, -0.0000748600000000 ] - [ -0.0005629700000000, 0.0005251300000000, -0.0002544200000000 ] - [ 0.0034660800000000, -0.0028854900000000, -0.0001751200000000 ] - [ -0.0004050500000000, 0.0002905000000000, -0.0004193400000000 ] - [ -0.0006093600000000, -0.0002626700000000, 0.0000663800000000 ] - [ 0.0004397500000000, -0.0003803400000000, 0.0005302900000000 ] - [ -0.0002865300000000, -0.0001511500000000, 0.0001596100000000 ] - [ 0.0000937700000000, -0.0003522700000000, -0.0000757100000000 ] - [ 0.0000863300000000, -0.0006250200000000, -0.0001616600000000 ] - [ -0.0002210700000000, 0.0000766600000000, 0.0001911500000000 ] - [ -0.0008447000000000, 0.0005717000000000, -0.0000406200000000 ] - [ 0.0007314100000000, 0.0005938600000000, 0.0000366700000000 ] - [ 0.0006664800000000, -0.0014699300000000, -0.0002672600000000 ] - [ -0.0009978700000000, -0.0006672000000000, -0.0000709800000000 ] - [ 0.0007049600000000, -0.0007967200000000, 0.0010870900000000 ] - [ -0.0015231500000000, 0.0007061600000000, -0.0004304800000000 ] - [ -0.0003799600000000, 0.0000532900000000, 0.0001091700000000 ] - [ 0.0010666900000000, -0.0010468800000000, 0.0011161800000000 ] - [ -0.0004627500000000, -0.0005553900000000, -0.0001882100000000 ] - [ 0.0011908100000000, -0.0011143000000000, -0.0007787900000000 ] - [ 0.0001480600000000, 0.0001432900000000, -0.0002978100000000 ] - [ -0.0059037500000000, 0.0089774600000000, 0.0082515600000000 ] - [ 0.0005153300000000, -0.0001028000000000, 0.0001914200000000 ] - [ -0.0010543900000000, -0.0028099200000000, 0.0006772200000000 ] - [ -0.0001044900000000, 0.0001449300000000, 0.0004157800000000 ] - [ 0.0005561800000000, 0.0026481600000000, -0.0023995600000000 ] - [ -0.0002872900000000, 0.0004998300000000, 0.0002733400000000 ] - [ 0.0005171300000000, 0.0013331700000000, 0.0003816300000000 ] - [ 0.0005531300000000, -0.0004240100000000, -0.0003195000000000 ] - [ -0.0002570200000000, -0.0000993700000000, -0.0002316300000000 ] - [ -0.0014158100000000, 0.0010207200000000, 0.0013485100000000 ] - [ 0.0016310500000000, 0.0002925900000000, 0.0005392800000000 ] - [ 0.0004976100000000, -0.0000375900000000, 0.0002367400000000 ] - [ -0.0132261800000000, -0.0038010000000000, 0.0014091200000000 ] - [ -0.0009161800000000, 0.0001814000000000, -0.0003251000000000 ] - [ 0.0055687700000000, 0.0000873400000000, -0.0016821100000000 ] - [ 0.0028715100000000, -0.0033047900000000, 0.0005753400000000 ] - [ 0.0005146300000000, -0.0010012500000000, -0.0005118000000000 ] - [ 0.0048594300000000, 0.0014959000000000, 0.0023386200000000 ] - [ 0.0005742100000000, 0.0002983900000000, -0.0000442000000000 ] - [ 0.0007847100000000, -0.0002170900000000, 0.0003370100000000 ] - [ -0.0006460800000000, -0.0009646800000000, -0.0010157600000000 ] - [ -0.0006493400000000, 0.0021728900000000, 0.0020261600000000 ] - [ 0.0013168300000000, 0.0003649100000000, 0.0000678200000000 ] - [ -0.0000168900000000, 0.0003902800000000, -0.0014785400000000 ] - [ 0.0019724700000000, -0.0002679900000000, 0.0004798600000000 ] - [ 0.0004900800000000, 0.0004358500000000, 0.0003068800000000 ] - [ -0.0010401300000000, 0.0002922900000000, 0.0007677300000000 ] - [ -0.0015092100000000, -0.0042480700000000, 0.0018562300000000 ] - [ -0.0007030500000000, -0.0004122400000000, 0.0008932400000000 ] - [ 0.0001447200000000, 0.0009361000000000, -0.0006767300000000 ] - [ -0.0002057000000000, 0.0001901400000000, -0.0001511700000000 ] - [ -0.0104882000000000, -0.0003513900000000, -0.0010995600000000 ] - [ 0.0029301700000000, -0.0020088000000000, 0.0017407600000000 ] - [ 0.0008505200000000, 0.0007314700000000, -0.0008194000000000 ] - [ -0.0008661300000000, 0.0010469900000000, -0.0012568900000000 ] - [ 0.0037963400000000, 0.0018083500000000, -0.0025524600000000 ] - [ 0.0000876200000000, -0.0009445300000000, 0.0006899800000000 ] - [ 0.0039786100000000, 0.0025923900000000, -0.0005496700000000 ] - [ -0.0015698600000000, 0.0001012300000000, -0.0008065400000000 ] - [ -0.0261017800000000, 0.0041022100000000, 0.0151417800000000 ] - [ 0.0007832900000000, -0.0007263700000000, 0.0005834500000000 ] - [ -0.0001700200000000, 0.0003516800000000, 0.0008102300000000 ] - [ -0.0005273600000000, -0.0009673900000000, -0.0023846700000000 ] - [ 0.0005557300000000, 0.0026342100000000, 0.0001817700000000 ] - [ 0.0004659100000000, 0.0005601000000000, -0.0002048400000000 ] - [ 0.0006094400000000, -0.0003410600000000, -0.0001799700000000 ] - [ 0.0000269500000000, 0.0001595000000000, 0.0000164600000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000826900000000, -0.0001284000000000, 0.0004273500000000 ] - [ -0.0002332400000000, -0.0007286500000000, 0.0012088600000000 ] - [ 0.0042173200000000, 0.0011684800000000, 0.0083371500000000 ] - [ -0.0000415900000000, -0.0004669000000000, 0.0000397100000000 ] - [ 0.0003377900000000, -0.1417100000000000, -0.0053755700000000 ] - [ -0.0000833300000000, -0.0015969200000000, -0.0006108600000000 ] - [ 0.0006253300000000, -0.0021361600000000, -0.0006234600000000 ] - [ 0.0003223100000000, -0.0023613500000000, -0.0025652400000000 ] - [ -0.0007866600000000, -0.0069987100000000, -0.0019758200000000 ] - [ 0.0013001900000000, -0.0029922600000000, 0.0005216900000000 ] - [ 0.0006718400000000, -0.0018653700000000, -0.0005663200000000 ] - [ 0.0018527800000000, -0.0026044800000000, -0.0204946200000000 ] - [ 0.0000797900000000, -0.0002346100000000, 0.0003895900000000 ] - [ -0.0126742800000000, 0.0081577200000000, -0.0000720900000000 ] - [ 0.0006554300000000, -0.0004370300000000, -0.0003676800000000 ] - [ -0.0002025300000000, 0.0002579400000000, 0.0002047200000000 ] - [ 0.0059532500000000, 0.0000785900000000, -0.0019044600000000 ] - [ 0.0001203800000000, -0.0006715000000000, 0.0000550300000000 ] - [ -0.0003272300000000, 0.0007146800000000, -0.0004766500000000 ] - [ -0.0015266900000000, 0.0010939200000000, -0.0000213500000000 ] - [ 0.0011807100000000, 0.0000234800000000, -0.0001583600000000 ] - [ 0.0015321000000000, 0.0004679800000000, 0.0002155000000000 ] - [ 0.0013036100000000, 0.0002054500000000, 0.0007129900000000 ] - [ -0.0014646900000000, -0.0000112800000000, 0.0014368700000000 ] - [ -0.0006422800000000, -0.0009022000000000, -0.0004568000000000 ] - [ 0.0000614700000000, -0.0016936100000000, -0.0004863100000000 ] - [ 0.0007624600000000, -0.0022103700000000, -0.0005681200000000 ] - [ -0.0000198700000000, -0.0038980800000000, 0.0008468400000000 ] - [ -0.0019537200000000, 0.0000921000000000, -0.0010654800000000 ] - [ -0.0000668600000000, 0.0003541400000000, -0.0006276400000000 ] - [ 0.0024488400000000, 0.0177219800000000, 0.0029420800000000 ] - [ -0.0010373600000000, 0.0003800400000000, -0.0005270500000000 ] - [ 0.0014778100000000, 0.0006789500000000, -0.0005629800000000 ] - [ -0.0005200000000000, 0.0013577100000000, -0.0013654000000000 ] - [ 0.0000997400000000, 0.0014249900000000, 0.0001345400000000 ] - [ -0.0003045200000000, 0.0026280500000000, 0.0009533300000000 ] - [ 0.0006735800000000, 0.0041659000000000, 0.0004516100000000 ] - [ 0.0000248900000000, 0.0010806000000000, 0.0002419300000000 ] - [ -0.0005912500000000, 0.0019087100000000, 0.0004704700000000 ] - [ 0.0014703200000000, 0.0065655600000000, -0.0004602400000000 ] - [ 0.0007052800000000, 0.0014473900000000, 0.0002948400000000 ] - [ -0.0005630800000000, 0.0009840100000000, -0.0002228600000000 ] - [ -0.0000401700000000, 0.0047043800000000, -0.0095729500000000 ] - [ -0.0022983500000000, -0.0003680700000000, 0.0001407600000000 ] - [ 0.0002669000000000, 0.0004134900000000, -0.0002996500000000 ] - [ -0.0001859000000000, 0.0095993700000000, -0.0108628100000000 ] - [ 0.0010160200000000, 0.0002220700000000, 0.0011694800000000 ] - [ 0.0012088100000000, 0.0070239900000000, 0.0065058800000000 ] - [ -0.0009932000000000, -0.0005911800000000, -0.0007329000000000 ] - [ -0.0102488500000000, 0.0031244600000000, 0.0090147200000000 ] - [ 0.0004796600000000, -0.0007726300000000, 0.0010578200000000 ] - [ 0.0088463800000000, 0.0019610600000000, -0.0018873500000000 ] - [ 0.0018905000000000, 0.0007135500000000, -0.0016413300000000 ] - [ -0.0071654100000000, 0.0034546900000000, -0.0021944400000000 ] - [ -0.0006126600000000, 0.0022109500000000, -0.0002775200000000 ] - [ 0.0001989400000000, 0.0044416300000000, 0.0002127200000000 ] - [ 0.0008911700000000, 0.0026811100000000, 0.0010942200000000 ] - [ -0.0002724700000000, 0.0045201300000000, -0.0001924300000000 ] - [ -0.0012255800000000, 0.0009718500000000, 0.0009931400000000 ] - [ -0.0002165500000000, 0.0005913800000000, 0.0003533300000000 ] - [ -0.0005663500000000, 0.0008955700000000, -0.0010543700000000 ] - [ 0.0054383600000000, 0.0282392900000000, -0.0033208500000000 ] - [ 0.0000715800000000, 0.0045353300000000, 0.0022804300000000 ] - [ 0.0044223900000000, 0.0043069500000000, -0.0002767100000000 ] - [ 0.0053718100000000, 0.0027093800000000, 0.0000986600000000 ] - [ 0.0007082000000000, 0.0011778400000000, -0.0007621400000000 ] - [ -0.0032095300000000, 0.0035674200000000, 0.0001491600000000 ] - [ -0.0005809200000000, 0.0019376100000000, 0.0000473600000000 ] - [ -0.0002348200000000, -0.0017686100000000, -0.0006298900000000 ] - [ 0.0035935300000000, -0.0055771100000000, -0.0039810300000000 ] - [ -0.0001551400000000, -0.0026131900000000, -0.0020937800000000 ] - [ -0.0001304400000000, -0.0005767400000000, 0.0001576900000000 ] - [ -0.0029446000000000, -0.0033939200000000, 0.0016130000000000 ] - [ -0.0000619600000000, -0.0021594500000000, 0.0000402000000000 ] - [ -0.0001386600000000, -0.0007584400000000, 0.0004855800000000 ] - [ 0.0042376700000000, -0.0062722900000000, 0.0013275600000000 ] - [ 0.0062277800000000, -0.0079636600000000, -0.0011150700000000 ] - [ 0.0029004400000000, -0.0037081400000000, 0.0023395900000000 ] - [ -0.0041509800000000, -0.0057920700000000, 0.0010990700000000 ] - [ -0.0004964800000000, -0.0019129300000000, 0.0007155400000000 ] - [ 0.0021898700000000, 0.0286382400000000, -0.0089999400000000 ] - [ 0.0032080100000000, 0.0026720800000000, -0.0002486600000000 ] - [ -0.0008837000000000, 0.0010600100000000, 0.0009678000000000 ] - [ -0.0000194100000000, -0.0010723600000000, 0.0074804100000000 ] - [ -0.0031266100000000, 0.0036519100000000, -0.0006640800000000 ] - [ 0.0014195500000000, 0.0013851000000000, 0.0011453200000000 ] - [ -0.0045310400000000, 0.0047961500000000, 0.0006831100000000 ] - [ -0.0009422500000000, 0.0037563800000000, -0.0011905600000000 ] - [ -0.0040781000000000, 0.0468786900000000, 0.0385664100000000 ] - [ 0.0009527500000000, 0.0013573500000000, 0.0005577900000000 ] - [ -0.0044949500000000, -0.0054932100000000, -0.0021590500000000 ] - [ 0.0004698200000000, -0.0025760300000000, -0.0010358300000000 ] - [ -0.0073989800000000, -0.0070280800000000, -0.0032103900000000 ] - [ -0.0004065500000000, -0.0012389300000000, -0.0001175500000000 ] - [ -0.0004016500000000, -0.0029748600000000, -0.0004629000000000 ] - [ 0.0012813700000000, -0.0028979700000000, 0.0003576700000000 ]- atom: 5 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004032600000000, 0.0001420800000000, -0.0003695200000000 ] - [ 0.0005520100000000, 0.0007381300000000, -0.0012503900000000 ] - [ -0.0038589300000000, -0.0010857100000000, -0.0083297900000000 ] - [ -0.0002876400000000, 0.0004466000000000, 0.0000185600000000 ] - [ -0.0006376100000000, 0.1396068700000000, 0.0062643600000000 ] - [ -0.0000268200000000, 0.0013761400000000, 0.0002621100000000 ] - [ -0.0007337800000000, 0.0023174300000000, 0.0002622100000000 ] - [ -0.0002145200000000, 0.0025626300000000, 0.0029263600000000 ] - [ -0.0004083800000000, 0.0082599000000000, 0.0019912000000000 ] - [ -0.0001263400000000, 0.0042280900000000, -0.0005321800000000 ] - [ 0.0005297700000000, 0.0005816900000000, 0.0005473400000000 ] - [ -0.0030642300000000, 0.0010745600000000, 0.0205812500000000 ] - [ 0.0000387500000000, -0.0001287000000000, -0.0003925400000000 ] - [ 0.0123821700000000, -0.0084660400000000, 0.0000735600000000 ] - [ -0.0007739800000000, 0.0008006000000000, 0.0003871300000000 ] - [ 0.0003204800000000, 0.0001154400000000, -0.0002132700000000 ] - [ -0.0059848700000000, -0.0007358600000000, 0.0021838500000000 ] - [ -0.0001065800000000, 0.0000034800000000, -0.0003435700000000 ] - [ -0.0000846400000000, -0.0003367400000000, -0.0001346400000000 ] - [ 0.0019080200000000, -0.0007092900000000, 0.0006307000000000 ] - [ -0.0007643200000000, -0.0003940000000000, 0.0007759100000000 ] - [ -0.0019449200000000, -0.0008248100000000, -0.0008421900000000 ] - [ -0.0012863500000000, 0.0000024300000000, -0.0006958500000000 ] - [ 0.0014476700000000, -0.0001992700000000, -0.0014251400000000 ] - [ -0.0002296900000000, 0.0017188800000000, 0.0006669000000000 ] - [ 0.0008167500000000, 0.0024973300000000, 0.0002768200000000 ] - [ 0.0001095300000000, 0.0013766500000000, 0.0003538200000000 ] - [ -0.0008113200000000, 0.0030493700000000, -0.0006413800000000 ] - [ 0.0019429800000000, 0.0005661700000000, 0.0013379000000000 ] - [ 0.0000824000000000, 0.0003150200000000, 0.0003423900000000 ] - [ -0.0028004700000000, -0.0179730600000000, -0.0029228700000000 ] - [ 0.0013551000000000, -0.0003495000000000, 0.0004651300000000 ] - [ -0.0011391700000000, -0.0006976700000000, 0.0004979300000000 ] - [ 0.0001940400000000, -0.0013866800000000, 0.0014328000000000 ] - [ 0.0000087600000000, -0.0016302500000000, 0.0002083400000000 ] - [ 0.0001904600000000, -0.0028298100000000, -0.0012820700000000 ] - [ -0.0007851200000000, -0.0039182500000000, -0.0008257200000000 ] - [ 0.0000834300000000, -0.0008628300000000, 0.0001161900000000 ] - [ -0.0006083000000000, -0.0006458800000000, -0.0004538400000000 ] - [ -0.0002869400000000, -0.0052914900000000, 0.0004403100000000 ] - [ 0.0004947700000000, -0.0026934400000000, -0.0002936100000000 ] - [ -0.0006384200000000, -0.0022380300000000, 0.0002330200000000 ] - [ 0.0001552800000000, -0.0051068300000000, 0.0095988600000000 ] - [ 0.0021751500000000, 0.0000195800000000, -0.0001435700000000 ] - [ -0.0003823900000000, -0.0000516000000000, 0.0003095700000000 ] - [ 0.0003001100000000, -0.0091256900000000, 0.0106787700000000 ] - [ -0.0010129200000000, -0.0008991900000000, -0.0008730300000000 ] - [ -0.0011826300000000, -0.0076162900000000, -0.0066989100000000 ] - [ 0.0005892100000000, 0.0009747900000000, 0.0001232600000000 ] - [ 0.0106183300000000, -0.0026358600000000, -0.0084067300000000 ] - [ -0.0000722400000000, 0.0003845300000000, -0.0004305100000000 ] - [ -0.0091441100000000, -0.0023497000000000, 0.0012529300000000 ] - [ -0.0018890200000000, -0.0005234600000000, 0.0016296000000000 ] - [ 0.0071992400000000, -0.0036497300000000, 0.0021952100000000 ] - [ -0.0002593400000000, -0.0013756100000000, 0.0004934800000000 ] - [ 0.0006744900000000, -0.0035706800000000, -0.0004281600000000 ] - [ -0.0000105100000000, -0.0034940100000000, -0.0012873500000000 ] - [ -0.0005862600000000, -0.0053107400000000, 0.0003894500000000 ] - [ 0.0012004500000000, -0.0002859800000000, -0.0006929500000000 ] - [ 0.0002278300000000, 0.0000888400000000, -0.0006201100000000 ] - [ 0.0006346900000000, -0.0017576900000000, 0.0004576900000000 ] - [ -0.0050774100000000, -0.0262731300000000, 0.0032138200000000 ] - [ -0.0001395700000000, -0.0036584100000000, -0.0017117800000000 ] - [ -0.0042806200000000, -0.0034127900000000, -0.0003175500000000 ] - [ -0.0053679800000000, -0.0032005300000000, -0.0000127500000000 ] - [ -0.0006722700000000, -0.0017130200000000, 0.0006728800000000 ] - [ 0.0031687900000000, -0.0030199900000000, -0.0002371200000000 ] - [ 0.0005474900000000, -0.0013803500000000, 0.0000237900000000 ] - [ -0.0001685700000000, 0.0011705200000000, 0.0009071600000000 ] - [ -0.0031472100000000, 0.0049645400000000, 0.0036560200000000 ] - [ 0.0005515400000000, 0.0031416600000000, 0.0017746800000000 ] - [ -0.0002712800000000, 0.0011532900000000, 0.0001205100000000 ] - [ 0.0030243600000000, 0.0025039400000000, -0.0022077600000000 ] - [ -0.0000054700000000, 0.0012638500000000, 0.0005495500000000 ] - [ 0.0000686900000000, 0.0016289000000000, 0.0000957300000000 ] - [ -0.0041212500000000, 0.0071184600000000, -0.0018816600000000 ] - [ -0.0062931100000000, 0.0073308800000000, 0.0012482600000000 ] - [ -0.0028744800000000, 0.0031434200000000, -0.0024268200000000 ] - [ 0.0041361800000000, 0.0063012700000000, -0.0011504100000000 ] - [ 0.0004647100000000, 0.0024603400000000, -0.0006422700000000 ] - [ -0.0026885300000000, -0.0301185100000000, 0.0106483300000000 ] - [ -0.0028007000000000, -0.0032768800000000, -0.0000123800000000 ] - [ 0.0012823000000000, -0.0004573100000000, -0.0012419700000000 ] - [ -0.0003903200000000, 0.0017538100000000, -0.0072191300000000 ] - [ 0.0031153100000000, -0.0036377000000000, 0.0006894100000000 ] - [ -0.0014167900000000, -0.0014016000000000, -0.0011476500000000 ] - [ 0.0054567700000000, -0.0038600300000000, -0.0001684500000000 ] - [ -0.0000104300000000, -0.0028667500000000, 0.0006605300000000 ] - [ 0.0032752100000000, -0.0475938400000000, -0.0403157100000000 ] - [ 0.0000041900000000, -0.0022087400000000, -0.0000550900000000 ] - [ 0.0044343700000000, 0.0054885700000000, 0.0021330500000000 ] - [ -0.0004637800000000, 0.0025009700000000, 0.0010132500000000 ] - [ 0.0083975400000000, 0.0078399300000000, 0.0037637500000000 ] - [ -0.0005491900000000, 0.0020917000000000, -0.0003919000000000 ] - [ -0.0005510400000000, 0.0020955500000000, -0.0000474200000000 ] - [ -0.0003232600000000, 0.0020310700000000, 0.0001420600000000 ]- atom: 5 displacement: [ -0.0005876189178017, 0.0000000000000000, 0.0099827202709202 ] forces: - [ -0.0005480900000000, -0.0000856300000000, -0.0006227200000000 ] - [ -0.0012389100000000, 0.0021761500000000, 0.0007734000000000 ] - [ 0.0087704700000000, 0.0101590600000000, 0.0089228400000000 ] - [ 0.0001372800000000, -0.0002167500000000, 0.0010648200000000 ] - [ 0.0261436100000000, -0.0035082900000000, -0.2285539500000000 ] - [ 0.0006563700000000, 0.0003241000000000, 0.0005662600000000 ] - [ -0.0009439000000000, -0.0003715100000000, -0.0003687300000000 ] - [ -0.0005499500000000, 0.0028712900000000, 0.0070083300000000 ] - [ -0.0007371200000000, 0.0046067300000000, 0.0188687800000000 ] - [ 0.0006723700000000, 0.0013285500000000, -0.0025797300000000 ] - [ 0.0006860300000000, 0.0000765700000000, 0.0012078500000000 ] - [ -0.0052959600000000, -0.0234946800000000, 0.0347909500000000 ] - [ 0.0000032700000000, 0.0001910800000000, 0.0000719000000000 ] - [ 0.0021454400000000, -0.0007269100000000, -0.0027483600000000 ] - [ -0.0015892900000000, 0.0001491700000000, 0.0027592900000000 ] - [ -0.0000936200000000, 0.0011565500000000, -0.0003178000000000 ] - [ -0.0074630500000000, -0.0026496000000000, 0.0015205300000000 ] - [ -0.0006000600000000, -0.0007818700000000, -0.0011518800000000 ] - [ -0.0002950700000000, 0.0003504900000000, 0.0004953500000000 ] - [ 0.0006116600000000, 0.0001511600000000, -0.0000701100000000 ] - [ -0.0009446300000000, -0.0002579800000000, 0.0012222400000000 ] - [ 0.0000204900000000, 0.0003727800000000, -0.0022299200000000 ] - [ 0.0016820900000000, 0.0004174300000000, 0.0021191000000000 ] - [ -0.0002284800000000, 0.0000337500000000, -0.0007979900000000 ] - [ -0.0003071700000000, 0.0008850700000000, 0.0013650600000000 ] - [ 0.0012751900000000, -0.0000252900000000, -0.0002872900000000 ] - [ -0.0004878200000000, 0.0004473600000000, 0.0008149800000000 ] - [ -0.0016426300000000, 0.0004922800000000, -0.0026592500000000 ] - [ 0.0020184800000000, -0.0005304600000000, 0.0006150600000000 ] - [ 0.0001554600000000, 0.0000652300000000, 0.0004668400000000 ] - [ -0.0005012900000000, -0.0038950000000000, -0.0068393800000000 ] - [ 0.0014844200000000, -0.0002214500000000, 0.0004369200000000 ] - [ -0.0004286800000000, -0.0001627100000000, -0.0000510600000000 ] - [ 0.0001339400000000, -0.0014455300000000, 0.0028075500000000 ] - [ 0.0000516200000000, -0.0001496100000000, -0.0003431800000000 ] - [ -0.0001441100000000, -0.0012513700000000, 0.0001917400000000 ] - [ -0.0000599700000000, 0.0006943100000000, -0.0011365700000000 ] - [ 0.0000197700000000, 0.0000414900000000, 0.0010267800000000 ] - [ -0.0005891200000000, 0.0000985500000000, 0.0000302800000000 ] - [ 0.0003905200000000, -0.0000004300000000, -0.0009655800000000 ] - [ 0.0005216100000000, -0.0002754300000000, 0.0021774900000000 ] - [ -0.0006440300000000, -0.0006416800000000, -0.0002065400000000 ] - [ 0.0001931400000000, -0.0055877200000000, 0.0110613300000000 ] - [ -0.0003502500000000, 0.0003480000000000, -0.0025719100000000 ] - [ -0.0000516800000000, 0.0002475600000000, 0.0009172800000000 ] - [ 0.0002626400000000, -0.0019288100000000, -0.0006162000000000 ] - [ 0.0001859400000000, -0.0002072500000000, -0.0004862100000000 ] - [ 0.0001092100000000, -0.0002472500000000, -0.0032924700000000 ] - [ 0.0011792300000000, 0.0003080500000000, 0.0012758300000000 ] - [ -0.0122145500000000, 0.0120780100000000, 0.0034256200000000 ] - [ 0.0010621700000000, 0.0018206100000000, 0.0016013300000000 ] - [ -0.0022986400000000, -0.0007362300000000, -0.0017565500000000 ] - [ -0.0019534100000000, -0.0013087400000000, 0.0012907400000000 ] - [ 0.0083295300000000, -0.0054544700000000, -0.0014282300000000 ] - [ -0.0003680800000000, 0.0000738200000000, 0.0020056200000000 ] - [ 0.0003466500000000, 0.0013450000000000, 0.0000122500000000 ] - [ 0.0005428100000000, -0.0018062200000000, -0.0002209900000000 ] - [ -0.0002818500000000, -0.0004578700000000, -0.0011900200000000 ] - [ -0.0012773600000000, 0.0010967600000000, 0.0018936800000000 ] - [ -0.0002866900000000, 0.0001720600000000, 0.0033862600000000 ] - [ -0.0011542800000000, -0.0014250200000000, -0.0010065700000000 ] - [ -0.0025249800000000, -0.0058403200000000, 0.0217106200000000 ] - [ 0.0006706900000000, 0.0008606300000000, -0.0088091500000000 ] - [ 0.0063649200000000, 0.0011303100000000, 0.0008334700000000 ] - [ -0.0004051500000000, -0.0012669700000000, 0.0019365400000000 ] - [ 0.0012960500000000, -0.0012420700000000, -0.0009606500000000 ] - [ -0.0058590400000000, 0.0005688200000000, 0.0025874800000000 ] - [ 0.0004999400000000, -0.0000024200000000, -0.0024662900000000 ] - [ -0.0001776700000000, -0.0001548900000000, 0.0010237600000000 ] - [ 0.0004288300000000, -0.0009340300000000, 0.0019409500000000 ] - [ 0.0002676800000000, -0.0039062500000000, -0.0061357200000000 ] - [ -0.0002158800000000, -0.0001558600000000, -0.0010061700000000 ] - [ 0.0036810700000000, 0.0024962800000000, -0.0035577000000000 ] - [ 0.0001368300000000, -0.0002294900000000, 0.0018040900000000 ] - [ 0.0000072000000000, 0.0007277800000000, -0.0005037600000000 ] - [ -0.0013859000000000, 0.0016992700000000, 0.0008085200000000 ] - [ -0.0014290700000000, -0.0026836200000000, 0.0078306100000000 ] - [ -0.0034852900000000, 0.0026122800000000, -0.0026412600000000 ] - [ 0.0012800500000000, 0.0016075000000000, 0.0006380500000000 ] - [ 0.0004034400000000, 0.0005636900000000, -0.0022087900000000 ] - [ -0.0030699100000000, -0.0133511200000000, 0.0191466400000000 ] - [ -0.0033622200000000, -0.0012004300000000, 0.0018793800000000 ] - [ 0.0013035600000000, 0.0003067200000000, -0.0018049000000000 ] - [ -0.0010256700000000, 0.0090195700000000, -0.0107158500000000 ] - [ 0.0051420400000000, -0.0018322300000000, 0.0015473500000000 ] - [ -0.0014537000000000, -0.0002138900000000, -0.0017489800000000 ] - [ 0.0020071000000000, -0.0002992900000000, 0.0021538200000000 ] - [ 0.0005187600000000, -0.0077063800000000, -0.0076566500000000 ] - [ -0.0142674000000000, 0.0357956500000000, 0.1325397400000000 ] - [ -0.0007370800000000, -0.0010634300000000, -0.0015464700000000 ] - [ -0.0001825500000000, 0.0004036700000000, 0.0018225500000000 ] - [ 0.0002117900000000, -0.0021093300000000, -0.0040092500000000 ] - [ 0.0021842200000000, 0.0001962200000000, 0.0042251300000000 ] - [ -0.0005534100000000, 0.0015635200000000, -0.0011087700000000 ] - [ -0.0003672500000000, -0.0000172800000000, 0.0002486100000000 ] - [ -0.0001236600000000, -0.0000698200000000, -0.0014920500000000 ]- atom: 5 displacement: [ 0.0005876189178017, 0.0000000000000000, -0.0099827202709202 ] forces: - [ 0.0002055800000000, 0.0000943600000000, 0.0006702700000000 ] - [ 0.0015494700000000, -0.0021347600000000, -0.0008392800000000 ] - [ -0.0085531500000000, -0.0102770300000000, -0.0090737200000000 ] - [ -0.0004748400000000, 0.0002005900000000, -0.0010087800000000 ] - [ -0.0271143400000000, 0.0082576200000000, 0.2366985300000000 ] - [ -0.0007657300000000, -0.0005322700000000, -0.0009180800000000 ] - [ 0.0008280000000000, 0.0005885300000000, 0.0000359900000000 ] - [ 0.0006581700000000, -0.0026436100000000, -0.0066308000000000 ] - [ -0.0004497700000000, -0.0032844000000000, -0.0186035800000000 ] - [ 0.0004974800000000, -0.0000334900000000, 0.0025552400000000 ] - [ 0.0005156300000000, -0.0013524500000000, -0.0012250500000000 ] - [ 0.0042329300000000, 0.0226857000000000, -0.0354368300000000 ] - [ 0.0001153500000000, -0.0005499600000000, -0.0000843400000000 ] - [ -0.0021906400000000, 0.0002996800000000, 0.0027546300000000 ] - [ 0.0014543900000000, 0.0002099100000000, -0.0027401300000000 ] - [ 0.0002084500000000, -0.0007917600000000, 0.0003129400000000 ] - [ 0.0073709000000000, 0.0019698900000000, -0.0012438300000000 ] - [ 0.0006131700000000, 0.0001116700000000, 0.0008586900000000 ] - [ -0.0001081600000000, 0.0000353700000000, -0.0011089100000000 ] - [ -0.0001935200000000, 0.0002245800000000, 0.0006922700000000 ] - [ 0.0013426700000000, -0.0001247500000000, -0.0006037900000000 ] - [ -0.0004261800000000, -0.0007565400000000, 0.0016117700000000 ] - [ -0.0016884700000000, -0.0002163300000000, -0.0021129100000000 ] - [ 0.0002333400000000, -0.0002347700000000, 0.0007810500000000 ] - [ -0.0005672800000000, -0.0000477100000000, -0.0011464500000000 ] - [ -0.0004014500000000, 0.0008607800000000, 0.0000849100000000 ] - [ 0.0013531100000000, -0.0012689600000000, -0.0010299300000000 ] - [ 0.0007944700000000, -0.0013112500000000, 0.0028597000000000 ] - [ -0.0020416600000000, 0.0012166900000000, -0.0003159000000000 ] - [ -0.0001366600000000, 0.0006081000000000, -0.0007461200000000 ] - [ 0.0001750300000000, 0.0039436800000000, 0.0068434800000000 ] - [ -0.0011550200000000, 0.0002459600000000, -0.0004963500000000 ] - [ 0.0007447600000000, 0.0001366100000000, 0.0000007500000000 ] - [ -0.0004674600000000, 0.0014374700000000, -0.0027614200000000 ] - [ 0.0000609200000000, -0.0000659000000000, 0.0006966800000000 ] - [ 0.0000301500000000, 0.0010218800000000, -0.0005447900000000 ] - [ -0.0000536000000000, -0.0005014600000000, 0.0007900600000000 ] - [ 0.0000925400000000, 0.0001683800000000, -0.0006706400000000 ] - [ -0.0006078800000000, 0.0011624100000000, -0.0000185100000000 ] - [ 0.0008100800000000, 0.0012648600000000, 0.0009444300000000 ] - [ 0.0006733600000000, -0.0010080000000000, -0.0021924800000000 ] - [ -0.0005518700000000, -0.0006301600000000, 0.0002243400000000 ] - [ -0.0000690900000000, 0.0051922200000000, -0.0109752000000000 ] - [ 0.0002343200000000, -0.0007040800000000, 0.0025711800000000 ] - [ -0.0000620000000000, 0.0001127500000000, -0.0009063700000000 ] - [ -0.0001409700000000, 0.0022463400000000, 0.0007115600000000 ] - [ -0.0002050400000000, -0.0004686300000000, 0.0007593200000000 ] - [ -0.0000908200000000, -0.0004419900000000, 0.0029797500000000 ] - [ -0.0015614700000000, 0.0000784000000000, -0.0018847200000000 ] - [ 0.0127276000000000, -0.0117876200000000, -0.0028218600000000 ] - [ -0.0006465300000000, -0.0021889500000000, -0.0009863100000000 ] - [ 0.0018490700000000, 0.0003229700000000, 0.0011602000000000 ] - [ 0.0019632300000000, 0.0015194300000000, -0.0012770900000000 ] - [ -0.0082487200000000, 0.0052358300000000, 0.0013904900000000 ] - [ -0.0005004100000000, 0.0007520100000000, -0.0017867900000000 ] - [ 0.0005256200000000, -0.0005253600000000, -0.0002189700000000 ] - [ 0.0003304000000000, 0.0009576300000000, -0.0000069500000000 ] - [ -0.0005922200000000, -0.0003854200000000, 0.0013983100000000 ] - [ 0.0012604900000000, -0.0004154000000000, -0.0015988200000000 ] - [ 0.0003097800000000, 0.0004931200000000, -0.0036506300000000 ] - [ 0.0012075600000000, 0.0005393300000000, 0.0004289200000000 ] - [ 0.0024505800000000, 0.0050842200000000, -0.0211664600000000 ] - [ -0.0007320000000000, 0.0000349200000000, 0.0093520800000000 ] - [ -0.0062827300000000, -0.0002673500000000, -0.0014318300000000 ] - [ 0.0003308700000000, 0.0007194600000000, -0.0018621400000000 ] - [ -0.0012442700000000, 0.0006864900000000, 0.0008911800000000 ] - [ 0.0058982800000000, -0.0000405600000000, -0.0026868700000000 ] - [ -0.0005276600000000, 0.0005448900000000, 0.0025361900000000 ] - [ -0.0002327800000000, -0.0004259500000000, -0.0007329800000000 ] - [ -0.0000264100000000, 0.0003564400000000, -0.0021689000000000 ] - [ 0.0001435100000000, 0.0045065700000000, 0.0058465800000000 ] - [ -0.0001897800000000, 0.0007486600000000, 0.0012747300000000 ] - [ -0.0035916900000000, -0.0033501500000000, 0.0029582400000000 ] - [ -0.0001982200000000, -0.0006441900000000, -0.0012136800000000 ] - [ -0.0000689700000000, 0.0001527300000000, 0.0010882100000000 ] - [ 0.0014324800000000, -0.0007953900000000, -0.0014211200000000 ] - [ 0.0014006700000000, 0.0021302600000000, -0.0077278600000000 ] - [ 0.0034980200000000, -0.0031351500000000, 0.0025573000000000 ] - [ -0.0012206300000000, -0.0010367600000000, -0.0007336800000000 ] - [ -0.0004487200000000, -0.0000168700000000, 0.0022838300000000 ] - [ 0.0025629600000000, 0.0114268800000000, -0.0178568200000000 ] - [ 0.0037561400000000, 0.0005816400000000, -0.0021247200000000 ] - [ -0.0009008200000000, 0.0002867000000000, 0.0015147400000000 ] - [ 0.0006204700000000, -0.0084824900000000, 0.0109837300000000 ] - [ -0.0051131100000000, 0.0018327400000000, -0.0015103900000000 ] - [ 0.0014580100000000, 0.0001790100000000, 0.0017336300000000 ] - [ -0.0010151100000000, 0.0011538700000000, -0.0016609200000000 ] - [ -0.0014681600000000, 0.0084966100000000, 0.0071345200000000 ] - [ 0.0142943600000000, -0.0405203200000000, -0.1413617600000000 ] - [ 0.0016756400000000, 0.0001948600000000, 0.0020512500000000 ] - [ 0.0001949100000000, -0.0003476800000000, -0.0017968100000000 ] - [ -0.0002201000000000, 0.0020734200000000, 0.0039880000000000 ] - [ -0.0012352900000000, 0.0006726800000000, -0.0037272800000000 ] - [ -0.0003976500000000, -0.0006978400000000, 0.0005990700000000 ] - [ -0.0005908700000000, -0.0008252800000000, -0.0007582000000000 ] - [ 0.0010849900000000, -0.0007888400000000, 0.0019999900000000 ]- atom: 9 displacement: [ 0.0099999882271062, 0.0000000000000000, 0.0000153446321733 ] forces: - [ 0.0006045400000000, 0.0001463200000000, 0.0000737000000000 ] - [ 0.0047410200000000, -0.0122935600000000, -0.0004529500000000 ] - [ -0.0001201900000000, -0.0002116000000000, -0.0003041200000000 ] - [ 0.0016073100000000, -0.0004751000000000, 0.0005339100000000 ] - [ -0.0020032400000000, -0.0003043100000000, -0.0000541300000000 ] - [ 0.0032841400000000, -0.0008263800000000, 0.0001061700000000 ] - [ 0.0000397700000000, 0.0001749900000000, -0.0000868500000000 ] - [ -0.0071282900000000, -0.0023425500000000, -0.0050102400000000 ] - [ -0.0373261900000000, 0.0165830300000000, 0.0086837300000000 ] - [ 0.0011092800000000, 0.0007478700000000, -0.0008125200000000 ] - [ 0.0014239900000000, 0.0001047800000000, 0.0012779800000000 ] - [ -0.0006621000000000, -0.0005729500000000, -0.0004403800000000 ] - [ 0.0024734600000000, -0.0001327700000000, -0.0001043600000000 ] - [ -0.0004499700000000, -0.0002127600000000, 0.0005734500000000 ] - [ 0.0003218000000000, 0.0021473900000000, -0.0022525800000000 ] - [ 0.0007611100000000, 0.0002098700000000, 0.0001095700000000 ] - [ 0.0020021800000000, 0.0038248500000000, 0.0016667200000000 ] - [ 0.0015135800000000, -0.0000853400000000, 0.0000510200000000 ] - [ 0.0010209000000000, -0.0004503600000000, -0.0011081400000000 ] - [ 0.0005593000000000, 0.0000261100000000, 0.0004412200000000 ] - [ 0.0012511600000000, 0.0002020300000000, 0.0001141100000000 ] - [ 0.0001808200000000, -0.0001097600000000, 0.0001630300000000 ] - [ 0.0007363500000000, 0.0002825500000000, -0.0002676000000000 ] - [ 0.0013450700000000, -0.0005816100000000, 0.0008028900000000 ] - [ 0.0001059700000000, 0.0002531200000000, -0.0006424600000000 ] - [ 0.0005959600000000, 0.0003268600000000, -0.0000134300000000 ] - [ 0.0025767600000000, -0.0000674700000000, -0.0002737600000000 ] - [ 0.0001358800000000, -0.0005554500000000, 0.0009981200000000 ] - [ -0.0000325500000000, 0.0002821300000000, 0.0000283500000000 ] - [ 0.0008604700000000, 0.0002279600000000, -0.0001029400000000 ] - [ -0.0006606700000000, 0.0000607000000000, 0.0001870400000000 ] - [ 0.0010113300000000, -0.0006039600000000, -0.0000724300000000 ] - [ 0.0004267100000000, 0.0001774200000000, 0.0001887900000000 ] - [ -0.0018352400000000, -0.0002499200000000, -0.0002794300000000 ] - [ 0.0002990200000000, -0.0000996800000000, 0.0001914000000000 ] - [ -0.0001821300000000, -0.0009788000000000, -0.0003960700000000 ] - [ -0.0001181300000000, 0.0002101700000000, -0.0002562100000000 ] - [ 0.0004517500000000, 0.0000684300000000, 0.0001533400000000 ] - [ -0.0001470200000000, 0.0005793900000000, -0.0000193200000000 ] - [ 0.0004760100000000, 0.0001920200000000, 0.0005309500000000 ] - [ 0.0005372200000000, -0.0003675100000000, -0.0003895800000000 ] - [ -0.0003813200000000, -0.0007006100000000, 0.0001532400000000 ] - [ -0.0043915400000000, 0.0007516200000000, -0.0002765600000000 ] - [ 0.0004510200000000, -0.0004400200000000, -0.0003843900000000 ] - [ 0.0012571600000000, 0.0008506500000000, 0.0007090900000000 ] - [ -0.0005550300000000, 0.0000530900000000, -0.0002646200000000 ] - [ 0.0008723000000000, 0.0003830900000000, -0.0005694700000000 ] - [ -0.0016932500000000, 0.0000047500000000, -0.0005804500000000 ] - [ 0.0023318800000000, -0.0047868900000000, 0.0037320700000000 ] - [ -0.0003293600000000, 0.0004209000000000, 0.0002094600000000 ] - [ 0.0014289900000000, 0.0108417500000000, 0.0048624100000000 ] - [ -0.0004440100000000, 0.0000105100000000, -0.0005969400000000 ] - [ -0.0006766800000000, -0.0001333500000000, 0.0006006800000000 ] - [ -0.0008348300000000, -0.0028799800000000, -0.0017815400000000 ] - [ -0.0007854800000000, 0.0006562400000000, 0.0006374900000000 ] - [ 0.0002313100000000, 0.0004118700000000, -0.0001693000000000 ] - [ 0.0002674400000000, 0.0000463000000000, -0.0005374700000000 ] - [ -0.0005694800000000, -0.0004716500000000, -0.0002168400000000 ] - [ 0.0003022200000000, 0.0001708500000000, 0.0008232600000000 ] - [ -0.0005993800000000, 0.0011916100000000, -0.0009270200000000 ] - [ -0.0054721600000000, -0.0031265600000000, -0.0007559700000000 ] - [ 0.0014541700000000, -0.0005745800000000, 0.0010660100000000 ] - [ 0.0121645600000000, 0.0009794600000000, -0.0018064300000000 ] - [ -0.0001532700000000, 0.0006436400000000, -0.0002203700000000 ] - [ -0.0007610400000000, 0.0002170600000000, -0.0007094000000000 ] - [ -0.0053814200000000, 0.0008575300000000, 0.0008936000000000 ] - [ -0.0003264800000000, 0.0000900000000000, -0.0005063800000000 ] - [ -0.0026339200000000, -0.0003393100000000, 0.0012915400000000 ] - [ -0.0017517000000000, -0.0002312500000000, 0.0002836000000000 ] - [ 0.0011708900000000, 0.0019410000000000, -0.0034111700000000 ] - [ 0.0003483100000000, -0.0000142700000000, 0.0008672200000000 ] - [ -0.0011487700000000, 0.0005241800000000, -0.0002756700000000 ] - [ 0.0003965300000000, -0.0022356800000000, 0.0007948500000000 ] - [ -0.0009565300000000, -0.0005308800000000, 0.0000829100000000 ] - [ -0.0016562800000000, 0.0003973600000000, 0.0003531100000000 ] - [ 0.0001778800000000, 0.0003648300000000, -0.0004771000000000 ] - [ 0.0005272800000000, -0.0000653400000000, 0.0010133300000000 ] - [ 0.0012106600000000, 0.0020444000000000, 0.0004281600000000 ] - [ 0.0003819100000000, 0.0003188600000000, 0.0000020800000000 ] - [ 0.0009045800000000, -0.0020974700000000, -0.0020831300000000 ] - [ 0.0107477000000000, 0.0039134400000000, 0.0037485300000000 ] - [ -0.0023817200000000, 0.0015718700000000, 0.0018136600000000 ] - [ -0.0002334700000000, -0.0004143200000000, -0.0013402900000000 ] - [ 0.0004545100000000, 0.0012630000000000, 0.0009889000000000 ] - [ -0.0038156700000000, -0.0007179900000000, -0.0018615200000000 ] - [ -0.0006267800000000, 0.0004558000000000, 0.0004775600000000 ] - [ -0.0000926800000000, -0.0002627500000000, 0.0006544400000000 ] - [ 0.0235617500000000, -0.0171136000000000, -0.0093874700000000 ] - [ -0.0001735100000000, -0.0005542600000000, 0.0000506100000000 ] - [ -0.0040307600000000, 0.0002109400000000, -0.0024664900000000 ] - [ 0.0004718300000000, -0.0006392600000000, 0.0016130300000000 ] - [ 0.0012890600000000, 0.0000409000000000, -0.0012577800000000 ] - [ 0.0009233100000000, 0.0005177000000000, -0.0002271600000000 ] - [ -0.0020709500000000, 0.0005433800000000, -0.0002768800000000 ] - [ -0.0010700400000000, -0.0003923400000000, -0.0003603100000000 ] - [ 0.0008831400000000, 0.0007276300000000, 0.0020412500000000 ]- atom: 9 displacement: [ -0.0099999882271062, 0.0000000000000000, -0.0000153446321733 ] forces: - [ -0.0009254700000000, -0.0001212800000000, -0.0000176700000000 ] - [ -0.0044418100000000, 0.0124556500000000, 0.0004002200000000 ] - [ 0.0004577200000000, 0.0001954200000000, 0.0002528600000000 ] - [ -0.0019335600000000, 0.0004513400000000, -0.0004745500000000 ] - [ 0.0021134600000000, 0.0000830600000000, 0.0004235500000000 ] - [ -0.0033589700000000, 0.0006033700000000, -0.0004536800000000 ] - [ -0.0001519200000000, 0.0000346400000000, -0.0002691800000000 ] - [ 0.0072909000000000, 0.0025081500000000, 0.0052791400000000 ] - [ 0.0357478100000000, -0.0149507600000000, -0.0082778000000000 ] - [ 0.0000893200000000, 0.0005136400000000, 0.0007924700000000 ] - [ -0.0002220900000000, -0.0013712700000000, -0.0012876600000000 ] - [ -0.0005397100000000, -0.0007019800000000, 0.0004524500000000 ] - [ -0.0023573000000000, -0.0002245400000000, 0.0000967800000000 ] - [ 0.0003349600000000, -0.0001488300000000, -0.0005681700000000 ] - [ -0.0004382900000000, -0.0018091300000000, 0.0022847000000000 ] - [ -0.0006433200000000, 0.0001524000000000, -0.0001187000000000 ] - [ -0.0020116400000000, -0.0045367700000000, -0.0014004700000000 ] - [ -0.0015004800000000, -0.0005916100000000, -0.0003398500000000 ] - [ -0.0014382300000000, 0.0008278700000000, 0.0004952400000000 ] - [ -0.0001584400000000, 0.0003600300000000, 0.0001755900000000 ] - [ -0.0008380400000000, -0.0005835700000000, 0.0005030500000000 ] - [ -0.0005904900000000, -0.0002682100000000, -0.0007820200000000 ] - [ -0.0007336800000000, -0.0000809600000000, 0.0002723600000000 ] - [ -0.0013452600000000, 0.0003808500000000, -0.0008062600000000 ] - [ -0.0009771000000000, 0.0005766000000000, 0.0008571200000000 ] - [ 0.0002775700000000, 0.0005052700000000, -0.0002011400000000 ] - [ -0.0017209900000000, -0.0007674800000000, 0.0000616900000000 ] - [ -0.0010091100000000, -0.0002780500000000, -0.0007888400000000 ] - [ 0.0000280500000000, 0.0003933300000000, 0.0002581300000000 ] - [ -0.0008428100000000, 0.0004446100000000, -0.0001803000000000 ] - [ 0.0003476900000000, -0.0000189300000000, -0.0001050800000000 ] - [ -0.0006958700000000, 0.0006240400000000, 0.0000132300000000 ] - [ -0.0001005600000000, -0.0001950000000000, -0.0002435100000000 ] - [ 0.0015202800000000, 0.0002183600000000, 0.0003440200000000 ] - [ -0.0001893400000000, -0.0001140200000000, 0.0001511400000000 ] - [ 0.0000727800000000, 0.0007753600000000, 0.0000445300000000 ] - [ 0.0000105800000000, -0.0000008900000000, -0.0001005300000000 ] - [ -0.0003421200000000, 0.0001432500000000, 0.0001971200000000 ] - [ -0.0010526200000000, 0.0006853800000000, 0.0000350200000000 ] - [ 0.0007246500000000, 0.0010789900000000, -0.0005503100000000 ] - [ 0.0006632600000000, -0.0008933000000000, 0.0003774900000000 ] - [ -0.0008192300000000, -0.0005733300000000, -0.0001343000000000 ] - [ 0.0045107000000000, -0.0010637400000000, 0.0002545100000000 ] - [ -0.0005747200000000, 0.0000754000000000, 0.0003910200000000 ] - [ -0.0013809600000000, -0.0004861700000000, -0.0006992500000000 ] - [ 0.0006725400000000, 0.0003044400000000, 0.0002491100000000 ] - [ -0.0008878600000000, -0.0010524900000000, 0.0008539200000000 ] - [ 0.0017087200000000, -0.0006748700000000, 0.0002923200000000 ] - [ -0.0027295800000000, 0.0051098500000000, -0.0043073200000000 ] - [ 0.0007209100000000, -0.0000350100000000, 0.0004075700000000 ] - [ -0.0010496800000000, -0.0111504600000000, -0.0042228900000000 ] - [ 0.0000239500000000, -0.0003838100000000, -0.0000230000000000 ] - [ 0.0006689400000000, 0.0003349700000000, -0.0005994100000000 ] - [ 0.0008133100000000, 0.0026652500000000, 0.0017711800000000 ] - [ -0.0000907900000000, 0.0001702900000000, -0.0004278000000000 ] - [ 0.0006360400000000, 0.0004225700000000, -0.0000455600000000 ] - [ 0.0006021400000000, -0.0008731500000000, 0.0003272400000000 ] - [ -0.0003047700000000, -0.0003516900000000, 0.0004229600000000 ] - [ -0.0003200400000000, 0.0005020300000000, -0.0005349400000000 ] - [ 0.0006035000000000, -0.0004900200000000, 0.0006127500000000 ] - [ 0.0055312700000000, 0.0022116400000000, 0.0001588900000000 ] - [ -0.0015239900000000, -0.0002928600000000, -0.0004734900000000 ] - [ -0.0121839400000000, -0.0000381500000000, 0.0022497300000000 ] - [ 0.0002334500000000, 0.0002370100000000, -0.0003633900000000 ] - [ 0.0007277700000000, -0.0007656200000000, 0.0008006300000000 ] - [ 0.0054242000000000, -0.0014235800000000, -0.0009843600000000 ] - [ 0.0003478700000000, 0.0004562200000000, 0.0004229300000000 ] - [ 0.0026086500000000, 0.0008944700000000, -0.0012183800000000 ] - [ 0.0013545200000000, -0.0003641700000000, -0.0000015700000000 ] - [ -0.0007777600000000, -0.0025435400000000, 0.0031425600000000 ] - [ 0.0000340700000000, 0.0006077700000000, -0.0011547900000000 ] - [ 0.0007519400000000, 0.0000712000000000, 0.0005537500000000 ] - [ -0.0003408100000000, 0.0013657700000000, -0.0013767200000000 ] - [ 0.0008827700000000, -0.0003448200000000, 0.0005039000000000 ] - [ 0.0015838700000000, 0.0004763100000000, 0.0002283900000000 ] - [ -0.0001076500000000, 0.0005115800000000, -0.0001078200000000 ] - [ -0.0005480300000000, -0.0004844800000000, -0.0009263900000000 ] - [ -0.0011632200000000, -0.0025840400000000, -0.0005040000000000 ] - [ -0.0003489100000000, 0.0002221500000000, -0.0000849200000000 ] - [ -0.0009332300000000, 0.0026463900000000, 0.0021704100000000 ] - [ -0.0110732600000000, -0.0042972800000000, -0.0032929800000000 ] - [ 0.0027787300000000, -0.0021433600000000, -0.0020759900000000 ] - [ 0.0006320100000000, 0.0010007400000000, 0.0010565000000000 ] - [ -0.0008504200000000, -0.0006411300000000, -0.0006898600000000 ] - [ 0.0038204600000000, 0.0007740600000000, 0.0018774100000000 ] - [ 0.0006193800000000, -0.0004975900000000, -0.0004805200000000 ] - [ 0.0010515000000000, 0.0011155800000000, -0.0001417500000000 ] - [ -0.0242166800000000, 0.0172104200000000, 0.0084866100000000 ] - [ -0.0007797000000000, -0.0003098200000000, -0.0005589100000000 ] - [ 0.0049695000000000, -0.0010528200000000, 0.0029459000000000 ] - [ -0.0004689400000000, 0.0006683400000000, -0.0016138400000000 ] - [ -0.0012693700000000, -0.0000790500000000, 0.0012501600000000 ] - [ 0.0000181700000000, 0.0003280900000000, 0.0007316500000000 ] - [ 0.0011118500000000, 0.0003157000000000, -0.0002310600000000 ] - [ 0.0001132300000000, -0.0004658200000000, -0.0001447800000000 ] - [ 0.0000677700000000, -0.0015904100000000, -0.0015442100000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004543300000000, -0.0005008200000000, -0.0004395100000000 ] - [ -0.0183842600000000, 0.0186475700000000, -0.0004934700000000 ] - [ 0.0005132200000000, -0.0010902600000000, 0.0004442300000000 ] - [ -0.0002991000000000, -0.0007618600000000, -0.0001016700000000 ] - [ -0.0005235800000000, -0.0077194800000000, 0.0041144700000000 ] - [ 0.0001889300000000, -0.0037207200000000, -0.0008397900000000 ] - [ -0.0000641500000000, -0.0011220800000000, 0.0005373200000000 ] - [ -0.0025289500000000, -0.0018133900000000, 0.0232186200000000 ] - [ 0.0160948000000000, -0.2665333200000000, -0.1058624400000000 ] - [ 0.0004764900000000, -0.0010630600000000, 0.0005984100000000 ] - [ 0.0013351900000000, -0.0031117900000000, 0.0004193000000000 ] - [ -0.0006704900000000, -0.0029147700000000, 0.0032183300000000 ] - [ 0.0000696600000000, 0.0008895300000000, -0.0002918600000000 ] - [ -0.0003747900000000, -0.0002362700000000, -0.0014126000000000 ] - [ 0.0047598600000000, 0.0002645400000000, -0.0022321300000000 ] - [ -0.0000115500000000, -0.0000156900000000, 0.0001915400000000 ] - [ 0.0091001400000000, 0.0012400900000000, 0.0007550200000000 ] - [ 0.0003491600000000, -0.0005961800000000, 0.0000890800000000 ] - [ -0.0018884900000000, 0.0021291300000000, 0.0011611500000000 ] - [ -0.0000045600000000, 0.0005958800000000, 0.0003625900000000 ] - [ 0.0021979000000000, 0.0000610000000000, -0.0003562400000000 ] - [ 0.0008615300000000, 0.0000540100000000, 0.0006364100000000 ] - [ 0.0007978500000000, -0.0001683300000000, -0.0002685100000000 ] - [ -0.0021880400000000, 0.0002756600000000, -0.0023620600000000 ] - [ -0.0012181700000000, -0.0015604800000000, 0.0006858700000000 ] - [ 0.0003853300000000, -0.0008273900000000, 0.0004101500000000 ] - [ 0.0004990600000000, -0.0043606700000000, -0.0012086200000000 ] - [ -0.0000045500000000, -0.0024837600000000, 0.0007126900000000 ] - [ -0.0010594500000000, 0.0006962000000000, 0.0010985200000000 ] - [ 0.0001403000000000, 0.0001421800000000, 0.0003700100000000 ] - [ 0.0017565400000000, 0.0080479600000000, 0.0095757100000000 ] - [ -0.0019592000000000, 0.0005500000000000, -0.0004372300000000 ] - [ 0.0004601200000000, 0.0005200900000000, 0.0003790100000000 ] - [ -0.0013050600000000, 0.0032078200000000, 0.0016448200000000 ] - [ 0.0001148300000000, 0.0011683100000000, -0.0003563200000000 ] - [ -0.0001035300000000, 0.0058236900000000, 0.0004594100000000 ] - [ 0.0007811200000000, 0.0021735200000000, 0.0002296700000000 ] - [ 0.0000193800000000, 0.0017171500000000, 0.0001834200000000 ] - [ -0.0006498400000000, 0.0025827400000000, 0.0002013600000000 ] - [ 0.0010407100000000, 0.0044744200000000, -0.0016191900000000 ] - [ 0.0008583500000000, 0.0026614500000000, -0.0000249800000000 ] - [ -0.0005377200000000, 0.0002982800000000, -0.0000724900000000 ] - [ 0.0013161500000000, 0.0246619900000000, -0.0068808200000000 ] - [ -0.0014096800000000, -0.0004226700000000, 0.0008541300000000 ] - [ 0.0025035600000000, 0.0011563300000000, 0.0016933200000000 ] - [ 0.0000653300000000, 0.0010340700000000, 0.0012751300000000 ] - [ 0.0012053100000000, 0.0010720600000000, -0.0013644400000000 ] - [ 0.0009652200000000, 0.0021672700000000, -0.0026755900000000 ] - [ -0.0063119000000000, 0.0003855400000000, -0.0033645600000000 ] - [ -0.0003250200000000, -0.0009210300000000, 0.0008862900000000 ] - [ 0.0136397000000000, 0.0192837900000000, 0.0085293300000000 ] - [ 0.0002125400000000, -0.0003917700000000, -0.0007268200000000 ] - [ 0.0010260800000000, 0.0008883500000000, 0.0019205100000000 ] - [ -0.0085702800000000, 0.0039545800000000, 0.0020315300000000 ] - [ -0.0007641600000000, 0.0051233800000000, -0.0000889000000000 ] - [ -0.0001931900000000, 0.0024561500000000, -0.0000771100000000 ] - [ 0.0005926900000000, 0.0053238900000000, -0.0004444900000000 ] - [ -0.0004052800000000, 0.0024306100000000, -0.0007350300000000 ] - [ -0.0007526400000000, 0.0005137300000000, -0.0003068000000000 ] - [ -0.0011816000000000, 0.0048601900000000, -0.0047130500000000 ] - [ -0.0090807500000000, 0.0026045600000000, 0.0004317900000000 ] - [ -0.0001815100000000, 0.0023456800000000, 0.0028815300000000 ] - [ 0.0003664700000000, 0.0223754200000000, -0.0009358300000000 ] - [ 0.0006052200000000, 0.0021114700000000, -0.0006627500000000 ] - [ 0.0004559400000000, 0.0014614500000000, 0.0012365500000000 ] - [ 0.0090490300000000, 0.0035316800000000, -0.0010637300000000 ] - [ -0.0005044400000000, 0.0020000200000000, -0.0005144400000000 ] - [ -0.0017941700000000, 0.0034465600000000, 0.0003176400000000 ] - [ -0.0000197700000000, -0.0019508400000000, 0.0010880700000000 ] - [ 0.0014047500000000, -0.0080443600000000, 0.0072496000000000 ] - [ -0.0014850100000000, -0.0008791500000000, 0.0006433400000000 ] - [ -0.0000699500000000, -0.0004513600000000, -0.0000113700000000 ] - [ -0.0070716100000000, -0.0063730900000000, 0.0021868300000000 ] - [ -0.0001114100000000, -0.0018383600000000, -0.0001642300000000 ] - [ -0.0002485600000000, -0.0017126000000000, -0.0000755100000000 ] - [ 0.0004175900000000, -0.0020321600000000, -0.0005708900000000 ] - [ 0.0030423000000000, -0.0032116700000000, -0.0029163700000000 ] - [ 0.0068773400000000, -0.0070995500000000, 0.0020362500000000 ] - [ -0.0002633600000000, -0.0021010800000000, -0.0008633900000000 ] - [ -0.0010077200000000, -0.0099453000000000, -0.0040909400000000 ] - [ 0.0037798100000000, 0.0393806100000000, 0.0214122700000000 ] - [ 0.0036819800000000, 0.0026366700000000, -0.0001209400000000 ] - [ -0.0008002500000000, 0.0011548100000000, -0.0019535200000000 ] - [ 0.0002671900000000, -0.0033221800000000, -0.0066197700000000 ] - [ -0.0042744600000000, 0.0049527600000000, -0.0003228200000000 ] - [ 0.0007245800000000, 0.0009133600000000, -0.0011215700000000 ] - [ 0.0003652900000000, 0.0020981700000000, 0.0002335900000000 ] - [ -0.0147862300000000, 0.1426422700000000, 0.0563345900000000 ] - [ -0.0001596200000000, 0.0028015100000000, -0.0033760000000000 ] - [ 0.0029446900000000, 0.0046854200000000, 0.0003561500000000 ] - [ -0.0018030200000000, -0.0053900700000000, 0.0027328200000000 ] - [ 0.0024573800000000, -0.0023339300000000, 0.0003225000000000 ] - [ -0.0040902100000000, -0.0035458900000000, -0.0015216200000000 ] - [ -0.0003282100000000, -0.0022838500000000, 0.0002706300000000 ] - [ -0.0005898700000000, -0.0017104600000000, -0.0002032700000000 ] - [ 0.0020470500000000, -0.0081138800000000, -0.0017558200000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001278400000000, 0.0005199900000000, 0.0004925600000000 ] - [ 0.0184015800000000, -0.0183956200000000, 0.0004471000000000 ] - [ -0.0001761200000000, 0.0010772200000000, -0.0004994900000000 ] - [ -0.0000433400000000, 0.0007503500000000, 0.0001501600000000 ] - [ 0.0006399900000000, 0.0075439100000000, -0.0037176700000000 ] - [ -0.0003258400000000, 0.0035011700000000, 0.0004933500000000 ] - [ -0.0000486600000000, 0.0013294800000000, -0.0008948200000000 ] - [ 0.0026096600000000, 0.0018652000000000, -0.0227362300000000 ] - [ -0.0157751900000000, 0.2612359500000000, 0.1021262900000000 ] - [ 0.0007163200000000, 0.0023269400000000, -0.0006090400000000 ] - [ -0.0001426500000000, 0.0018157800000000, -0.0004413500000000 ] - [ -0.0005275200000000, 0.0016373600000000, -0.0032065800000000 ] - [ 0.0000499100000000, -0.0012480500000000, 0.0002829700000000 ] - [ 0.0002553000000000, -0.0001307100000000, 0.0014149200000000 ] - [ -0.0048478700000000, 0.0001401800000000, 0.0022319300000000 ] - [ 0.0001307200000000, 0.0003770900000000, -0.0002047200000000 ] - [ -0.0091658600000000, -0.0018892700000000, -0.0004623500000000 ] - [ -0.0003346700000000, -0.0000742600000000, -0.0003726400000000 ] - [ 0.0014768700000000, -0.0017452700000000, -0.0017669900000000 ] - [ 0.0004022100000000, -0.0002102500000000, 0.0002516400000000 ] - [ -0.0017973600000000, -0.0004357300000000, 0.0009776200000000 ] - [ -0.0012716200000000, -0.0004329500000000, -0.0012566200000000 ] - [ -0.0007923000000000, 0.0003703200000000, 0.0002630000000000 ] - [ 0.0021781500000000, -0.0004800600000000, 0.0023517100000000 ] - [ 0.0003509800000000, 0.0023774200000000, -0.0004788900000000 ] - [ 0.0004876800000000, 0.0016550500000000, -0.0006228900000000 ] - [ 0.0003849000000000, 0.0035287900000000, 0.0010036600000000 ] - [ -0.0008656500000000, 0.0016517900000000, -0.0004954600000000 ] - [ 0.0010554800000000, -0.0000236200000000, -0.0008150700000000 ] - [ -0.0001234000000000, 0.0005273000000000, -0.0006518300000000 ] - [ -0.0020979100000000, -0.0081152600000000, -0.0096006200000000 ] - [ 0.0022857200000000, -0.0005189300000000, 0.0003841900000000 ] - [ -0.0001281900000000, -0.0005384900000000, -0.0004335300000000 ] - [ 0.0009708900000000, -0.0032310800000000, -0.0015763200000000 ] - [ -0.0000019100000000, -0.0013832300000000, 0.0006966700000000 ] - [ -0.0000140400000000, -0.0060354100000000, -0.0008004900000000 ] - [ -0.0008965500000000, -0.0019590800000000, -0.0005972400000000 ] - [ 0.0000924800000000, -0.0014993500000000, 0.0001702000000000 ] - [ -0.0005468400000000, -0.0013139900000000, -0.0001851700000000 ] - [ 0.0001511000000000, -0.0032024300000000, 0.0015940000000000 ] - [ 0.0003369300000000, -0.0039211600000000, 0.0000188800000000 ] - [ -0.0006605300000000, -0.0015714700000000, 0.0000888800000000 ] - [ -0.0012324400000000, -0.0254993300000000, 0.0070090100000000 ] - [ 0.0012959700000000, 0.0000662300000000, -0.0008489200000000 ] - [ -0.0026093200000000, -0.0007945000000000, -0.0016723000000000 ] - [ 0.0000543300000000, -0.0006802900000000, -0.0012950400000000 ] - [ -0.0012104100000000, -0.0017470100000000, 0.0016432800000000 ] - [ -0.0009460500000000, -0.0028289500000000, 0.0023769600000000 ] - [ 0.0058850800000000, 0.0000527100000000, 0.0027485200000000 ] - [ 0.0007205000000000, 0.0013140800000000, -0.0002775100000000 ] - [ -0.0129810300000000, -0.0193837500000000, -0.0077907400000000 ] - [ -0.0006220200000000, 0.0000092100000000, 0.0001085100000000 ] - [ -0.0010318100000000, -0.0006970000000000, -0.0019131600000000 ] - [ 0.0086299400000000, -0.0041638900000000, -0.0020393700000000 ] - [ -0.0001044700000000, -0.0042749600000000, 0.0003103200000000 ] - [ 0.0010639200000000, -0.0016182500000000, -0.0001454100000000 ] - [ 0.0002838200000000, -0.0061466600000000, 0.0002329400000000 ] - [ -0.0004627500000000, -0.0032546600000000, 0.0009329000000000 ] - [ 0.0007323600000000, 0.0001634600000000, 0.0005848700000000 ] - [ 0.0011896800000000, -0.0041519100000000, 0.0043756200000000 ] - [ 0.0091132100000000, -0.0034396800000000, -0.0010157800000000 ] - [ 0.0001192800000000, -0.0031997800000000, -0.0022748400000000 ] - [ -0.0004644800000000, -0.0218221400000000, 0.0022286500000000 ] - [ -0.0005375900000000, -0.0012356200000000, 0.0000811500000000 ] - [ -0.0004980200000000, -0.0019982300000000, -0.0011552000000000 ] - [ -0.0089926800000000, -0.0040427200000000, 0.0009791100000000 ] - [ 0.0005408000000000, -0.0014578000000000, 0.0004439700000000 ] - [ 0.0017346500000000, -0.0028997300000000, -0.0002392900000000 ] - [ -0.0003913800000000, 0.0013567500000000, -0.0008077000000000 ] - [ -0.0009886400000000, 0.0074416300000000, -0.0075027300000000 ] - [ 0.0018807800000000, 0.0014494200000000, -0.0009058300000000 ] - [ -0.0003406200000000, 0.0010350900000000, 0.0002921700000000 ] - [ 0.0071783000000000, 0.0054638300000000, -0.0027958500000000 ] - [ 0.0000504100000000, 0.0009583200000000, 0.0007528500000000 ] - [ 0.0001853700000000, 0.0025850700000000, 0.0006573200000000 ] - [ -0.0003573400000000, 0.0029162400000000, -0.0000090800000000 ] - [ -0.0031016700000000, 0.0026612100000000, 0.0030140700000000 ] - [ -0.0068797000000000, 0.0065239100000000, -0.0021385800000000 ] - [ 0.0003051900000000, 0.0026485600000000, 0.0007946300000000 ] - [ 0.0009683000000000, 0.0104673100000000, 0.0041382800000000 ] - [ -0.0043917700000000, -0.0414664600000000, -0.0230376300000000 ] - [ -0.0032749500000000, -0.0032542200000000, -0.0001644700000000 ] - [ 0.0012127600000000, -0.0005525200000000, 0.0016775000000000 ] - [ -0.0006772500000000, 0.0039579600000000, 0.0069216800000000 ] - [ 0.0042659200000000, -0.0049389800000000, 0.0003093700000000 ] - [ -0.0007300700000000, -0.0009431800000000, 0.0011231100000000 ] - [ 0.0005934400000000, -0.0012289400000000, 0.0002807300000000 ] - [ 0.0126986300000000, -0.1333401000000000, -0.0522151700000000 ] - [ -0.0007947900000000, -0.0036761900000000, 0.0028679600000000 ] - [ -0.0019496700000000, -0.0055411100000000, 0.0001693800000000 ] - [ 0.0017929300000000, 0.0054163600000000, -0.0027179500000000 ] - [ -0.0024370900000000, 0.0022699700000000, -0.0003164900000000 ] - [ 0.0050701100000000, 0.0044112000000000, 0.0020439300000000 ] - [ -0.0006262300000000, 0.0031355700000000, -0.0007808100000000 ] - [ -0.0003636600000000, 0.0008545600000000, -0.0002999200000000 ] - [ -0.0010884200000000, 0.0072443000000000, 0.0022472400000000 ]- atom: 9 displacement: [ -0.0005876189178017, 0.0000000000000000, 0.0099827202709202 ] forces: - [ -0.0002388700000000, -0.0003948600000000, 0.0000050700000000 ] - [ -0.0012028000000000, 0.0019927800000000, -0.0061415700000000 ] - [ 0.0011225100000000, 0.0010153400000000, 0.0037081000000000 ] - [ 0.0002325500000000, -0.0004035300000000, -0.0000890600000000 ] - [ -0.0005463700000000, -0.0020622300000000, 0.0187545800000000 ] - [ -0.0002781800000000, -0.0005784800000000, -0.0027566900000000 ] - [ -0.0001000500000000, -0.0004487700000000, 0.0010344500000000 ] - [ -0.0054688000000000, 0.0209440200000000, 0.0355390800000000 ] - [ 0.0104832100000000, -0.1037226300000000, -0.1522850200000000 ] - [ -0.0002297200000000, 0.0000347600000000, 0.0010058700000000 ] - [ 0.0018319300000000, -0.0002480300000000, -0.0001912500000000 ] - [ -0.0010524800000000, -0.0038331800000000, 0.0073121000000000 ] - [ 0.0003223500000000, -0.0000009900000000, -0.0005587800000000 ] - [ 0.0007888900000000, -0.0012875000000000, 0.0005076900000000 ] - [ -0.0075897700000000, -0.0045126900000000, 0.0000631900000000 ] - [ 0.0000780800000000, 0.0002665800000000, 0.0009539300000000 ] - [ 0.0077314700000000, 0.0028592200000000, -0.0020113100000000 ] - [ 0.0003360000000000, -0.0001389100000000, -0.0002331700000000 ] - [ -0.0005652800000000, 0.0002381200000000, -0.0006758900000000 ] - [ 0.0002541800000000, 0.0001261200000000, 0.0008291500000000 ] - [ 0.0002469500000000, -0.0004575100000000, -0.0009652600000000 ] - [ 0.0007909000000000, -0.0001091200000000, 0.0007018800000000 ] - [ -0.0006679500000000, 0.0002929000000000, 0.0014402200000000 ] - [ -0.0000298100000000, -0.0000651600000000, -0.0008979300000000 ] - [ -0.0014588800000000, 0.0005911200000000, 0.0001025400000000 ] - [ 0.0003667200000000, -0.0002082700000000, 0.0010016900000000 ] - [ 0.0008687300000000, -0.0015635800000000, -0.0021729300000000 ] - [ 0.0006107900000000, -0.0011770200000000, 0.0009245100000000 ] - [ -0.0015284500000000, 0.0011230500000000, 0.0014454300000000 ] - [ -0.0000040800000000, 0.0005189900000000, 0.0001331800000000 ] - [ 0.0013696200000000, 0.0068505400000000, 0.0084163100000000 ] - [ -0.0003040700000000, 0.0002363400000000, -0.0015596000000000 ] - [ 0.0004438100000000, 0.0001716000000000, 0.0006284300000000 ] - [ -0.0007777600000000, 0.0022306400000000, -0.0004659500000000 ] - [ 0.0000872900000000, 0.0003501900000000, 0.0002096800000000 ] - [ -0.0000904400000000, 0.0003744100000000, -0.0011187400000000 ] - [ 0.0002033600000000, 0.0003837100000000, 0.0020235300000000 ] - [ 0.0001078400000000, 0.0003297100000000, -0.0000326800000000 ] - [ -0.0006526600000000, 0.0008198200000000, -0.0003695500000000 ] - [ 0.0011445200000000, 0.0022448400000000, 0.0000408100000000 ] - [ 0.0002208700000000, -0.0006807500000000, -0.0006892300000000 ] - [ -0.0004717400000000, -0.0005457500000000, 0.0005879900000000 ] - [ 0.0005448600000000, 0.0001987000000000, -0.0116244000000000 ] - [ -0.0012953800000000, -0.0003279100000000, 0.0009542800000000 ] - [ 0.0008213700000000, 0.0002997800000000, -0.0000009300000000 ] - [ -0.0000926700000000, 0.0005655700000000, 0.0034477000000000 ] - [ 0.0000216100000000, -0.0000833600000000, -0.0008517800000000 ] - [ -0.0001612400000000, -0.0021523100000000, -0.0008295700000000 ] - [ 0.0070468000000000, -0.0042169700000000, -0.0007767600000000 ] - [ -0.0016416300000000, 0.0008636700000000, 0.0031995600000000 ] - [ 0.0042085000000000, 0.0043986400000000, -0.0028823400000000 ] - [ -0.0008520200000000, -0.0009549400000000, 0.0005202800000000 ] - [ 0.0016032900000000, 0.0013504900000000, 0.0012340800000000 ] - [ -0.0082883900000000, 0.0054993600000000, -0.0005249200000000 ] - [ 0.0000572300000000, 0.0000257100000000, -0.0007658900000000 ] - [ 0.0008032600000000, 0.0000104000000000, 0.0023616900000000 ] - [ 0.0004218300000000, 0.0004473700000000, -0.0014763200000000 ] - [ -0.0008867400000000, 0.0006372900000000, 0.0004810500000000 ] - [ 0.0008541800000000, 0.0005385100000000, 0.0016643000000000 ] - [ 0.0016893000000000, -0.0079452600000000, 0.0089903800000000 ] - [ -0.0018782000000000, 0.0003045400000000, 0.0018853800000000 ] - [ 0.0004211900000000, 0.0061165300000000, -0.0050762100000000 ] - [ -0.0020941800000000, 0.0074449600000000, 0.0287517900000000 ] - [ 0.0008538300000000, 0.0005643900000000, -0.0025223300000000 ] - [ -0.0008480600000000, 0.0007989600000000, -0.0005073700000000 ] - [ 0.0013073200000000, 0.0002656700000000, 0.0015683000000000 ] - [ -0.0008598500000000, 0.0006846400000000, -0.0021292300000000 ] - [ 0.0029611600000000, 0.0003536500000000, 0.0010847700000000 ] - [ -0.0002269200000000, -0.0004262800000000, 0.0009030000000000 ] - [ -0.0008099000000000, -0.0007816400000000, 0.0023578000000000 ] - [ 0.0031711900000000, 0.0017103300000000, -0.0040852500000000 ] - [ -0.0004739400000000, 0.0006778100000000, -0.0008615800000000 ] - [ -0.0007130000000000, -0.0007493400000000, 0.0051843400000000 ] - [ -0.0001510900000000, -0.0012276300000000, -0.0004694200000000 ] - [ -0.0001952600000000, -0.0000630400000000, 0.0006071800000000 ] - [ 0.0004839600000000, -0.0003513600000000, -0.0021554100000000 ] - [ 0.0029017600000000, -0.0028403400000000, -0.0036103100000000 ] - [ 0.0008649900000000, -0.0006775700000000, 0.0056732600000000 ] - [ -0.0001919800000000, 0.0001260000000000, -0.0020729100000000 ] - [ -0.0011134300000000, -0.0018054200000000, 0.0001047000000000 ] - [ 0.0023003900000000, 0.0152944900000000, 0.0257373600000000 ] - [ 0.0040221300000000, 0.0004912400000000, 0.0009812100000000 ] - [ -0.0009084300000000, 0.0001651300000000, -0.0016903300000000 ] - [ -0.0000058700000000, -0.0072616200000000, -0.0107480200000000 ] - [ -0.0043324300000000, 0.0021445000000000, 0.0005538000000000 ] - [ 0.0011941100000000, 0.0001449000000000, -0.0014876000000000 ] - [ 0.0012640900000000, 0.0013642000000000, -0.0008847800000000 ] - [ -0.0099551700000000, 0.0618658000000000, 0.0562604700000000 ] - [ 0.0009868200000000, -0.0010383700000000, -0.0110448000000000 ] - [ -0.0035972900000000, -0.0016097100000000, 0.0021677100000000 ] - [ 0.0011106300000000, -0.0002208100000000, 0.0021987200000000 ] - [ -0.0040679700000000, 0.0025552100000000, -0.0025834300000000 ] - [ -0.0035039600000000, -0.0025263800000000, -0.0025946300000000 ] - [ -0.0002994200000000, 0.0001090400000000, 0.0004657900000000 ] - [ -0.0007449000000000, -0.0007091300000000, -0.0007919200000000 ] - [ 0.0018891000000000, -0.0016039400000000, 0.0015547600000000 ]- atom: 9 displacement: [ 0.0005876189178017, 0.0000000000000000, -0.0099827202709202 ] forces: - [ -0.0000889100000000, 0.0004186700000000, 0.0000555800000000 ] - [ 0.0016883500000000, -0.0021578100000000, 0.0060734200000000 ] - [ -0.0008196400000000, -0.0010463900000000, -0.0037850200000000 ] - [ -0.0005744300000000, 0.0003958400000000, 0.0001348400000000 ] - [ 0.0006555500000000, 0.0018798600000000, -0.0186601400000000 ] - [ 0.0001467500000000, 0.0003892400000000, 0.0024197800000000 ] - [ -0.0000046600000000, 0.0006705600000000, -0.0013884100000000 ] - [ 0.0054542500000000, -0.0203563400000000, -0.0346070600000000 ] - [ -0.0112082000000000, 0.1056749300000000, 0.1510961000000000 ] - [ 0.0014358700000000, 0.0012412000000000, -0.0010197100000000 ] - [ -0.0006345000000000, -0.0010184500000000, 0.0001552500000000 ] - [ -0.0001426200000000, 0.0025961100000000, -0.0073226400000000 ] - [ -0.0002022500000000, -0.0003717300000000, 0.0005528200000000 ] - [ -0.0009173100000000, 0.0009338700000000, -0.0004809200000000 ] - [ 0.0074073400000000, 0.0048645400000000, -0.0000750700000000 ] - [ 0.0000409600000000, 0.0000917500000000, -0.0009642300000000 ] - [ -0.0078048000000000, -0.0035052400000000, 0.0023320800000000 ] - [ -0.0003176300000000, -0.0005255600000000, -0.0000483600000000 ] - [ 0.0001746400000000, 0.0001259600000000, 0.0000382400000000 ] - [ 0.0001462500000000, 0.0002535000000000, -0.0002106300000000 ] - [ 0.0001551400000000, 0.0000775200000000, 0.0015818100000000 ] - [ -0.0012075500000000, -0.0002739100000000, -0.0013182200000000 ] - [ 0.0006562900000000, -0.0000870000000000, -0.0014455900000000 ] - [ 0.0000482000000000, -0.0001418600000000, 0.0009240600000000 ] - [ 0.0005861500000000, 0.0002491900000000, 0.0000923400000000 ] - [ 0.0005026800000000, 0.0010472100000000, -0.0012166700000000 ] - [ 0.0000173000000000, 0.0007624000000000, 0.0019690300000000 ] - [ -0.0014890700000000, 0.0003565900000000, -0.0007056700000000 ] - [ 0.0014990000000000, -0.0004489600000000, -0.0011642200000000 ] - [ 0.0000204200000000, 0.0001526700000000, -0.0004270200000000 ] - [ -0.0017065300000000, -0.0068897100000000, -0.0084322000000000 ] - [ 0.0006328600000000, -0.0002145900000000, 0.0015074300000000 ] - [ -0.0001122000000000, -0.0001941200000000, -0.0006866200000000 ] - [ 0.0004555700000000, -0.0022532900000000, 0.0004877900000000 ] - [ 0.0000212300000000, -0.0005750700000000, 0.0001400100000000 ] - [ -0.0000154600000000, -0.0006284700000000, 0.0007711600000000 ] - [ -0.0003201800000000, -0.0001848400000000, -0.0023741500000000 ] - [ 0.0000007900000000, -0.0001268600000000, 0.0003762400000000 ] - [ -0.0005472200000000, 0.0004284300000000, 0.0003817600000000 ] - [ 0.0000519200000000, -0.0010045100000000, -0.0000404400000000 ] - [ 0.0009784300000000, -0.0006076600000000, 0.0006590400000000 ] - [ -0.0007299400000000, -0.0007240500000000, -0.0005719900000000 ] - [ -0.0004313700000000, -0.0005167500000000, 0.0116241100000000 ] - [ 0.0011924800000000, -0.0000308000000000, -0.0009466000000000 ] - [ -0.0009558000000000, 0.0000521100000000, -0.0000119700000000 ] - [ 0.0002095500000000, -0.0001944400000000, -0.0034448200000000 ] - [ -0.0000462800000000, -0.0005960400000000, 0.0011517000000000 ] - [ 0.0001722400000000, 0.0014786200000000, 0.0005747600000000 ] - [ -0.0074085300000000, 0.0046139500000000, 0.0001258600000000 ] - [ 0.0020721500000000, -0.0004897700000000, -0.0025904200000000 ] - [ -0.0038873000000000, -0.0049192800000000, 0.0034074500000000 ] - [ 0.0004547200000000, 0.0005777300000000, -0.0011311500000000 ] - [ -0.0015865100000000, -0.0011378100000000, -0.0012523200000000 ] - [ 0.0083805600000000, -0.0057312800000000, 0.0005426500000000 ] - [ -0.0009255600000000, 0.0007712500000000, 0.0009622500000000 ] - [ 0.0000784900000000, 0.0008049400000000, -0.0025733900000000 ] - [ 0.0004485600000000, -0.0013094100000000, 0.0012688800000000 ] - [ 0.0000146200000000, -0.0014858000000000, -0.0002583400000000 ] - [ -0.0008598300000000, 0.0001298300000000, -0.0013872000000000 ] - [ -0.0016566300000000, 0.0085391200000000, -0.0091754400000000 ] - [ 0.0020204100000000, -0.0011828500000000, -0.0024698900000000 ] - [ -0.0004824200000000, -0.0070534700000000, 0.0056320600000000 ] - [ 0.0019180400000000, -0.0077134100000000, -0.0264259900000000 ] - [ -0.0008081500000000, 0.0003035200000000, 0.0019401200000000 ] - [ 0.0008130900000000, -0.0013573500000000, 0.0005643500000000 ] - [ -0.0013568300000000, -0.0008307000000000, -0.0016241700000000 ] - [ 0.0009190700000000, -0.0001474900000000, 0.0020517900000000 ] - [ -0.0029849300000000, 0.0001748700000000, -0.0009934300000000 ] - [ -0.0001870000000000, -0.0001520500000000, -0.0006383200000000 ] - [ 0.0012168100000000, 0.0002528700000000, -0.0027208300000000 ] - [ -0.0027336600000000, -0.0010963900000000, 0.0038197800000000 ] - [ 0.0000640500000000, -0.0000818000000000, 0.0011503200000000 ] - [ 0.0007835900000000, -0.0001011100000000, -0.0057664000000000 ] - [ 0.0000884500000000, 0.0003603100000000, 0.0010495600000000 ] - [ 0.0001326500000000, 0.0009523900000000, -0.0000150700000000 ] - [ -0.0004118100000000, 0.0012370100000000, 0.0015656000000000 ] - [ -0.0029707100000000, 0.0023197300000000, 0.0036969700000000 ] - [ -0.0008293100000000, 0.0001493500000000, -0.0057747100000000 ] - [ 0.0002235100000000, 0.0004313600000000, 0.0019982600000000 ] - [ 0.0010732300000000, 0.0024239100000000, 0.0000200700000000 ] - [ -0.0028634100000000, -0.0173724900000000, -0.0263897700000000 ] - [ -0.0036379400000000, -0.0011121200000000, -0.0012810900000000 ] - [ 0.0013144100000000, 0.0004248900000000, 0.0014379600000000 ] - [ -0.0004097000000000, 0.0078046400000000, 0.0110256600000000 ] - [ 0.0043409800000000, -0.0021416400000000, -0.0005779300000000 ] - [ -0.0011827300000000, -0.0001830900000000, 0.0015040700000000 ] - [ -0.0003163500000000, -0.0005194100000000, 0.0013862700000000 ] - [ 0.0088351400000000, -0.0590874100000000, -0.0565695700000000 ] - [ -0.0019556400000000, 0.0001919700000000, 0.0105838200000000 ] - [ 0.0045637500000000, 0.0007195300000000, -0.0016363700000000 ] - [ -0.0010999100000000, 0.0002955100000000, -0.0022328200000000 ] - [ 0.0040279600000000, -0.0025659800000000, 0.0026013900000000 ] - [ 0.0044961300000000, 0.0034178300000000, 0.0030994100000000 ] - [ -0.0006563300000000, 0.0007628400000000, -0.0009748600000000 ] - [ -0.0002080300000000, -0.0001485300000000, 0.0002834100000000 ] - [ -0.0009348300000000, 0.0007949200000000, -0.0010095100000000 ]- atom: 13 displacement: [ 0.0099999882271062, 0.0000000000000000, 0.0000153446321733 ] forces: - [ -0.0039494200000000, -0.0001362600000000, 0.0002702500000000 ] - [ 0.0186368000000000, 0.0035765500000000, -0.0016056300000000 ] - [ 0.0009220600000000, 0.0001489000000000, 0.0002535200000000 ] - [ -0.0037035800000000, 0.0014782700000000, -0.0008173600000000 ] - [ 0.0007166700000000, -0.0000844600000000, 0.0001604300000000 ] - [ -0.0006559500000000, 0.0123588100000000, 0.0019371600000000 ] - [ -0.0004018500000000, 0.0008219600000000, -0.0017140200000000 ] - [ 0.0025476600000000, 0.0003588200000000, 0.0001851400000000 ] - [ 0.0018142900000000, 0.0006242000000000, 0.0004079800000000 ] - [ 0.0002107100000000, 0.0009523000000000, 0.0008238000000000 ] - [ 0.0010035200000000, 0.0041494300000000, -0.0074447700000000 ] - [ 0.0001034900000000, -0.0005595000000000, 0.0000680800000000 ] - [ -0.1969020900000000, 0.0047270400000000, 0.0044730900000000 ] - [ 0.0029039600000000, -0.0004453500000000, -0.0018011300000000 ] - [ 0.0017973700000000, -0.0000144600000000, 0.0003920900000000 ] - [ -0.0013307200000000, 0.0001112900000000, -0.0001341100000000 ] - [ 0.0018314300000000, -0.0015266700000000, -0.0004061500000000 ] - [ -0.0024905200000000, -0.0015518800000000, -0.0010744600000000 ] - [ 0.0126686600000000, 0.0135707100000000, 0.0110049300000000 ] - [ -0.0009216400000000, 0.0009685800000000, -0.0003888200000000 ] - [ -0.0012155500000000, -0.0017485800000000, 0.0002693500000000 ] - [ -0.0005929900000000, -0.0003344500000000, -0.0004414800000000 ] - [ -0.0008857100000000, -0.0007856800000000, 0.0006237500000000 ] - [ 0.0102347800000000, 0.0062705500000000, -0.0208480300000000 ] - [ -0.0003466600000000, -0.0043180100000000, 0.0089369800000000 ] - [ -0.0000974500000000, 0.0001294800000000, 0.0003431100000000 ] - [ -0.0004260800000000, -0.0136131800000000, -0.0035853500000000 ] - [ -0.0005360700000000, -0.0014520300000000, -0.0014328300000000 ] - [ 0.0015064200000000, 0.0006364700000000, 0.0018339300000000 ] - [ -0.0051995900000000, 0.0012788600000000, 0.0003184300000000 ] - [ 0.0011620700000000, 0.0001864100000000, 0.0000740700000000 ] - [ -0.0013865000000000, 0.0013621800000000, -0.0001711900000000 ] - [ -0.0010038600000000, -0.0006856600000000, -0.0010845500000000 ] - [ 0.0061764000000000, -0.0002353700000000, 0.0004836500000000 ] - [ -0.0006005000000000, -0.0002714100000000, 0.0003522100000000 ] - [ 0.0014019500000000, 0.0021390000000000, -0.0003857300000000 ] - [ 0.0002620300000000, 0.0004288700000000, -0.0001515900000000 ] - [ -0.0009425000000000, 0.0002892600000000, 0.0003013800000000 ] - [ -0.0050579300000000, 0.0017690000000000, 0.0002050800000000 ] - [ 0.0011091400000000, 0.0019915800000000, -0.0012264600000000 ] - [ 0.0019152400000000, 0.0019354800000000, 0.0009622100000000 ] - [ -0.0012152200000000, -0.0006501400000000, -0.0001679200000000 ] - [ 0.0023702100000000, -0.0001794200000000, 0.0001452300000000 ] - [ -0.0009022000000000, 0.0002660000000000, 0.0005597900000000 ] - [ 0.0100749900000000, -0.0119918200000000, -0.0175426800000000 ] - [ 0.0022166200000000, 0.0003061100000000, -0.0000795300000000 ] - [ 0.0138674300000000, -0.0117085500000000, 0.0158677700000000 ] - [ 0.0060134400000000, -0.0000172300000000, 0.0006282000000000 ] - [ 0.0019648500000000, 0.0017887900000000, -0.0006993300000000 ] - [ 0.0009125400000000, -0.0000903100000000, 0.0004224900000000 ] - [ 0.0195884600000000, -0.0036855000000000, -0.0011782200000000 ] - [ 0.0008453200000000, 0.0003192000000000, 0.0010325600000000 ] - [ 0.0030094800000000, 0.0004396600000000, -0.0019574700000000 ] - [ 0.0011454100000000, -0.0001415200000000, 0.0004163000000000 ] - [ 0.0001502700000000, -0.0014245900000000, -0.0006765400000000 ] - [ 0.0007520600000000, -0.0000754400000000, -0.0000055000000000 ] - [ 0.0021064800000000, -0.0031821600000000, -0.0003487400000000 ] - [ 0.0008666900000000, -0.0024841600000000, 0.0022655800000000 ] - [ -0.0004772500000000, 0.0004503200000000, -0.0001460300000000 ] - [ 0.0016035900000000, 0.0001291200000000, -0.0002114500000000 ] - [ 0.0434882100000000, 0.0129732000000000, 0.0007551400000000 ] - [ -0.0033474300000000, -0.0008411900000000, -0.0001906400000000 ] - [ -0.0034426000000000, 0.0003527700000000, 0.0002267000000000 ] - [ 0.0005921700000000, -0.0005861600000000, -0.0001696300000000 ] - [ 0.0018943700000000, 0.0013761400000000, 0.0054266200000000 ] - [ 0.0482433100000000, -0.0150731900000000, 0.0035391700000000 ] - [ 0.0005272300000000, 0.0016890100000000, 0.0002316800000000 ] - [ 0.0023851000000000, 0.0063520300000000, -0.0026057900000000 ] - [ 0.0229238500000000, -0.0012776300000000, -0.0007464900000000 ] - [ -0.0071738500000000, -0.0037190300000000, 0.0032516700000000 ] - [ -0.0008926200000000, -0.0005299700000000, -0.0013628700000000 ] - [ 0.0015113800000000, 0.0000725600000000, 0.0006815200000000 ] - [ -0.0012040100000000, -0.0016844200000000, -0.0002867300000000 ] - [ 0.0014450700000000, -0.0000798700000000, 0.0007654400000000 ] - [ 0.0255506600000000, 0.0015360500000000, 0.0007552100000000 ] - [ -0.0010490800000000, -0.0001351400000000, -0.0002430600000000 ] - [ -0.0008992100000000, 0.0011549000000000, -0.0004458900000000 ] - [ -0.0010174500000000, 0.0011835400000000, -0.0004372700000000 ] - [ -0.0010120300000000, 0.0005322100000000, -0.0002979700000000 ] - [ -0.0079867700000000, 0.0043444800000000, 0.0024857700000000 ] - [ -0.0027160400000000, -0.0003067400000000, 0.0000293900000000 ] - [ 0.0019361500000000, -0.0039696400000000, -0.0038029300000000 ] - [ 0.0025657600000000, 0.0005480100000000, 0.0074115300000000 ] - [ -0.0039646100000000, 0.0004020400000000, -0.0001713800000000 ] - [ 0.0003160200000000, 0.0051439600000000, 0.0054399200000000 ] - [ 0.0026344300000000, -0.0030498100000000, -0.0057476700000000 ] - [ 0.0021669900000000, 0.0003998700000000, -0.0008119700000000 ] - [ -0.0148906200000000, -0.0004100000000000, -0.0029727600000000 ] - [ -0.0018631800000000, -0.0004575200000000, -0.0002758700000000 ] - [ 0.0019472300000000, -0.0082242100000000, 0.0034549600000000 ] - [ -0.0088419300000000, 0.0046784100000000, -0.0030158000000000 ] - [ -0.0010400800000000, 0.0009728300000000, 0.0010626100000000 ] - [ -0.0003445800000000, -0.0006246000000000, 0.0005311600000000 ] - [ 0.0023085900000000, 0.0003504700000000, -0.0004756700000000 ] - [ 0.0021480400000000, -0.0005551000000000, 0.0001083000000000 ] - [ -0.0080691800000000, -0.0051076500000000, -0.0003879100000000 ]- atom: 13 displacement: [ -0.0099999882271062, 0.0000000000000000, -0.0000153446321733 ] forces: - [ 0.0036335600000000, 0.0001955100000000, -0.0001456300000000 ] - [ -0.0181852100000000, -0.0034853800000000, 0.0015097900000000 ] - [ -0.0006131900000000, -0.0001774100000000, -0.0003136700000000 ] - [ 0.0033903300000000, -0.0015325400000000, 0.0008854100000000 ] - [ -0.0006083800000000, -0.0001275700000000, 0.0001892500000000 ] - [ 0.0005994800000000, -0.0126992200000000, -0.0023202900000000 ] - [ 0.0003008500000000, -0.0006030500000000, 0.0013768900000000 ] - [ -0.0024419800000000, -0.0001615200000000, 0.0001892200000000 ] - [ -0.0030164000000000, 0.0006027400000000, -0.0004002300000000 ] - [ 0.0009983700000000, 0.0003197800000000, -0.0008427700000000 ] - [ 0.0002290200000000, -0.0054532100000000, 0.0075329700000000 ] - [ -0.0013028900000000, -0.0006976700000000, -0.0000540600000000 ] - [ 0.1972675700000000, -0.0024874700000000, -0.0048950000000000 ] - [ -0.0030350300000000, 0.0000809400000000, 0.0017985900000000 ] - [ -0.0019243900000000, 0.0003667900000000, -0.0003810200000000 ] - [ 0.0014470900000000, 0.0002380100000000, 0.0001237400000000 ] - [ -0.0018452800000000, 0.0008377100000000, 0.0006883900000000 ] - [ 0.0024917500000000, 0.0008499600000000, 0.0007726300000000 ] - [ -0.0130140200000000, -0.0130049300000000, -0.0114456600000000 ] - [ 0.0013025400000000, -0.0005828600000000, 0.0010007700000000 ] - [ 0.0015824300000000, 0.0013145800000000, 0.0003393300000000 ] - [ 0.0001756300000000, -0.0000513500000000, -0.0001754900000000 ] - [ 0.0008687300000000, 0.0009768800000000, -0.0006167000000000 ] - [ -0.0102553400000000, -0.0063919000000000, 0.0206000700000000 ] - [ -0.0005699300000000, 0.0051207800000000, -0.0086325800000000 ] - [ 0.0009565000000000, 0.0007086300000000, -0.0005494700000000 ] - [ 0.0012406100000000, 0.0126385100000000, 0.0033303200000000 ] - [ -0.0003428500000000, 0.0006298700000000, 0.0016250800000000 ] - [ -0.0015331000000000, 0.0000449700000000, -0.0015371300000000 ] - [ 0.0051968000000000, -0.0005537200000000, -0.0007059600000000 ] - [ -0.0014951400000000, -0.0001721700000000, -0.0000236800000000 ] - [ 0.0017526300000000, -0.0013892000000000, 0.0001248200000000 ] - [ 0.0013537300000000, 0.0006708200000000, 0.0010414800000000 ] - [ -0.0064891000000000, 0.0002256200000000, -0.0004055200000000 ] - [ 0.0006952200000000, -0.0000457700000000, 0.0001321500000000 ] - [ -0.0015243400000000, -0.0023329100000000, 0.0000350400000000 ] - [ -0.0003761900000000, -0.0002192100000000, -0.0001982400000000 ] - [ 0.0010740600000000, -0.0002300200000000, 0.0000174900000000 ] - [ 0.0038431800000000, -0.0007620500000000, -0.0002142800000000 ] - [ 0.0000831600000000, -0.0007127300000000, 0.0012023100000000 ] - [ -0.0007204600000000, -0.0031809700000000, -0.0009727200000000 ] - [ 0.0000109700000000, -0.0006290100000000, 0.0001956200000000 ] - [ -0.0022535200000000, -0.0001946500000000, -0.0001542200000000 ] - [ 0.0007986800000000, -0.0006387400000000, -0.0005572000000000 ] - [ -0.0101653300000000, 0.0125312800000000, 0.0177618100000000 ] - [ -0.0021003000000000, 0.0000632400000000, 0.0000738700000000 ] - [ -0.0139471600000000, 0.0111808100000000, -0.0158174100000000 ] - [ -0.0060091200000000, -0.0006485500000000, -0.0009347100000000 ] - [ -0.0023761700000000, -0.0014286400000000, 0.0000840400000000 ] - [ -0.0004855100000000, 0.0004604000000000, 0.0001929500000000 ] - [ -0.0193276300000000, 0.0033858800000000, 0.0018196400000000 ] - [ -0.0012418300000000, -0.0006994500000000, -0.0016557600000000 ] - [ -0.0029977300000000, -0.0002353500000000, 0.0019720500000000 ] - [ -0.0011368800000000, -0.0000688200000000, -0.0004179500000000 ] - [ -0.0010143200000000, 0.0022631600000000, 0.0008903900000000 ] - [ 0.0001230500000000, 0.0009023900000000, -0.0002034700000000 ] - [ -0.0012259700000000, 0.0023750100000000, 0.0001407500000000 ] - [ -0.0017351300000000, 0.0016740900000000, -0.0020726700000000 ] - [ 0.0004816100000000, 0.0002224000000000, 0.0004349900000000 ] - [ -0.0015881400000000, 0.0005378200000000, -0.0000666600000000 ] - [ -0.0472961800000000, -0.0152502700000000, -0.0010763800000000 ] - [ 0.0032656700000000, -0.0000362400000000, 0.0007905800000000 ] - [ 0.0033662500000000, 0.0005558300000000, 0.0003472400000000 ] - [ -0.0005251300000000, 0.0014654900000000, -0.0004215700000000 ] - [ -0.0018764100000000, -0.0019394100000000, -0.0053264900000000 ] - [ -0.0444264800000000, 0.0130155400000000, -0.0034551700000000 ] - [ -0.0004920600000000, -0.0011331700000000, -0.0003173800000000 ] - [ -0.0023909800000000, -0.0057524300000000, 0.0026733300000000 ] - [ -0.0233010200000000, 0.0007987300000000, 0.0007775200000000 ] - [ 0.0075890600000000, 0.0030910600000000, -0.0034909200000000 ] - [ 0.0012918500000000, 0.0011176500000000, 0.0010760000000000 ] - [ -0.0019048400000000, 0.0005719800000000, -0.0003720300000000 ] - [ 0.0013130500000000, 0.0008073100000000, -0.0003003300000000 ] - [ -0.0015258100000000, -0.0007419200000000, -0.0001809300000000 ] - [ -0.0256769000000000, -0.0005116400000000, 0.0000021300000000 ] - [ 0.0011544700000000, 0.0010130300000000, -0.0003470400000000 ] - [ 0.0008631300000000, -0.0017080300000000, 0.0005370500000000 ] - [ 0.0010099400000000, -0.0017313700000000, 0.0003534200000000 ] - [ 0.0010112200000000, 0.0000174600000000, 0.0002109400000000 ] - [ 0.0079279800000000, -0.0038413400000000, -0.0024230600000000 ] - [ 0.0023238200000000, -0.0002619600000000, 0.0002725500000000 ] - [ -0.0015581000000000, 0.0034157000000000, 0.0035484000000000 ] - [ -0.0022421600000000, 0.0000025900000000, -0.0077221000000000 ] - [ 0.0035763700000000, 0.0001794300000000, 0.0004226600000000 ] - [ -0.0003090800000000, -0.0050706600000000, -0.0053866500000000 ] - [ -0.0025550700000000, 0.0029586300000000, 0.0057327800000000 ] - [ -0.0012646600000000, 0.0004393000000000, 0.0013103300000000 ] - [ 0.0139344500000000, 0.0013317400000000, 0.0024367000000000 ] - [ 0.0009036300000000, -0.0003905300000000, -0.0002308000000000 ] - [ -0.0010210400000000, 0.0074269100000000, -0.0029698300000000 ] - [ 0.0088273300000000, -0.0046750600000000, 0.0030251700000000 ] - [ 0.0010252600000000, -0.0010067000000000, -0.0010712500000000 ] - [ 0.0013134700000000, 0.0014829600000000, -0.0000184700000000 ] - [ -0.0032763200000000, 0.0006479700000000, -0.0000157900000000 ] - [ -0.0031013600000000, -0.0003241600000000, -0.0006640400000000 ] - [ 0.0090470500000000, 0.0042150500000000, 0.0009017300000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004129800000000, -0.0029072900000000, -0.0003150800000000 ] - [ -0.0062674200000000, -0.0024915900000000, 0.0013531800000000 ] - [ 0.0002351300000000, 0.0001689700000000, 0.0000160100000000 ] - [ -0.0005511100000000, 0.0029460200000000, -0.0011843700000000 ] - [ 0.0000000800000000, -0.0001512000000000, 0.0005457800000000 ] - [ 0.0043668700000000, 0.0081940200000000, 0.0005924900000000 ] - [ -0.0002485700000000, -0.0005146500000000, -0.0002207300000000 ] - [ 0.0000658400000000, 0.0001788100000000, -0.0008032800000000 ] - [ -0.0005579700000000, 0.0017060900000000, 0.0001986800000000 ] - [ 0.0006319600000000, 0.0005782800000000, 0.0011058300000000 ] - [ 0.0025792900000000, -0.0005574500000000, -0.0045855700000000 ] - [ -0.0006308000000000, -0.0008179800000000, -0.0000831000000000 ] - [ 0.0035859400000000, -0.0992623600000000, -0.0015039400000000 ] - [ 0.0002011300000000, -0.0004103400000000, 0.0001568300000000 ] - [ -0.0002443200000000, 0.0015093900000000, -0.0001783500000000 ] - [ 0.0001210800000000, 0.0010373600000000, 0.0002492300000000 ] - [ -0.0007379400000000, 0.0012864600000000, 0.0002623400000000 ] - [ 0.0003255100000000, 0.0018071200000000, 0.0008496900000000 ] - [ 0.0114811800000000, -0.0020237500000000, 0.0016979500000000 ] - [ 0.0010495000000000, -0.0005123500000000, 0.0004562000000000 ] - [ 0.0030524200000000, 0.0044689900000000, 0.0011028500000000 ] - [ 0.0002083100000000, 0.0002311800000000, -0.0002201900000000 ] - [ 0.0005111800000000, 0.0012791000000000, -0.0005364500000000 ] - [ 0.0040168400000000, -0.0071004600000000, 0.0004352500000000 ] - [ -0.0028367500000000, 0.0014720700000000, -0.0058180800000000 ] - [ 0.0008661900000000, -0.0002850600000000, -0.0006014800000000 ] - [ -0.0034414500000000, 0.0073982200000000, 0.0016568000000000 ] - [ -0.0005286900000000, -0.0004630800000000, 0.0015801300000000 ] - [ 0.0002995900000000, -0.0007407400000000, 0.0001516800000000 ] - [ 0.0008831600000000, -0.0053481800000000, 0.0031940600000000 ] - [ -0.0001834300000000, 0.0003130500000000, 0.0003382100000000 ] - [ -0.0029685900000000, 0.0042561000000000, -0.0008483700000000 ] - [ -0.0004859800000000, -0.0006783100000000, -0.0003897900000000 ] - [ 0.0008130800000000, -0.0009726000000000, -0.0003854500000000 ] - [ 0.0006913800000000, 0.0048006600000000, -0.0051823700000000 ] - [ 0.0008378500000000, -0.0003042500000000, -0.0006533500000000 ] - [ 0.0000724200000000, 0.0003355200000000, -0.0000918300000000 ] - [ -0.0011693600000000, 0.0094958000000000, 0.0022010100000000 ] - [ 0.0003186700000000, 0.0259460500000000, 0.0004004400000000 ] - [ 0.0008612200000000, 0.0003855800000000, 0.0001547100000000 ] - [ 0.0012715900000000, 0.0003412300000000, 0.0001552500000000 ] - [ -0.0004765200000000, 0.0002230100000000, -0.0003581500000000 ] - [ 0.0000661600000000, 0.0006242000000000, -0.0000152700000000 ] - [ -0.0005135800000000, 0.0006486800000000, 0.0005282200000000 ] - [ -0.0123388000000000, -0.0044823200000000, 0.0046976100000000 ] - [ -0.0000634400000000, -0.0000523100000000, 0.0000044600000000 ] - [ -0.0075885100000000, -0.0044298500000000, -0.0007806900000000 ] - [ -0.0009167600000000, -0.0008642800000000, 0.0004777700000000 ] - [ 0.0006724500000000, 0.0020213000000000, -0.0006462600000000 ] - [ 0.0000507300000000, 0.0003691700000000, 0.0003380900000000 ] - [ 0.0060197500000000, -0.0026928700000000, -0.0009071300000000 ] - [ -0.0004998300000000, -0.0006206400000000, -0.0005086300000000 ] - [ -0.0008423000000000, -0.0005291600000000, 0.0003438000000000 ] - [ -0.0000843100000000, 0.0007914100000000, 0.0000369100000000 ] - [ -0.0008900700000000, 0.0008590300000000, 0.0001580000000000 ] - [ 0.0002918300000000, 0.0006835700000000, -0.0000863000000000 ] - [ -0.0001799300000000, -0.0005733000000000, -0.0003268000000000 ] - [ -0.0008330500000000, -0.0002549800000000, 0.0000167600000000 ] - [ -0.0004748300000000, 0.0009180100000000, 0.0001563600000000 ] - [ -0.0000334200000000, 0.0008669900000000, -0.0005074000000000 ] - [ 0.0066127200000000, 0.0204453600000000, 0.0011322000000000 ] - [ 0.0001353000000000, -0.0000051900000000, -0.0001040900000000 ] - [ -0.0004185000000000, -0.0007001300000000, 0.0008121300000000 ] - [ 0.0003914400000000, -0.0000703400000000, -0.0005374200000000 ] - [ -0.0000312900000000, 0.0012862700000000, -0.0008123200000000 ] - [ -0.0080455300000000, 0.0214167700000000, -0.0013944200000000 ] - [ -0.0003682300000000, -0.0003819400000000, -0.0002895300000000 ] - [ 0.0007444200000000, -0.0059763800000000, 0.0021936100000000 ] - [ -0.0009234700000000, 0.0179310200000000, -0.0036801600000000 ] - [ -0.0008611400000000, 0.0014019300000000, -0.0013213200000000 ] - [ -0.0001195200000000, -0.0006898100000000, -0.0002177900000000 ] - [ -0.0001765300000000, -0.0036219800000000, -0.0015965700000000 ] - [ -0.0016354900000000, -0.0020129500000000, 0.0002682300000000 ] - [ -0.0001332800000000, -0.0035507000000000, 0.0003846800000000 ] - [ 0.0018936400000000, 0.0234902700000000, 0.0058324000000000 ] - [ -0.0005923700000000, 0.0005362100000000, -0.0004333400000000 ] - [ 0.0003404400000000, -0.0008693200000000, -0.0001125800000000 ] - [ 0.0016422900000000, -0.0017593100000000, -0.0001803500000000 ] - [ 0.0007032300000000, 0.0003093500000000, -0.0000814700000000 ] - [ 0.0032082200000000, 0.0014967700000000, 0.0011439100000000 ] - [ 0.0000914100000000, -0.0011528200000000, -0.0006794200000000 ] - [ -0.0000425300000000, -0.0049055400000000, -0.0025676700000000 ] - [ 0.0010725500000000, 0.0047875200000000, 0.0008307300000000 ] - [ -0.0000655600000000, 0.0014641100000000, 0.0008927200000000 ] - [ 0.0004329700000000, -0.0043286400000000, -0.0042134600000000 ] - [ -0.0021045400000000, 0.0048368100000000, 0.0028616000000000 ] - [ 0.0007331300000000, 0.0017107800000000, -0.0004391600000000 ] - [ -0.0002034100000000, -0.0016995000000000, 0.0011172700000000 ] - [ -0.0003911400000000, -0.0006121300000000, -0.0004268800000000 ] - [ -0.0005927100000000, -0.0061020800000000, 0.0039174400000000 ] - [ 0.0019883500000000, 0.0000315500000000, -0.0003377000000000 ] - [ 0.0004934200000000, -0.0008218400000000, 0.0000913100000000 ] - [ 0.0001115200000000, 0.0000723700000000, 0.0000434500000000 ] - [ 0.0004362700000000, -0.0101492400000000, -0.0028601500000000 ] - [ -0.0008219500000000, 0.0011577500000000, 0.0016545200000000 ] - [ -0.0029517400000000, -0.0010651200000000, 0.0012354400000000 ]- atom: 13 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000900700000000, 0.0029207400000000, 0.0003825400000000 ] - [ 0.0065893900000000, 0.0024981700000000, -0.0014134700000000 ] - [ 0.0000785000000000, -0.0001942600000000, -0.0000746100000000 ] - [ 0.0002242500000000, -0.0029585600000000, 0.0012445100000000 ] - [ 0.0001089500000000, -0.0000511500000000, -0.0001902900000000 ] - [ -0.0045338000000000, -0.0084341800000000, -0.0009576600000000 ] - [ 0.0001377600000000, 0.0007307300000000, -0.0001287100000000 ] - [ 0.0000442500000000, 0.0000397000000000, 0.0011488200000000 ] - [ -0.0006437000000000, -0.0004275700000000, -0.0001786700000000 ] - [ 0.0005676100000000, 0.0006980400000000, -0.0011270000000000 ] - [ -0.0013950600000000, -0.0006928200000000, 0.0045716100000000 ] - [ -0.0005689800000000, -0.0004319000000000, 0.0000959300000000 ] - [ -0.0036253100000000, 0.0970856300000000, 0.0009896900000000 ] - [ -0.0003271700000000, 0.0000498400000000, -0.0001366200000000 ] - [ 0.0001342700000000, -0.0011476500000000, 0.0001908900000000 ] - [ -0.0000028100000000, -0.0006712500000000, -0.0002537900000000 ] - [ 0.0007339100000000, -0.0019612700000000, 0.0000197000000000 ] - [ -0.0003078000000000, -0.0024730300000000, -0.0011420600000000 ] - [ -0.0118539300000000, 0.0023423700000000, -0.0023220700000000 ] - [ -0.0006364800000000, 0.0008867100000000, 0.0001671500000000 ] - [ -0.0026118800000000, -0.0048149400000000, -0.0004734400000000 ] - [ -0.0006043400000000, -0.0006192700000000, -0.0003992900000000 ] - [ -0.0005052700000000, -0.0010723300000000, 0.0005424400000000 ] - [ -0.0041020500000000, 0.0068561700000000, -0.0003414700000000 ] - [ 0.0019789100000000, -0.0006276000000000, 0.0060339200000000 ] - [ 0.0000078200000000, 0.0011189000000000, 0.0003960700000000 ] - [ 0.0043651700000000, -0.0082534200000000, -0.0018748000000000 ] - [ -0.0003429600000000, -0.0003564800000000, -0.0013724500000000 ] - [ -0.0003072000000000, 0.0014156800000000, 0.0001369900000000 ] - [ -0.0008639100000000, 0.0059682600000000, -0.0034676700000000 ] - [ -0.0001524900000000, -0.0003019000000000, -0.0002874700000000 ] - [ 0.0032553300000000, -0.0042067200000000, 0.0007877100000000 ] - [ 0.0008054500000000, 0.0006541200000000, 0.0003350700000000 ] - [ -0.0011312000000000, 0.0009469900000000, 0.0004380700000000 ] - [ -0.0005822400000000, -0.0050115400000000, 0.0055475100000000 ] - [ -0.0009439200000000, 0.0000780100000000, 0.0002993600000000 ] - [ -0.0001831100000000, -0.0001253600000000, -0.0002439100000000 ] - [ 0.0012697000000000, -0.0092235100000000, -0.0018401900000000 ] - [ -0.0014913500000000, -0.0242108200000000, -0.0004248500000000 ] - [ 0.0003414700000000, 0.0008832100000000, -0.0001718000000000 ] - [ -0.0000680800000000, -0.0016194200000000, -0.0001739300000000 ] - [ -0.0007248300000000, -0.0014950000000000, 0.0003862300000000 ] - [ 0.0000526300000000, -0.0009836100000000, 0.0000063400000000 ] - [ 0.0003907300000000, -0.0010107500000000, -0.0005230800000000 ] - [ 0.0121956800000000, 0.0047507800000000, -0.0047149500000000 ] - [ 0.0001811300000000, 0.0004124100000000, -0.0000107400000000 ] - [ 0.0076288300000000, 0.0036900000000000, 0.0011053100000000 ] - [ 0.0009360400000000, 0.0001951200000000, -0.0007574100000000 ] - [ -0.0010948800000000, -0.0016420400000000, 0.0000327800000000 ] - [ 0.0003658600000000, 0.0000069200000000, 0.0002809400000000 ] - [ -0.0055984400000000, 0.0022909100000000, 0.0015192900000000 ] - [ 0.0000877600000000, 0.0002441400000000, -0.0001026800000000 ] - [ 0.0008404600000000, 0.0007341000000000, -0.0003451100000000 ] - [ 0.0000760000000000, -0.0009971700000000, -0.0000418300000000 ] - [ 0.0000140800000000, -0.0000389400000000, 0.0000506900000000 ] - [ 0.0005795800000000, 0.0001421900000000, -0.0001234400000000 ] - [ 0.0010527600000000, -0.0002746900000000, 0.0001091100000000 ] - [ -0.0000370300000000, -0.0005847200000000, 0.0001993400000000 ] - [ 0.0004538500000000, -0.0002455100000000, 0.0001326000000000 ] - [ 0.0000504100000000, -0.0001978200000000, 0.0002218100000000 ] - [ -0.0067515100000000, -0.0212180400000000, -0.0016821400000000 ] - [ -0.0002044500000000, -0.0008814400000000, 0.0006816600000000 ] - [ 0.0003480600000000, 0.0015699800000000, -0.0002268200000000 ] - [ -0.0003155700000000, 0.0009422200000000, -0.0000487000000000 ] - [ -0.0000017600000000, -0.0018544500000000, 0.0008675700000000 ] - [ 0.0083991500000000, -0.0218859900000000, 0.0013370900000000 ] - [ 0.0003965900000000, 0.0009221700000000, 0.0002022600000000 ] - [ -0.0007882600000000, 0.0065089700000000, -0.0021270900000000 ] - [ 0.0005175100000000, -0.0181460700000000, 0.0032043000000000 ] - [ 0.0012776700000000, -0.0019740300000000, 0.0010437900000000 ] - [ 0.0005103600000000, 0.0012836600000000, -0.0000626000000000 ] - [ -0.0002191600000000, 0.0041951500000000, 0.0018514600000000 ] - [ 0.0016844700000000, 0.0011458400000000, -0.0008543900000000 ] - [ 0.0000601300000000, 0.0026776900000000, 0.0002082000000000 ] - [ -0.0019087800000000, -0.0214872600000000, -0.0041059500000000 ] - [ 0.0006621400000000, 0.0003484500000000, -0.0001594400000000 ] - [ -0.0003668500000000, 0.0003298000000000, 0.0001985300000000 ] - [ -0.0015890800000000, 0.0012270500000000, 0.0000972600000000 ] - [ -0.0006682100000000, 0.0002427600000000, -0.0000062100000000 ] - [ -0.0032430600000000, -0.0009366900000000, -0.0010520500000000 ] - [ -0.0004911000000000, 0.0005571300000000, 0.0009617300000000 ] - [ 0.0004472700000000, 0.0043063200000000, 0.0023125500000000 ] - [ -0.0006703700000000, -0.0042011100000000, -0.0010999000000000 ] - [ -0.0003349600000000, -0.0008757400000000, -0.0006123900000000 ] - [ -0.0004394600000000, 0.0043587600000000, 0.0042293900000000 ] - [ 0.0020967500000000, -0.0048706900000000, -0.0028549900000000 ] - [ 0.0002220500000000, -0.0008727000000000, 0.0009381800000000 ] - [ -0.0007556000000000, 0.0025371600000000, -0.0016186200000000 ] - [ -0.0005646500000000, -0.0002471100000000, -0.0000803100000000 ] - [ 0.0015646800000000, 0.0052304900000000, -0.0034244600000000 ] - [ -0.0020117400000000, 0.0000354800000000, 0.0003336600000000 ] - [ -0.0004893700000000, 0.0007895500000000, -0.0000939400000000 ] - [ 0.0008377700000000, 0.0007969100000000, 0.0004618400000000 ] - [ -0.0013808100000000, 0.0109466200000000, 0.0023139200000000 ] - [ -0.0001365100000000, -0.0020005300000000, -0.0021692400000000 ] - [ 0.0039082900000000, 0.0002170600000000, -0.0007210700000000 ]- atom: 13 displacement: [ -0.0005876189178017, 0.0000000000000000, 0.0099827202709202 ] forces: - [ 0.0009612000000000, 0.0026534200000000, 0.0067293900000000 ] - [ -0.0005066700000000, 0.0003357400000000, -0.0013650400000000 ] - [ 0.0002040600000000, 0.0000622900000000, 0.0004886700000000 ] - [ -0.0000522300000000, -0.0001567300000000, -0.0000221000000000 ] - [ 0.0000351400000000, 0.0002812600000000, 0.0002566900000000 ] - [ 0.0008186000000000, -0.0007354500000000, -0.0029949100000000 ] - [ 0.0000142600000000, -0.0003175400000000, 0.0026631400000000 ] - [ -0.0000439800000000, -0.0001166000000000, -0.0001444500000000 ] - [ -0.0008416400000000, 0.0003556800000000, -0.0005752500000000 ] - [ 0.0011878100000000, 0.0020182300000000, 0.0004771300000000 ] - [ -0.0016941000000000, -0.0031477800000000, 0.0003471900000000 ] - [ -0.0005286000000000, -0.0008345800000000, 0.0009667400000000 ] - [ 0.0164929700000000, -0.0028856100000000, -0.0993243700000000 ] - [ -0.0020251900000000, -0.0003115500000000, 0.0019260600000000 ] - [ 0.0002161100000000, 0.0000105700000000, -0.0002164600000000 ] - [ 0.0000106100000000, -0.0000630700000000, 0.0014855600000000 ] - [ -0.0002990900000000, 0.0000590700000000, -0.0004041700000000 ] - [ 0.0000596200000000, -0.0004083100000000, -0.0006633800000000 ] - [ 0.0124952900000000, 0.0036719000000000, -0.0006058200000000 ] - [ -0.0005393600000000, 0.0002737800000000, 0.0031999800000000 ] - [ 0.0005981600000000, -0.0003650100000000, -0.0010202600000000 ] - [ -0.0006864000000000, -0.0005742700000000, 0.0001214100000000 ] - [ 0.0002461700000000, 0.0002338000000000, 0.0007462600000000 ] - [ -0.0201515200000000, -0.0015785100000000, 0.0105132000000000 ] - [ 0.0033168100000000, -0.0028813000000000, 0.0008090800000000 ] - [ 0.0006456900000000, -0.0002099700000000, 0.0029674200000000 ] - [ -0.0005931200000000, 0.0010039800000000, -0.0023856500000000 ] - [ -0.0008663000000000, 0.0009496900000000, 0.0005914400000000 ] - [ 0.0010118400000000, 0.0007653900000000, 0.0019380500000000 ] - [ 0.0010465700000000, -0.0009970200000000, 0.0091739500000000 ] - [ -0.0002556100000000, -0.0003044700000000, 0.0000032200000000 ] - [ 0.0001676300000000, -0.0000227100000000, -0.0013905100000000 ] - [ 0.0005950600000000, 0.0009105100000000, 0.0032622300000000 ] - [ -0.0000557000000000, -0.0002388500000000, 0.0002104600000000 ] - [ -0.0010250500000000, -0.0096057300000000, 0.0110419400000000 ] - [ 0.0002952000000000, -0.0003821400000000, -0.0026980300000000 ] - [ -0.0001794500000000, -0.0002134000000000, 0.0007312500000000 ] - [ -0.0010018600000000, 0.0109062300000000, -0.0005597900000000 ] - [ -0.0005851100000000, -0.0064085000000000, -0.0116217700000000 ] - [ 0.0001836200000000, -0.0002894300000000, 0.0009897300000000 ] - [ 0.0012245800000000, 0.0008891600000000, -0.0000217600000000 ] - [ -0.0008239200000000, -0.0019088300000000, 0.0034383300000000 ] - [ 0.0000733000000000, -0.0001894000000000, -0.0005140900000000 ] - [ 0.0005427100000000, -0.0007279100000000, 0.0001184500000000 ] - [ -0.0183865000000000, 0.0056233300000000, 0.0075477600000000 ] - [ -0.0001458400000000, 0.0001637100000000, 0.0013498500000000 ] - [ 0.0163795700000000, -0.0035690900000000, 0.0017869100000000 ] - [ 0.0004661000000000, -0.0000045900000000, -0.0000902400000000 ] - [ -0.0005356100000000, -0.0003800400000000, -0.0008760000000000 ] - [ 0.0003359000000000, 0.0000946500000000, 0.0007404200000000 ] - [ -0.0022641300000000, -0.0000432100000000, -0.0005038000000000 ] - [ 0.0005651800000000, -0.0001853500000000, 0.0011291500000000 ] - [ -0.0016432500000000, 0.0003032200000000, 0.0022173200000000 ] - [ 0.0001382700000000, -0.0000701700000000, -0.0005737500000000 ] - [ -0.0008357200000000, 0.0016415500000000, 0.0002304300000000 ] - [ 0.0004190400000000, 0.0002032000000000, 0.0008075100000000 ] - [ 0.0010852900000000, -0.0014701500000000, -0.0027153800000000 ] - [ 0.0003321700000000, -0.0017481800000000, 0.0013793200000000 ] - [ -0.0002215800000000, 0.0005878600000000, 0.0009298500000000 ] - [ -0.0000438800000000, 0.0004472000000000, 0.0001773900000000 ] - [ -0.0052082400000000, -0.0021191300000000, 0.0166687900000000 ] - [ 0.0002334400000000, -0.0012878900000000, -0.0009624100000000 ] - [ 0.0001295700000000, 0.0006538300000000, 0.0006122500000000 ] - [ 0.0000325700000000, 0.0003191000000000, -0.0018206700000000 ] - [ 0.0024250100000000, -0.0032472600000000, -0.0063234100000000 ] - [ -0.0017441300000000, 0.0004484700000000, 0.0170853700000000 ] - [ 0.0001792400000000, 0.0005866500000000, -0.0016909200000000 ] - [ -0.0007959600000000, 0.0022573900000000, 0.0016864100000000 ] - [ -0.0008351900000000, 0.0026547200000000, 0.0166682300000000 ] - [ 0.0051978500000000, 0.0020923300000000, 0.0016659100000000 ] - [ 0.0000013100000000, 0.0000350000000000, -0.0014014600000000 ] - [ -0.0002099700000000, -0.0007413600000000, -0.0039475800000000 ] - [ -0.0001183100000000, -0.0006726600000000, 0.0009732500000000 ] - [ 0.0002255500000000, 0.0033198400000000, -0.0010567900000000 ] - [ -0.0002002800000000, 0.0003830200000000, 0.0253204100000000 ] - [ 0.0005979700000000, 0.0004199700000000, -0.0028824800000000 ] - [ -0.0004583400000000, 0.0005144700000000, -0.0003709200000000 ] - [ 0.0002296700000000, 0.0000456500000000, 0.0012868700000000 ] - [ -0.0002540100000000, 0.0002426000000000, -0.0027046400000000 ] - [ 0.0048104100000000, -0.0016652100000000, 0.0014121400000000 ] - [ -0.0000895000000000, -0.0002412500000000, 0.0009610500000000 ] - [ -0.0004145800000000, -0.0008435000000000, 0.0015044800000000 ] - [ 0.0039045000000000, 0.0021323100000000, -0.0071602700000000 ] - [ -0.0001387800000000, 0.0010761500000000, -0.0014413700000000 ] - [ 0.0007732400000000, -0.0013189800000000, 0.0008094000000000 ] - [ -0.0051121500000000, 0.0025255200000000, -0.0056832200000000 ] - [ -0.0030884600000000, -0.0022137500000000, -0.0039565600000000 ] - [ 0.0010272700000000, 0.0010142900000000, 0.0010172300000000 ] - [ -0.0006361600000000, -0.0003778600000000, -0.0009013200000000 ] - [ 0.0012222400000000, 0.0022971800000000, 0.0023976100000000 ] - [ -0.0041438400000000, 0.0035387200000000, 0.0011130000000000 ] - [ 0.0002864200000000, -0.0003099100000000, -0.0014002800000000 ] - [ 0.0009903200000000, 0.0011090600000000, -0.0005254300000000 ] - [ -0.0013159600000000, 0.0014620800000000, 0.0059806700000000 ] - [ -0.0002030100000000, -0.0020246500000000, -0.0078296700000000 ] - [ -0.0026328700000000, -0.0031648800000000, 0.0026904100000000 ]- atom: 13 displacement: [ 0.0005876189178017, 0.0000000000000000, -0.0099827202709202 ] forces: - [ -0.0012982600000000, -0.0026741600000000, -0.0067502300000000 ] - [ 0.0007519300000000, -0.0003503200000000, 0.0013361700000000 ] - [ 0.0001283300000000, -0.0000812200000000, -0.0005454600000000 ] - [ -0.0002756000000000, 0.0001566400000000, 0.0000628600000000 ] - [ 0.0000769100000000, -0.0004993100000000, 0.0000898100000000 ] - [ -0.0009114700000000, 0.0005933700000000, 0.0026597700000000 ] - [ -0.0001334000000000, 0.0005198900000000, -0.0030250700000000 ] - [ 0.0001562100000000, 0.0003323400000000, 0.0004778400000000 ] - [ -0.0003576200000000, 0.0009343000000000, 0.0005993200000000 ] - [ 0.0000030400000000, -0.0007674500000000, -0.0004800300000000 ] - [ 0.0028802600000000, 0.0018763600000000, -0.0004027100000000 ] - [ -0.0006701400000000, -0.0004359600000000, -0.0009536000000000 ] - [ -0.0163140400000000, 0.0000108500000000, 0.1000529600000000 ] - [ 0.0019239400000000, -0.0000500300000000, -0.0019207100000000 ] - [ -0.0003371300000000, 0.0003569200000000, 0.0002201400000000 ] - [ 0.0001085700000000, 0.0004324200000000, -0.0014978500000000 ] - [ 0.0002744700000000, -0.0007212000000000, 0.0006969300000000 ] - [ -0.0000392000000000, -0.0002484100000000, 0.0003982600000000 ] - [ -0.0128671700000000, -0.0033173200000000, -0.0000758800000000 ] - [ 0.0009579200000000, 0.0001101900000000, -0.0025877700000000 ] - [ -0.0001996500000000, -0.0000153000000000, 0.0016308000000000 ] - [ 0.0002864100000000, 0.0001979300000000, -0.0007357400000000 ] - [ -0.0002389300000000, -0.0000235600000000, -0.0007562200000000 ] - [ 0.0204419600000000, 0.0013744400000000, -0.0105709400000000 ] - [ -0.0041705800000000, 0.0037025500000000, -0.0006391500000000 ] - [ 0.0002353300000000, 0.0010327200000000, -0.0031910500000000 ] - [ 0.0014555400000000, -0.0017638700000000, 0.0022049800000000 ] - [ -0.0000039300000000, -0.0017940800000000, -0.0003608100000000 ] - [ -0.0010211200000000, -0.0000959400000000, -0.0016669700000000 ] - [ -0.0010104400000000, 0.0016572300000000, -0.0093459400000000 ] - [ -0.0000739400000000, 0.0003271200000000, 0.0000569600000000 ] - [ 0.0001701800000000, 0.0000446500000000, 0.0013331300000000 ] - [ -0.0002793900000000, -0.0009313800000000, -0.0033305500000000 ] - [ -0.0002797500000000, 0.0002128800000000, -0.0001635900000000 ] - [ 0.0011568500000000, 0.0095209400000000, -0.0108560700000000 ] - [ -0.0004074700000000, 0.0001665100000000, 0.0023662400000000 ] - [ 0.0000698900000000, 0.0004305100000000, -0.0010826100000000 ] - [ 0.0010943000000000, -0.0105687000000000, 0.0009132700000000 ] - [ -0.0006125300000000, 0.0076093500000000, 0.0116867800000000 ] - [ 0.0010200400000000, 0.0015648100000000, -0.0010067200000000 ] - [ -0.0000264600000000, -0.0021675200000000, -0.0000001000000000 ] - [ -0.0003718100000000, 0.0006520800000000, -0.0034417900000000 ] - [ 0.0000438100000000, -0.0001670500000000, 0.0005070100000000 ] - [ -0.0006711200000000, 0.0003757900000000, -0.0001008700000000 ] - [ 0.0180700500000000, -0.0052157300000000, -0.0075377800000000 ] - [ 0.0002647300000000, 0.0001934600000000, -0.0013634500000000 ] - [ -0.0165192000000000, 0.0028909200000000, -0.0014461500000000 ] - [ -0.0004484000000000, -0.0006720900000000, -0.0001845300000000 ] - [ 0.0001312400000000, 0.0007701500000000, 0.0002540400000000 ] - [ 0.0000624100000000, 0.0002908500000000, -0.0001239300000000 ] - [ 0.0027415100000000, -0.0003781100000000, 0.0011134900000000 ] - [ -0.0009887000000000, -0.0001928200000000, -0.0017428600000000 ] - [ 0.0016346300000000, -0.0001032800000000, -0.0022245500000000 ] - [ -0.0001380300000000, -0.0001264000000000, 0.0005811900000000 ] - [ -0.0000404900000000, -0.0008099800000000, -0.0000212500000000 ] - [ 0.0004518100000000, 0.0006347700000000, -0.0010253600000000 ] - [ -0.0002163400000000, 0.0006381000000000, 0.0025053600000000 ] - [ -0.0012098500000000, 0.0009215100000000, -0.0011661300000000 ] - [ 0.0001964900000000, 0.0000859000000000, -0.0006484800000000 ] - [ 0.0000624900000000, 0.0002273600000000, -0.0004683300000000 ] - [ 0.0053214700000000, 0.0013218200000000, -0.0173273400000000 ] - [ -0.0002973500000000, 0.0004203700000000, 0.0015429400000000 ] - [ -0.0001940400000000, 0.0002108600000000, -0.0000197800000000 ] - [ 0.0000396600000000, 0.0005576900000000, 0.0012384300000000 ] - [ -0.0024947500000000, 0.0027282900000000, 0.0064154500000000 ] - [ 0.0016711300000000, -0.0009070200000000, -0.0171976000000000 ] - [ -0.0001481400000000, -0.0000411700000000, 0.0016165700000000 ] - [ 0.0007589100000000, -0.0017400900000000, -0.0015783200000000 ] - [ 0.0003866000000000, -0.0021664800000000, -0.0178906300000000 ] - [ -0.0048241400000000, -0.0026785800000000, -0.0019776500000000 ] - [ 0.0004025500000000, 0.0005566900000000, 0.0011362900000000 ] - [ -0.0001984600000000, 0.0013065000000000, 0.0042301100000000 ] - [ 0.0001850500000000, -0.0002089000000000, -0.0015586000000000 ] - [ -0.0002911700000000, -0.0042482000000000, 0.0016376000000000 ] - [ 0.0001947000000000, 0.0015669800000000, -0.0238317300000000 ] - [ -0.0005474300000000, 0.0004538000000000, 0.0023061200000000 ] - [ 0.0004268400000000, -0.0010683900000000, 0.0004450500000000 ] - [ -0.0001917900000000, -0.0006007900000000, -0.0013631900000000 ] - [ 0.0003057800000000, 0.0003001300000000, 0.0026325900000000 ] - [ -0.0048286400000000, 0.0022390300000000, -0.0013167900000000 ] - [ -0.0003160100000000, -0.0003603500000000, -0.0006966000000000 ] - [ 0.0008227500000000, 0.0002311600000000, -0.0018238900000000 ] - [ -0.0034719400000000, -0.0015153200000000, 0.0069100500000000 ] - [ -0.0002662700000000, -0.0004756700000000, 0.0017396200000000 ] - [ -0.0007726300000000, 0.0013296100000000, -0.0008633500000000 ] - [ 0.0050646700000000, -0.0025226800000000, 0.0057166000000000 ] - [ 0.0040907600000000, 0.0031000300000000, 0.0044732800000000 ] - [ -0.0019827800000000, -0.0001938100000000, -0.0015107700000000 ] - [ -0.0003169400000000, -0.0004870700000000, 0.0003973400000000 ] - [ -0.0002729700000000, -0.0031864500000000, -0.0018550200000000 ] - [ 0.0041438300000000, -0.0034938600000000, -0.0011255300000000 ] - [ -0.0002799800000000, 0.0002717100000000, 0.0014094000000000 ] - [ -0.0000427800000000, -0.0002581200000000, 0.0010314700000000 ] - [ 0.0003521500000000, -0.0006237700000000, -0.0064393100000000 ] - [ -0.0007573600000000, 0.0011760200000000, 0.0073744700000000 ] - [ 0.0036096600000000, 0.0023314100000000, -0.0021833100000000 ]- atom: 17 displacement: [ 0.0099999882271062, 0.0000000000000000, 0.0000153446321733 ] forces: - [ 0.0010364800000000, -0.0002104700000000, 0.0003241200000000 ] - [ -0.0030359200000000, 0.0009255600000000, -0.0001698100000000 ] - [ -0.0026618200000000, -0.0001096000000000, -0.0011420200000000 ] - [ 0.0020034500000000, -0.0003815300000000, -0.0003757600000000 ] - [ 0.0009285800000000, 0.0058952100000000, -0.0072602800000000 ] - [ 0.0018208700000000, -0.0002149700000000, -0.0006623600000000 ] - [ 0.0005191000000000, 0.0000372500000000, 0.0000067100000000 ] - [ -0.0006182400000000, 0.0020634800000000, 0.0021771000000000 ] - [ 0.0013889500000000, 0.0098318900000000, 0.0079636400000000 ] - [ 0.0021095100000000, 0.0003039600000000, 0.0004016000000000 ] - [ 0.0014526300000000, -0.0005049200000000, 0.0000333100000000 ] - [ -0.0006283200000000, 0.0004229900000000, -0.0015184700000000 ] - [ 0.0019012400000000, -0.0009168500000000, -0.0001844400000000 ] - [ -0.0025598500000000, -0.0004931100000000, -0.0000904700000000 ] - [ -0.0052709000000000, 0.0010378900000000, 0.0006950600000000 ] - [ 0.0015911000000000, -0.0001235100000000, 0.0011013500000000 ] - [ -0.2290312900000000, 0.0728851000000000, -0.0254305100000000 ] - [ 0.0189915600000000, 0.0001895900000000, 0.0047881500000000 ] - [ -0.0014845400000000, -0.0013137000000000, -0.0010286500000000 ] - [ -0.0003917800000000, -0.0005107000000000, 0.0008586000000000 ] - [ 0.0083206200000000, 0.0051196800000000, -0.0105009200000000 ] - [ -0.0028713500000000, 0.0026464000000000, 0.0072434700000000 ] - [ -0.0013178000000000, 0.0009252900000000, -0.0003499200000000 ] - [ -0.0010330500000000, -0.0015121000000000, 0.0002045900000000 ] - [ -0.0009786000000000, -0.0011657000000000, -0.0019358300000000 ] - [ 0.0000997200000000, -0.0007230300000000, 0.0011702000000000 ] - [ 0.0071117100000000, -0.0166785300000000, -0.0113038000000000 ] - [ 0.0003715000000000, -0.0088275800000000, 0.0090024600000000 ] - [ -0.0014878200000000, -0.0002775600000000, -0.0001546000000000 ] - [ 0.0006548200000000, 0.0000821600000000, -0.0002080400000000 ] - [ 0.0053789100000000, -0.0066026400000000, -0.0118828600000000 ] - [ 0.0053235000000000, 0.0004027200000000, -0.0001425800000000 ] - [ 0.0013025800000000, 0.0002021600000000, 0.0001989900000000 ] - [ -0.0007087900000000, 0.0000855900000000, -0.0000118100000000 ] - [ 0.0005124000000000, 0.0009051500000000, 0.0003964900000000 ] - [ -0.0012453300000000, -0.0012732100000000, -0.0001432600000000 ] - [ -0.0016851400000000, -0.0001133500000000, -0.0005723100000000 ] - [ 0.0014680000000000, 0.0013186000000000, -0.0010155300000000 ] - [ 0.0002838000000000, 0.0018420300000000, 0.0000924100000000 ] - [ -0.0011098200000000, -0.0003116100000000, -0.0002642100000000 ] - [ -0.0000005300000000, -0.0017966100000000, 0.0015959300000000 ] - [ -0.0002841200000000, 0.0001087800000000, 0.0008819400000000 ] - [ 0.0140261800000000, -0.0078611800000000, 0.0174481000000000 ] - [ 0.0059601300000000, 0.0007405600000000, 0.0008039300000000 ] - [ 0.0015411700000000, 0.0001395800000000, 0.0000464500000000 ] - [ -0.0004277000000000, 0.0006467600000000, -0.0002435500000000 ] - [ 0.0015967700000000, -0.0007268500000000, 0.0002135100000000 ] - [ -0.0003781900000000, -0.0001493000000000, -0.0001174100000000 ] - [ 0.0026657500000000, 0.0010847800000000, 0.0006678200000000 ] - [ 0.0024344800000000, 0.0005179300000000, -0.0008769600000000 ] - [ 0.0016216400000000, 0.0011352300000000, 0.0007580400000000 ] - [ 0.0010001300000000, -0.0003936200000000, -0.0003547100000000 ] - [ 0.0007582900000000, -0.0000869400000000, 0.0001529300000000 ] - [ 0.0149971200000000, -0.0059925500000000, -0.0008012500000000 ] - [ 0.0003042800000000, -0.0003108800000000, 0.0012598500000000 ] - [ 0.0011024500000000, -0.0001485500000000, -0.0006339300000000 ] - [ 0.0010128800000000, -0.0021172800000000, -0.0001883800000000 ] - [ 0.0002843900000000, -0.0017082700000000, -0.0001136100000000 ] - [ 0.0017410400000000, 0.0005772000000000, 0.0004549400000000 ] - [ -0.0003437300000000, -0.0002219300000000, 0.0009768100000000 ] - [ -0.0028428200000000, -0.0002569700000000, -0.0002176000000000 ] - [ 0.0003619400000000, -0.0042290800000000, 0.0013428600000000 ] - [ 0.0012604900000000, -0.0011290400000000, -0.0061925400000000 ] - [ -0.0031227700000000, 0.0003934000000000, -0.0008801900000000 ] - [ 0.0009923600000000, 0.0051898300000000, -0.0012378400000000 ] - [ 0.0027446900000000, 0.0078810600000000, 0.0017229200000000 ] - [ 0.0023477100000000, -0.0005913900000000, -0.0042585000000000 ] - [ 0.0022320100000000, -0.0002892700000000, 0.0075068200000000 ] - [ -0.0014513400000000, -0.0006964400000000, -0.0002035800000000 ] - [ 0.0023658700000000, 0.0005724700000000, 0.0001717800000000 ] - [ 0.0027542100000000, -0.0000438100000000, -0.0001991600000000 ] - [ -0.0015370600000000, 0.0005992400000000, 0.0003282600000000 ] - [ 0.0194065300000000, -0.0009928300000000, 0.0001252700000000 ] - [ -0.0029020200000000, -0.0046143700000000, -0.0059170500000000 ] - [ -0.0006761200000000, -0.0003068600000000, 0.0008216800000000 ] - [ 0.0015895500000000, 0.0012178300000000, 0.0000181300000000 ] - [ -0.0058843900000000, 0.0013123900000000, 0.0034199900000000 ] - [ -0.0074824100000000, 0.0024421500000000, -0.0025713200000000 ] - [ -0.0010307500000000, 0.0011192600000000, 0.0002747700000000 ] - [ -0.0009069500000000, 0.0010765000000000, -0.0007620500000000 ] - [ 0.0299264700000000, 0.0096132700000000, -0.0022290000000000 ] - [ -0.0131021300000000, -0.0010540000000000, 0.0012433500000000 ] - [ -0.0011510900000000, 0.0002961400000000, -0.0003778200000000 ] - [ 0.0005956700000000, -0.0010450300000000, -0.0002155500000000 ] - [ 0.1199834000000000, -0.0601539000000000, 0.0191160900000000 ] - [ 0.0007153700000000, 0.0018334100000000, 0.0004330000000000 ] - [ -0.0015978600000000, 0.0007461500000000, -0.0001482600000000 ] - [ 0.0013689500000000, -0.0062924900000000, -0.0023530200000000 ] - [ -0.0001833900000000, -0.0001459400000000, 0.0051226500000000 ] - [ -0.0034338700000000, -0.0009963900000000, 0.0003055900000000 ] - [ -0.0013381500000000, 0.0014991100000000, 0.0003270200000000 ] - [ -0.0016440600000000, -0.0003732600000000, -0.0006911000000000 ] - [ 0.0115429700000000, 0.0022318500000000, 0.0044313300000000 ] - [ -0.0072927700000000, -0.0025160500000000, 0.0001794000000000 ] - [ -0.0011748200000000, -0.0013153600000000, -0.0007407100000000 ] - [ 0.0025034600000000, 0.0007235100000000, 0.0000641300000000 ]- atom: 17 displacement: [ -0.0099999882271062, 0.0000000000000000, -0.0000153446321733 ] forces: - [ -0.0013620000000000, 0.0002286800000000, -0.0002711800000000 ] - [ 0.0033515500000000, -0.0008900300000000, 0.0001151000000000 ] - [ 0.0029694900000000, 0.0000791800000000, 0.0010693600000000 ] - [ -0.0023197900000000, 0.0003645400000000, 0.0004290200000000 ] - [ -0.0008339400000000, -0.0060326400000000, 0.0075014600000000 ] - [ -0.0019237400000000, 0.0000129400000000, 0.0003392700000000 ] - [ -0.0006260700000000, 0.0001858900000000, -0.0003535200000000 ] - [ 0.0007182300000000, -0.0018371400000000, -0.0018126300000000 ] - [ -0.0026064400000000, -0.0084375300000000, -0.0078251000000000 ] - [ -0.0009039000000000, 0.0009881600000000, -0.0004359400000000 ] - [ -0.0002492400000000, -0.0007672200000000, -0.0000476600000000 ] - [ -0.0005734100000000, -0.0016797500000000, 0.0015126600000000 ] - [ -0.0017700200000000, 0.0005562700000000, 0.0001769400000000 ] - [ 0.0024233300000000, 0.0001427200000000, 0.0001043100000000 ] - [ 0.0051246600000000, -0.0007219600000000, -0.0007819700000000 ] - [ -0.0014484200000000, 0.0004840200000000, -0.0011162900000000 ] - [ 0.2326554300000000, -0.0791815100000000, 0.0278503400000000 ] - [ -0.0192932700000000, -0.0008810400000000, -0.0051703200000000 ] - [ 0.0010877100000000, 0.0017045600000000, 0.0004161400000000 ] - [ 0.0008000600000000, 0.0008876300000000, -0.0002428300000000 ] - [ -0.0079399400000000, -0.0055562000000000, 0.0112488400000000 ] - [ 0.0025261700000000, -0.0030243800000000, -0.0078183300000000 ] - [ 0.0013329200000000, -0.0007229800000000, 0.0003434700000000 ] - [ 0.0010391000000000, 0.0013080400000000, -0.0002045300000000 ] - [ 0.0001083300000000, 0.0019846100000000, 0.0021404400000000 ] - [ 0.0007728300000000, 0.0015470100000000, -0.0013782800000000 ] - [ -0.0062511200000000, 0.0159985300000000, 0.0112110700000000 ] - [ -0.0012090200000000, 0.0080308400000000, -0.0088255100000000 ] - [ 0.0014675800000000, 0.0009537300000000, 0.0004380600000000 ] - [ -0.0006258300000000, 0.0005853500000000, -0.0000762300000000 ] - [ -0.0057140800000000, 0.0065350000000000, 0.0117977200000000 ] - [ -0.0049667800000000, -0.0003943000000000, 0.0001104500000000 ] - [ -0.0009664800000000, -0.0002218300000000, -0.0002530600000000 ] - [ 0.0003613900000000, -0.0000905500000000, 0.0000594500000000 ] - [ -0.0003969700000000, -0.0011254700000000, -0.0000496000000000 ] - [ 0.0011191300000000, 0.0011391300000000, -0.0001917800000000 ] - [ 0.0015631400000000, 0.0003280200000000, 0.0002063700000000 ] - [ -0.0013511700000000, -0.0011060600000000, 0.0013584600000000 ] - [ -0.0014730900000000, -0.0005719800000000, -0.0000725900000000 ] - [ 0.0022939800000000, 0.0015963400000000, 0.0002628100000000 ] - [ 0.0012136800000000, 0.0005924100000000, -0.0017177200000000 ] - [ -0.0009073100000000, -0.0013761900000000, -0.0008723500000000 ] - [ -0.0137825600000000, 0.0073587100000000, -0.0171472800000000 ] - [ -0.0060641000000000, -0.0011070900000000, -0.0008207700000000 ] - [ -0.0016524900000000, 0.0002237100000000, -0.0000367800000000 ] - [ 0.0005349400000000, -0.0002802200000000, 0.0002295500000000 ] - [ -0.0016056600000000, 0.0000541500000000, 0.0000701900000000 ] - [ 0.0003830200000000, -0.0005150100000000, -0.0001624200000000 ] - [ -0.0030666400000000, -0.0006980700000000, -0.0012714200000000 ] - [ -0.0020277500000000, -0.0001346500000000, 0.0014762300000000 ] - [ -0.0012298500000000, -0.0015099200000000, -0.0001365000000000 ] - [ -0.0013976100000000, 0.0000157400000000, -0.0002620700000000 ] - [ -0.0007607300000000, 0.0002892200000000, -0.0001554200000000 ] - [ -0.0148363100000000, 0.0056846900000000, 0.0008045300000000 ] - [ -0.0011784000000000, 0.0011327900000000, -0.0010398400000000 ] - [ -0.0002305000000000, 0.0009733000000000, 0.0004114600000000 ] - [ -0.0001447600000000, 0.0012698400000000, -0.0000241900000000 ] - [ -0.0011565800000000, 0.0008650100000000, 0.0003212500000000 ] - [ -0.0017466000000000, 0.0000944600000000, -0.0001741800000000 ] - [ 0.0003351600000000, 0.0008902900000000, -0.0012593400000000 ] - [ 0.0028938800000000, -0.0006302600000000, -0.0003734100000000 ] - [ -0.0004132600000000, 0.0033102700000000, -0.0007483200000000 ] - [ -0.0012482100000000, 0.0020189900000000, 0.0067398600000000 ] - [ 0.0031691100000000, 0.0004768600000000, 0.0003114500000000 ] - [ -0.0010317600000000, -0.0057039400000000, 0.0013066300000000 ] - [ -0.0027070900000000, -0.0084044400000000, -0.0017954100000000 ] - [ -0.0023129200000000, 0.0011438200000000, 0.0041564700000000 ] - [ -0.0023231400000000, 0.0008506300000000, -0.0074046300000000 ] - [ 0.0010240400000000, 0.0001025000000000, 0.0004783700000000 ] - [ -0.0019414900000000, -0.0012015700000000, -0.0004696500000000 ] - [ -0.0023281600000000, 0.0006558700000000, -0.0000198900000000 ] - [ 0.0011050500000000, -0.0000055600000000, -0.0000456100000000 ] - [ -0.0193349600000000, 0.0001979800000000, -0.0007784300000000 ] - [ 0.0027821000000000, 0.0037661900000000, 0.0065432700000000 ] - [ 0.0005954400000000, 0.0011777300000000, -0.0002374100000000 ] - [ -0.0015170500000000, -0.0003554500000000, -0.0006068300000000 ] - [ 0.0058375900000000, -0.0018311800000000, -0.0032992400000000 ] - [ 0.0075090800000000, -0.0029605600000000, 0.0024566300000000 ] - [ 0.0010680500000000, -0.0005679400000000, -0.0003440900000000 ] - [ 0.0008791200000000, -0.0005249600000000, 0.0008340000000000 ] - [ -0.0275647100000000, -0.0094295700000000, 0.0020689200000000 ] - [ 0.0134852000000000, 0.0004280200000000, -0.0015288600000000 ] - [ 0.0015527800000000, 0.0002928600000000, 0.0001006000000000 ] - [ -0.0009964900000000, 0.0016230500000000, 0.0005031200000000 ] - [ -0.1263613800000000, 0.0649188300000000, -0.0208628500000000 ] - [ -0.0007195500000000, -0.0018584600000000, -0.0004291300000000 ] - [ 0.0025354100000000, 0.0000988800000000, 0.0006676400000000 ] - [ -0.0022978500000000, 0.0070900100000000, 0.0018177500000000 ] - [ -0.0007547800000000, -0.0007023300000000, -0.0055716100000000 ] - [ 0.0043701100000000, 0.0001377400000000, 0.0001869700000000 ] - [ 0.0013410300000000, -0.0014541500000000, -0.0003307900000000 ] - [ 0.0016499200000000, 0.0003344600000000, 0.0006938700000000 ] - [ -0.0104903600000000, -0.0014020000000000, -0.0040062800000000 ] - [ 0.0062862400000000, 0.0033758200000000, -0.0006998600000000 ] - [ 0.0002080400000000, 0.0004590200000000, 0.0002295000000000 ] - [ -0.0015382900000000, -0.0016489300000000, 0.0004599400000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0011528700000000, 0.0008486700000000, 0.0000517200000000 ] - [ 0.0009526900000000, 0.0023490300000000, 0.0001113600000000 ] - [ 0.0004899800000000, -0.0014086400000000, -0.0009432200000000 ] - [ -0.0000237000000000, -0.0009671800000000, 0.0000403900000000 ] - [ 0.0024041100000000, 0.0002967700000000, -0.0020065400000000 ] - [ -0.0005852100000000, -0.0004480200000000, 0.0002454500000000 ] - [ -0.0002460700000000, 0.0001224500000000, -0.0004534900000000 ] - [ 0.0000403500000000, -0.0001317900000000, 0.0010455000000000 ] - [ 0.0035905100000000, 0.0021907700000000, 0.0034445300000000 ] - [ 0.0003484200000000, 0.0003638700000000, -0.0002129500000000 ] - [ 0.0004928300000000, -0.0008297300000000, 0.0001667600000000 ] - [ -0.0005444300000000, -0.0002707700000000, -0.0007775300000000 ] - [ -0.0011252600000000, 0.0014438300000000, 0.0003173400000000 ] - [ 0.0011416700000000, 0.0019574500000000, 0.0001515300000000 ] - [ 0.0008557000000000, -0.0054598100000000, -0.0012811900000000 ] - [ -0.0002369500000000, -0.0008986000000000, -0.0004481300000000 ] - [ 0.0771909300000000, -0.1101031700000000, 0.0445039300000000 ] - [ -0.0005049000000000, -0.0043920900000000, -0.0002760700000000 ] - [ 0.0012869600000000, 0.0029711100000000, 0.0003499500000000 ] - [ 0.0003305800000000, 0.0016144900000000, -0.0003797600000000 ] - [ 0.0087290400000000, -0.0028171800000000, -0.0050065800000000 ] - [ 0.0027237500000000, -0.0030107600000000, 0.0057053600000000 ] - [ 0.0007283200000000, -0.0013977200000000, -0.0005914300000000 ] - [ 0.0005043900000000, 0.0022366000000000, 0.0001957900000000 ] - [ -0.0001720900000000, 0.0006325500000000, 0.0016516600000000 ] - [ 0.0006539700000000, 0.0010634600000000, -0.0019771500000000 ] - [ -0.0121486100000000, 0.0110153700000000, 0.0122494500000000 ] - [ -0.0087275700000000, 0.0086920000000000, -0.0129179400000000 ] - [ 0.0006084000000000, 0.0013761700000000, 0.0002570700000000 ] - [ -0.0002426400000000, 0.0010023200000000, -0.0005093700000000 ] - [ -0.0053435200000000, -0.0014419500000000, 0.0037544500000000 ] - [ 0.0005473900000000, -0.0006074800000000, 0.0006875700000000 ] - [ 0.0000100600000000, 0.0002875600000000, -0.0001082500000000 ] - [ -0.0012796600000000, 0.0017197000000000, -0.0006600300000000 ] - [ 0.0002743400000000, 0.0004565100000000, 0.0003071400000000 ] - [ -0.0008280800000000, 0.0071897700000000, -0.0003023700000000 ] - [ -0.0000125400000000, 0.0003611700000000, -0.0003270400000000 ] - [ 0.0007420500000000, 0.0007374900000000, -0.0005470900000000 ] - [ 0.0001139200000000, 0.0020417200000000, 0.0003060600000000 ] - [ 0.0002615000000000, 0.0031312400000000, 0.0017769600000000 ] - [ 0.0014529100000000, 0.0038529900000000, -0.0081816000000000 ] - [ -0.0004356900000000, -0.0004583800000000, -0.0001831100000000 ] - [ -0.0113505100000000, -0.0042044700000000, -0.0039118000000000 ] - [ -0.0003704900000000, -0.0007085800000000, -0.0003431900000000 ] - [ -0.0002641300000000, 0.0007130500000000, 0.0001024900000000 ] - [ -0.0000520200000000, 0.0007630800000000, -0.0002618200000000 ] - [ -0.0003989000000000, 0.0001412800000000, 0.0001387800000000 ] - [ -0.0001685200000000, 0.0005339300000000, 0.0001788900000000 ] - [ -0.0010300000000000, -0.0007702200000000, -0.0003362000000000 ] - [ 0.0000837300000000, -0.0006904000000000, 0.0001755100000000 ] - [ 0.0003720200000000, 0.0008475100000000, 0.0007550900000000 ] - [ -0.0003155700000000, 0.0002190000000000, -0.0004554300000000 ] - [ -0.0002540900000000, 0.0004020600000000, -0.0002359100000000 ] - [ 0.0028228400000000, -0.0027367600000000, 0.0005356800000000 ] - [ -0.0007734700000000, 0.0006760900000000, -0.0002032100000000 ] - [ 0.0002027000000000, 0.0005696400000000, -0.0003037200000000 ] - [ 0.0000099100000000, 0.0003680900000000, 0.0001630900000000 ] - [ -0.0006534700000000, -0.0000764100000000, 0.0001319600000000 ] - [ -0.0002472500000000, 0.0000391300000000, -0.0001883400000000 ] - [ -0.0005430800000000, -0.0001193800000000, -0.0004554500000000 ] - [ 0.0006211300000000, -0.0010053200000000, -0.0006211300000000 ] - [ -0.0006269100000000, -0.0022941200000000, 0.0008455100000000 ] - [ 0.0004397200000000, 0.0047399300000000, -0.0006878100000000 ] - [ 0.0004455800000000, 0.0010208900000000, 0.0002173100000000 ] - [ -0.0000371500000000, -0.0079252700000000, 0.0018407600000000 ] - [ -0.0007385700000000, -0.0091092900000000, -0.0026458400000000 ] - [ -0.0004470400000000, 0.0059025000000000, 0.0045856500000000 ] - [ -0.0009721500000000, 0.0073995200000000, -0.0041678400000000 ] - [ 0.0000546200000000, -0.0022187300000000, -0.0003667000000000 ] - [ -0.0002289200000000, -0.0057682600000000, -0.0015121500000000 ] - [ 0.0001076800000000, 0.0034048100000000, 0.0028020600000000 ] - [ -0.0004744400000000, 0.0009994200000000, 0.0009473200000000 ] - [ -0.0018421200000000, 0.0208116700000000, -0.0108714400000000 ] - [ -0.0021701100000000, 0.0005102200000000, 0.0003399600000000 ] - [ -0.0006394100000000, -0.0012035500000000, 0.0003099100000000 ] - [ -0.0003317300000000, -0.0019381700000000, -0.0007562100000000 ] - [ 0.0020992700000000, 0.0002544900000000, 0.0004438000000000 ] - [ 0.0032485000000000, -0.0004819700000000, -0.0008037400000000 ] - [ 0.0002563500000000, -0.0003763700000000, 0.0001111200000000 ] - [ 0.0009447600000000, -0.0007976200000000, 0.0000536200000000 ] - [ 0.0027138900000000, 0.0173899800000000, -0.0033212900000000 ] - [ 0.0006459800000000, 0.0004786200000000, -0.0004796700000000 ] - [ 0.0005638300000000, -0.0000620100000000, 0.0000644900000000 ] - [ -0.0003234400000000, -0.0007445000000000, 0.0008144000000000 ] - [ -0.0615378300000000, 0.0619842500000000, -0.0157715300000000 ] - [ -0.0002814100000000, -0.0018972200000000, 0.0004537400000000 ] - [ 0.0013136600000000, 0.0002212800000000, 0.0007525500000000 ] - [ -0.0009237300000000, -0.0026057000000000, -0.0024008600000000 ] - [ -0.0009078200000000, 0.0015020100000000, 0.0016686100000000 ] - [ 0.0010116900000000, 0.0006812100000000, -0.0005617800000000 ] - [ 0.0004786800000000, -0.0010045100000000, -0.0003851100000000 ] - [ 0.0007126900000000, 0.0002034800000000, 0.0006459100000000 ] - [ 0.0014358100000000, -0.0002232000000000, -0.0072140200000000 ] - [ -0.0042875900000000, -0.0013283000000000, -0.0003876100000000 ] - [ -0.0002240400000000, -0.0013547600000000, -0.0002686200000000 ] - [ -0.0000341200000000, -0.0064438800000000, 0.0016111200000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0008216300000000, -0.0008297100000000, 0.0000030900000000 ] - [ -0.0006243700000000, -0.0023334400000000, -0.0001649300000000 ] - [ -0.0001585700000000, 0.0013901100000000, 0.0008962300000000 ] - [ -0.0003107000000000, 0.0009471800000000, 0.0000153800000000 ] - [ -0.0022795400000000, -0.0005211700000000, 0.0023443500000000 ] - [ 0.0004767500000000, 0.0002279400000000, -0.0005981900000000 ] - [ 0.0001363500000000, 0.0000849200000000, 0.0001059300000000 ] - [ 0.0000692500000000, 0.0003430100000000, -0.0006999100000000 ] - [ -0.0047587100000000, -0.0009333200000000, -0.0034205900000000 ] - [ 0.0008530900000000, 0.0008876600000000, 0.0002057000000000 ] - [ 0.0007087800000000, -0.0004421200000000, -0.0001840300000000 ] - [ -0.0006563900000000, -0.0009995100000000, 0.0007939000000000 ] - [ 0.0012373400000000, -0.0018028400000000, -0.0003270900000000 ] - [ -0.0012579000000000, -0.0023199500000000, -0.0001481800000000 ] - [ -0.0009792200000000, 0.0058558100000000, 0.0012700600000000 ] - [ 0.0003524000000000, 0.0012545600000000, 0.0004464800000000 ] - [ -0.0746888300000000, 0.1093811500000000, -0.0447790700000000 ] - [ 0.0005660700000000, 0.0037202500000000, 0.0000008000000000 ] - [ -0.0016994500000000, -0.0025971000000000, -0.0009619100000000 ] - [ 0.0000600200000000, -0.0012259100000000, 0.0009938000000000 ] - [ -0.0083404200000000, 0.0024830000000000, 0.0056157100000000 ] - [ -0.0031303000000000, 0.0026705500000000, -0.0062944400000000 ] - [ -0.0007315400000000, 0.0016012800000000, 0.0005964900000000 ] - [ -0.0005107700000000, -0.0024412300000000, -0.0001974200000000 ] - [ -0.0007006900000000, 0.0001962900000000, -0.0014368500000000 ] - [ 0.0002186400000000, -0.0002354300000000, 0.0017626900000000 ] - [ 0.0128630400000000, -0.0117721400000000, -0.0123328900000000 ] - [ 0.0077681700000000, -0.0094618000000000, 0.0129898900000000 ] - [ -0.0006231300000000, -0.0007060800000000, 0.0000299400000000 ] - [ 0.0002593500000000, -0.0003335500000000, 0.0002267700000000 ] - [ 0.0050141200000000, 0.0015024100000000, -0.0036907100000000 ] - [ -0.0002165300000000, 0.0006307700000000, -0.0007518600000000 ] - [ 0.0003255400000000, -0.0003008500000000, 0.0000555700000000 ] - [ 0.0009545300000000, -0.0017438300000000, 0.0007212800000000 ] - [ -0.0001667100000000, -0.0006672300000000, 0.0000238600000000 ] - [ 0.0007262700000000, -0.0074526800000000, -0.0000204600000000 ] - [ -0.0000975500000000, -0.0001391200000000, -0.0000149300000000 ] - [ -0.0006319500000000, -0.0005138400000000, 0.0008821100000000 ] - [ -0.0013190300000000, -0.0007658000000000, -0.0002881100000000 ] - [ 0.0009442900000000, -0.0018674500000000, -0.0018168700000000 ] - [ -0.0002575300000000, -0.0051619900000000, 0.0082323300000000 ] - [ -0.0007655100000000, -0.0008117300000000, 0.0002078600000000 ] - [ 0.0115251000000000, 0.0039185700000000, 0.0039029700000000 ] - [ 0.0002607700000000, 0.0003496300000000, 0.0003630700000000 ] - [ 0.0001465900000000, -0.0003530600000000, -0.0000935500000000 ] - [ 0.0001732000000000, -0.0004027300000000, 0.0002539400000000 ] - [ 0.0003838500000000, -0.0008116000000000, 0.0001464800000000 ] - [ 0.0001963400000000, -0.0012008600000000, -0.0004661100000000 ] - [ 0.0006285800000000, 0.0011494500000000, -0.0002788600000000 ] - [ 0.0003204000000000, 0.0010702300000000, 0.0004431300000000 ] - [ 0.0000331300000000, -0.0012300500000000, -0.0001404500000000 ] - [ -0.0000936700000000, -0.0005964800000000, -0.0001596500000000 ] - [ 0.0002570900000000, -0.0001976900000000, 0.0002391900000000 ] - [ -0.0028442000000000, 0.0025731300000000, -0.0005436800000000 ] - [ -0.0000970200000000, 0.0001549500000000, 0.0004151100000000 ] - [ 0.0006709600000000, 0.0002674000000000, 0.0000912500000000 ] - [ 0.0008665700000000, -0.0011984300000000, -0.0003815000000000 ] - [ -0.0002183300000000, -0.0007440800000000, 0.0000778500000000 ] - [ 0.0002302200000000, 0.0006313600000000, 0.0004762300000000 ] - [ 0.0005700200000000, 0.0007861500000000, 0.0001741300000000 ] - [ -0.0005530300000000, 0.0001374200000000, 0.0000375300000000 ] - [ 0.0005571200000000, 0.0014229900000000, -0.0002595800000000 ] - [ -0.0004980900000000, -0.0038636700000000, 0.0012749300000000 ] - [ -0.0003789300000000, -0.0001428200000000, -0.0008094600000000 ] - [ 0.0000068600000000, 0.0073748300000000, -0.0017594500000000 ] - [ 0.0007840300000000, 0.0085664700000000, 0.0025708400000000 ] - [ 0.0004819000000000, -0.0053325900000000, -0.0046703400000000 ] - [ 0.0009293500000000, -0.0068376000000000, 0.0042534700000000 ] - [ -0.0004587800000000, 0.0016209800000000, 0.0006531800000000 ] - [ 0.0006334800000000, 0.0051943100000000, 0.0012493600000000 ] - [ 0.0002993100000000, -0.0028311700000000, -0.0030999300000000 ] - [ 0.0000662600000000, -0.0004017600000000, -0.0006707700000000 ] - [ 0.0019932100000000, -0.0222445400000000, 0.0112677200000000 ] - [ 0.0020979600000000, -0.0014053700000000, 0.0002219500000000 ] - [ 0.0005809000000000, 0.0020710000000000, 0.0002724000000000 ] - [ 0.0004003100000000, 0.0028127200000000, 0.0001748700000000 ] - [ -0.0021314900000000, -0.0008125700000000, -0.0003781700000000 ] - [ -0.0032255300000000, -0.0000683800000000, 0.0007448600000000 ] - [ -0.0002240700000000, 0.0009184000000000, -0.0001884300000000 ] - [ -0.0009874300000000, 0.0013459000000000, 0.0000240100000000 ] - [ -0.0031368600000000, -0.0181694200000000, 0.0036403700000000 ] - [ -0.0002544100000000, -0.0010559500000000, 0.0002073900000000 ] - [ -0.0001537800000000, 0.0006578500000000, -0.0003489200000000 ] - [ -0.0000905000000000, 0.0013429700000000, -0.0005375100000000 ] - [ 0.0591040800000000, -0.0614485000000000, 0.0152252400000000 ] - [ 0.0002852600000000, 0.0018647200000000, -0.0004591200000000 ] - [ -0.0003568700000000, 0.0006417400000000, -0.0002509700000000 ] - [ -0.0000417700000000, 0.0034682600000000, 0.0018875200000000 ] - [ -0.0000469000000000, -0.0023523100000000, -0.0021801100000000 ] - [ -0.0000569900000000, -0.0015353300000000, 0.0010767500000000 ] - [ -0.0004834500000000, 0.0010346100000000, 0.0003900700000000 ] - [ -0.0007165400000000, -0.0002410300000000, -0.0006492500000000 ] - [ -0.0004843100000000, 0.0010285400000000, 0.0077496900000000 ] - [ 0.0033347900000000, 0.0021771600000000, -0.0001184500000000 ] - [ -0.0007268200000000, 0.0004887700000000, -0.0002361900000000 ] - [ 0.0009918300000000, 0.0056103900000000, -0.0011168700000000 ]- atom: 17 displacement: [ -0.0005876189178017, 0.0000000000000000, 0.0099827202709202 ] forces: - [ 0.0005623400000000, -0.0006842100000000, -0.0004540900000000 ] - [ 0.0004543200000000, -0.0002083600000000, -0.0007824000000000 ] - [ -0.0005577400000000, 0.0004305100000000, 0.0029041300000000 ] - [ -0.0015368700000000, 0.0002684300000000, 0.0010381600000000 ] - [ -0.0024706300000000, -0.0024929600000000, 0.0018455900000000 ] - [ -0.0001515800000000, -0.0002988300000000, -0.0011566300000000 ] - [ 0.0000236600000000, -0.0003757700000000, 0.0004244700000000 ] - [ 0.0003116500000000, 0.0011926900000000, 0.0005317400000000 ] - [ 0.0008063300000000, 0.0006855100000000, -0.0025630500000000 ] - [ 0.0007091700000000, 0.0004132900000000, -0.0001046600000000 ] - [ 0.0005891400000000, -0.0001266100000000, 0.0002740100000000 ] - [ -0.0007161000000000, -0.0016480600000000, 0.0013927100000000 ] - [ -0.0005911800000000, -0.0000237000000000, -0.0005769000000000 ] - [ -0.0008367300000000, -0.0011608600000000, -0.0005763900000000 ] - [ 0.0007469900000000, 0.0034822800000000, 0.0093194600000000 ] - [ 0.0016474100000000, 0.0001951800000000, 0.0018370000000000 ] - [ -0.0131087200000000, 0.0407279200000000, -0.0969034100000000 ] - [ 0.0038857800000000, -0.0002273200000000, -0.0026033400000000 ] - [ -0.0011444300000000, -0.0008236100000000, -0.0000939700000000 ] - [ 0.0004211200000000, -0.0004723500000000, 0.0011119800000000 ] - [ -0.0133362500000000, -0.0031416200000000, 0.0057807900000000 ] - [ 0.0067880600000000, 0.0052947400000000, 0.0143965400000000 ] - [ -0.0010948100000000, 0.0005861400000000, 0.0039423400000000 ] - [ -0.0000563100000000, -0.0006683600000000, -0.0019012900000000 ] - [ -0.0006406900000000, 0.0018820200000000, 0.0016862600000000 ] - [ 0.0003631300000000, -0.0014059000000000, 0.0025270300000000 ] - [ -0.0048085600000000, 0.0070195900000000, -0.0016783700000000 ] - [ 0.0073340900000000, -0.0118831600000000, 0.0073878300000000 ] - [ -0.0002166900000000, 0.0002584400000000, 0.0012812400000000 ] - [ -0.0000996100000000, -0.0000163100000000, 0.0009000000000000 ] - [ -0.0096222500000000, 0.0049648300000000, 0.0057176100000000 ] - [ -0.0005886800000000, 0.0006928300000000, -0.0014722600000000 ] - [ 0.0004454100000000, 0.0002364300000000, 0.0004693800000000 ] - [ 0.0009946400000000, -0.0013555500000000, 0.0008437000000000 ] - [ 0.0003590000000000, 0.0008539600000000, -0.0004407100000000 ] - [ 0.0006528600000000, -0.0066706700000000, -0.0032942000000000 ] - [ -0.0006458200000000, 0.0006008600000000, 0.0033330700000000 ] - [ -0.0012413900000000, -0.0008092500000000, 0.0019210800000000 ] - [ -0.0013637500000000, -0.0009445800000000, -0.0010459000000000 ] - [ 0.0002655400000000, 0.0032099000000000, -0.0007160500000000 ] - [ -0.0001527900000000, -0.0051188800000000, 0.0089813500000000 ] - [ 0.0000542400000000, -0.0002312900000000, 0.0015215700000000 ] - [ 0.0151376400000000, -0.0006657900000000, 0.0015302000000000 ] - [ 0.0003714600000000, -0.0008503400000000, 0.0000560300000000 ] - [ -0.0002252100000000, -0.0001808000000000, 0.0003195300000000 ] - [ -0.0002030900000000, 0.0001424500000000, 0.0007831300000000 ] - [ -0.0000264700000000, -0.0003188600000000, -0.0005175100000000 ] - [ 0.0000545800000000, -0.0006702800000000, -0.0010539100000000 ] - [ 0.0010136700000000, 0.0005098500000000, -0.0001514000000000 ] - [ -0.0005000800000000, 0.0000496900000000, 0.0013754600000000 ] - [ 0.0005167100000000, -0.0001449500000000, 0.0000481900000000 ] - [ -0.0003323900000000, -0.0004714000000000, -0.0002661500000000 ] - [ 0.0001478100000000, 0.0000374100000000, 0.0008545900000000 ] - [ -0.0023287700000000, 0.0018323400000000, -0.0019531200000000 ] - [ -0.0000809000000000, 0.0001990800000000, 0.0007905500000000 ] - [ 0.0003377800000000, 0.0004788200000000, 0.0011497400000000 ] - [ 0.0007018400000000, -0.0011210100000000, -0.0009502200000000 ] - [ -0.0006571700000000, 0.0005092700000000, -0.0004002000000000 ] - [ 0.0002051900000000, 0.0006565700000000, 0.0012844700000000 ] - [ 0.0011471600000000, 0.0000560700000000, 0.0015320800000000 ] - [ 0.0002246800000000, -0.0003560700000000, 0.0001839500000000 ] - [ 0.0005952100000000, 0.0015782000000000, 0.0000654400000000 ] - [ -0.0042313400000000, -0.0026121200000000, -0.0015267500000000 ] - [ -0.0003650300000000, 0.0007739300000000, -0.0014902700000000 ] - [ -0.0003784200000000, 0.0055934500000000, -0.0003382500000000 ] - [ -0.0000248500000000, -0.0020773800000000, 0.0008423600000000 ] - [ -0.0006691900000000, 0.0017130800000000, -0.0081269000000000 ] - [ 0.0039781100000000, -0.0033814000000000, -0.0046186100000000 ] - [ -0.0002193100000000, 0.0001678500000000, 0.0025742000000000 ] - [ 0.0002236600000000, 0.0007547300000000, 0.0045647500000000 ] - [ 0.0004477600000000, -0.0006938600000000, -0.0084593600000000 ] - [ 0.0001519800000000, 0.0000703600000000, -0.0035354400000000 ] - [ 0.0009124600000000, -0.0192632400000000, 0.0300883600000000 ] - [ -0.0050981500000000, -0.0023206600000000, 0.0001442300000000 ] - [ 0.0009670600000000, 0.0014877000000000, -0.0002784500000000 ] - [ 0.0004697000000000, -0.0000770600000000, -0.0018839500000000 ] - [ 0.0029140400000000, -0.0012074000000000, -0.0003524300000000 ] - [ -0.0032488700000000, 0.0002850400000000, 0.0017852700000000 ] - [ 0.0000771300000000, 0.0001940800000000, -0.0007904100000000 ] - [ -0.0007887400000000, 0.0006818300000000, -0.0002935200000000 ] - [ 0.0002673700000000, -0.0040492900000000, 0.0144419200000000 ] - [ -0.0004672500000000, 0.0000598900000000, 0.0024391100000000 ] - [ 0.0001741800000000, 0.0003927000000000, -0.0015637200000000 ] - [ -0.0002286200000000, 0.0007796300000000, -0.0022261000000000 ] - [ 0.0087593500000000, -0.0097421000000000, 0.0222848400000000 ] - [ 0.0003443000000000, 0.0004616700000000, -0.0032978700000000 ] - [ 0.0001283300000000, 0.0007976600000000, -0.0000152200000000 ] - [ -0.0009158400000000, 0.0003949400000000, 0.0003534200000000 ] - [ 0.0008070100000000, 0.0004997200000000, -0.0036832100000000 ] - [ 0.0006859100000000, -0.0015372100000000, 0.0007195400000000 ] - [ 0.0000156400000000, 0.0000241500000000, 0.0018268400000000 ] - [ -0.0009535100000000, 0.0002565500000000, -0.0022156500000000 ] - [ 0.0036645000000000, -0.0093102000000000, -0.0073689800000000 ] - [ 0.0053098700000000, 0.0035040700000000, 0.0011700100000000 ] - [ -0.0011886200000000, -0.0007689500000000, -0.0006722700000000 ] - [ -0.0000536000000000, 0.0046702000000000, -0.0001837600000000 ]- atom: 17 displacement: [ 0.0005876189178017, 0.0000000000000000, -0.0099827202709202 ] forces: - [ -0.0008857700000000, 0.0007023600000000, 0.0005110700000000 ] - [ -0.0001367400000000, 0.0002153100000000, 0.0007232000000000 ] - [ 0.0008812700000000, -0.0004492400000000, -0.0029518600000000 ] - [ 0.0012056900000000, -0.0002846100000000, -0.0009833400000000 ] - [ 0.0025922700000000, 0.0022907000000000, -0.0014926200000000 ] - [ 0.0000475700000000, 0.0000862600000000, 0.0007940400000000 ] - [ -0.0001308300000000, 0.0005841700000000, -0.0007763600000000 ] - [ -0.0002008800000000, -0.0009771200000000, -0.0001916400000000 ] - [ -0.0020253100000000, 0.0005463400000000, 0.0025307100000000 ] - [ 0.0004951300000000, 0.0008402300000000, 0.0001014700000000 ] - [ 0.0006126100000000, -0.0011348600000000, -0.0002894800000000 ] - [ -0.0004835400000000, 0.0003888000000000, -0.0013802200000000 ] - [ 0.0007148700000000, -0.0003490400000000, 0.0005654900000000 ] - [ 0.0007132100000000, 0.0007913300000000, 0.0005820000000000 ] - [ -0.0008573400000000, -0.0030676900000000, -0.0091742900000000 ] - [ -0.0015348200000000, 0.0001723000000000, -0.0018373500000000 ] - [ 0.0126328200000000, -0.0394760800000000, 0.0953330700000000 ] - [ -0.0038112100000000, -0.0004391700000000, 0.0023362500000000 ] - [ 0.0007241800000000, 0.0011799200000000, -0.0005268600000000 ] - [ -0.0000135000000000, 0.0008444400000000, -0.0004936600000000 ] - [ 0.0135897200000000, 0.0027342500000000, -0.0051336700000000 ] - [ -0.0073426500000000, -0.0057453700000000, -0.0152043700000000 ] - [ 0.0010810100000000, -0.0003738600000000, -0.0039359000000000 ] - [ 0.0000524100000000, 0.0004533700000000, 0.0019008400000000 ] - [ -0.0002334800000000, -0.0010577100000000, -0.0014927400000000 ] - [ 0.0005073700000000, 0.0022303400000000, -0.0027267500000000 ] - [ 0.0056951200000000, -0.0078629200000000, 0.0013931800000000 ] - [ -0.0082449100000000, 0.0111047100000000, -0.0071702900000000 ] - [ 0.0002049100000000, 0.0004136300000000, -0.0009945600000000 ] - [ 0.0001127900000000, 0.0006875200000000, -0.0011832400000000 ] - [ 0.0093801000000000, -0.0049852300000000, -0.0056684000000000 ] - [ 0.0009069300000000, -0.0006603100000000, 0.0013992900000000 ] - [ -0.0001217900000000, -0.0002614000000000, -0.0005267800000000 ] - [ -0.0013101800000000, 0.0013191500000000, -0.0007830400000000 ] - [ -0.0002508900000000, -0.0010624600000000, 0.0007956800000000 ] - [ -0.0007562500000000, 0.0063725700000000, 0.0029021000000000 ] - [ 0.0005385400000000, -0.0003973900000000, -0.0036702000000000 ] - [ 0.0013419200000000, 0.0010139500000000, -0.0015657500000000 ] - [ 0.0001596800000000, 0.0021971000000000, 0.0010505900000000 ] - [ 0.0009338100000000, -0.0019425500000000, 0.0007049500000000 ] - [ 0.0013406200000000, 0.0038133700000000, -0.0089009200000000 ] - [ -0.0012583600000000, -0.0010303800000000, -0.0015060700000000 ] - [ -0.0148549200000000, 0.0003253800000000, -0.0015336900000000 ] - [ -0.0004813600000000, 0.0004937500000000, -0.0000351200000000 ] - [ 0.0001084800000000, 0.0005395300000000, -0.0003129900000000 ] - [ 0.0003219200000000, 0.0002190900000000, -0.0007899700000000 ] - [ 0.0000145300000000, -0.0003562400000000, 0.0008014900000000 ] - [ -0.0000385800000000, -0.0000058900000000, 0.0007667600000000 ] - [ -0.0014128100000000, -0.0001277700000000, -0.0004667600000000 ] - [ 0.0009123800000000, 0.0003244200000000, -0.0007555700000000 ] - [ -0.0001061700000000, -0.0002393700000000, 0.0005633300000000 ] - [ -0.0000747500000000, 0.0000935400000000, -0.0003482700000000 ] - [ -0.0001448300000000, 0.0001647200000000, -0.0008525600000000 ] - [ 0.0023000100000000, -0.0020030300000000, 0.0019407800000000 ] - [ -0.0007874300000000, 0.0006253600000000, -0.0005816300000000 ] - [ 0.0005360100000000, 0.0003467100000000, -0.0013522500000000 ] - [ 0.0001734400000000, 0.0002887900000000, 0.0007358900000000 ] - [ -0.0002133900000000, -0.0013316200000000, 0.0006058800000000 ] - [ -0.0002136900000000, 0.0000210300000000, -0.0009945600000000 ] - [ -0.0011208600000000, 0.0006185500000000, -0.0018130300000000 ] - [ -0.0001458200000000, -0.0005172500000000, -0.0007654700000000 ] - [ -0.0006746300000000, -0.0024534500000000, 0.0005151600000000 ] - [ 0.0041177400000000, 0.0034539600000000, 0.0021291800000000 ] - [ 0.0004449200000000, 0.0001042000000000, 0.0008932100000000 ] - [ 0.0003573300000000, -0.0061089800000000, 0.0004169000000000 ] - [ 0.0000562800000000, 0.0015865200000000, -0.0009118300000000 ] - [ 0.0007032700000000, -0.0011929400000000, 0.0080115200000000 ] - [ -0.0039602800000000, 0.0038824600000000, 0.0047384300000000 ] - [ -0.0001714700000000, -0.0007512200000000, -0.0022898600000000 ] - [ 0.0001703500000000, -0.0013220300000000, -0.0048220000000000 ] - [ -0.0000570600000000, 0.0012769000000000, 0.0081307600000000 ] - [ -0.0005352200000000, 0.0005165800000000, 0.0038106800000000 ] - [ -0.0006669100000000, 0.0169064400000000, -0.0291306000000000 ] - [ 0.0050336500000000, 0.0014208000000000, 0.0003985100000000 ] - [ -0.0010406300000000, -0.0006015300000000, 0.0008647400000000 ] - [ -0.0003846600000000, 0.0009613000000000, 0.0012890300000000 ] - [ -0.0029418400000000, 0.0006446400000000, 0.0004271700000000 ] - [ 0.0032474100000000, -0.0008347200000000, -0.0018574700000000 ] - [ -0.0000553000000000, 0.0003584500000000, 0.0007009000000000 ] - [ 0.0007560500000000, -0.0001247800000000, 0.0003823500000000 ] - [ -0.0006550900000000, 0.0033854500000000, -0.0140468700000000 ] - [ 0.0008302700000000, -0.0006419800000000, -0.0027098400000000 ] - [ 0.0002143300000000, 0.0001975200000000, 0.0012805700000000 ] - [ -0.0001629300000000, -0.0001848500000000, 0.0025025800000000 ] - [ -0.0084124600000000, 0.0095372000000000, -0.0219480300000000 ] - [ -0.0003417700000000, -0.0004879500000000, 0.0032947900000000 ] - [ 0.0008257400000000, 0.0000730600000000, 0.0005193900000000 ] - [ -0.0000423000000000, 0.0004987100000000, -0.0008402100000000 ] - [ -0.0017723000000000, -0.0013634600000000, 0.0031652200000000 ] - [ 0.0002671800000000, 0.0006624600000000, -0.0002007200000000 ] - [ -0.0000188100000000, 0.0000135700000000, -0.0018234300000000 ] - [ 0.0009440000000000, -0.0002891600000000, 0.0022077700000000 ] - [ -0.0027115300000000, 0.0101726500000000, 0.0078498700000000 ] - [ -0.0062456100000000, -0.0026348200000000, -0.0016586200000000 ] - [ 0.0002306500000000, -0.0000879300000000, 0.0001565900000000 ] - [ 0.0010133700000000, -0.0054774500000000, 0.0006783000000000 ]- atom: 19 displacement: [ 0.0099999882271062, 0.0000000000000000, 0.0000153446321733 ] forces: - [ -0.0004538300000000, 0.0006120600000000, 0.0008671600000000 ] - [ 0.0067315500000000, -0.0085924300000000, -0.0086775900000000 ] - [ -0.0002994500000000, 0.0006594000000000, 0.0007115900000000 ] - [ -0.0006256000000000, -0.0003158000000000, -0.0000535300000000 ] - [ 0.0002591900000000, -0.0002274500000000, 0.0000823200000000 ] - [ 0.0005297300000000, 0.0016060600000000, 0.0002635500000000 ] - [ 0.0006519000000000, 0.0010752400000000, -0.0012635700000000 ] - [ 0.0011375800000000, -0.0016381400000000, 0.0004543400000000 ] - [ 0.0006258900000000, -0.0010501400000000, -0.0002895000000000 ] - [ 0.0009619100000000, 0.0008421700000000, 0.0000617800000000 ] - [ 0.0016418300000000, 0.0013490000000000, 0.0000953100000000 ] - [ -0.0002181000000000, -0.0017116300000000, 0.0010425500000000 ] - [ 0.0128392600000000, 0.0113917000000000, 0.0133304700000000 ] - [ -0.0011750300000000, -0.0010205700000000, -0.0008057400000000 ] - [ -0.0014641900000000, 0.0030068400000000, 0.0003195600000000 ] - [ -0.0003201000000000, -0.0002293300000000, -0.0005134400000000 ] - [ -0.0013053600000000, 0.0011655400000000, -0.0008664000000000 ] - [ -0.0005767500000000, -0.0004584800000000, 0.0000483100000000 ] - [ -0.2614127100000000, -0.0904280000000000, 0.0048814100000000 ] - [ -0.0019501400000000, 0.0001372500000000, -0.0004721000000000 ] - [ -0.0036575100000000, -0.0010066100000000, 0.0004642900000000 ] - [ -0.0015016400000000, 0.0003133500000000, -0.0004607400000000 ] - [ -0.0023328300000000, 0.0005162600000000, -0.0001347100000000 ] - [ -0.0047845300000000, -0.0007926400000000, 0.0010399900000000 ] - [ -0.0044529800000000, 0.0041531700000000, -0.0004842100000000 ] - [ -0.0011599700000000, 0.0012080600000000, -0.0013020300000000 ] - [ -0.0000168600000000, 0.0020346800000000, 0.0003794400000000 ] - [ -0.0010430600000000, -0.0000855600000000, 0.0000209900000000 ] - [ -0.0027436200000000, -0.0025961500000000, 0.0070538000000000 ] - [ 0.0081244300000000, 0.0087982300000000, -0.0130436400000000 ] - [ 0.0004154100000000, 0.0002364200000000, -0.0001396300000000 ] - [ 0.0021946400000000, -0.0016139900000000, 0.0006803100000000 ] - [ 0.0017613300000000, -0.0006135100000000, -0.0011234000000000 ] - [ 0.0211495000000000, -0.0002335900000000, 0.0036533800000000 ] - [ -0.0002936800000000, -0.0008939100000000, 0.0015242900000000 ] - [ 0.0060692700000000, 0.0103733900000000, -0.0123684200000000 ] - [ -0.0003786900000000, 0.0003809600000000, 0.0006612700000000 ] - [ 0.0009173300000000, -0.0088186800000000, -0.0018517000000000 ] - [ 0.0019380800000000, -0.0054360000000000, 0.0073466000000000 ] - [ 0.0000796800000000, 0.0011445400000000, -0.0018874900000000 ] - [ 0.0018204600000000, 0.0127218700000000, 0.0041185500000000 ] - [ -0.0008287500000000, -0.0010467600000000, -0.0006613100000000 ] - [ 0.0022193400000000, 0.0007077500000000, -0.0002124800000000 ] - [ 0.0006426000000000, -0.0000159700000000, 0.0001813600000000 ] - [ 0.0192839100000000, 0.0059275800000000, -0.0013537000000000 ] - [ 0.0010920400000000, 0.0004638000000000, 0.0008376100000000 ] - [ 0.0028547500000000, -0.0011629400000000, 0.0015211000000000 ] - [ 0.0022344800000000, -0.0002109100000000, -0.0007166400000000 ] - [ 0.0018494000000000, 0.0007568100000000, -0.0003253100000000 ] - [ 0.0012131300000000, 0.0000219300000000, 0.0004103500000000 ] - [ 0.0058427300000000, -0.0005113000000000, 0.0000097500000000 ] - [ 0.0012614600000000, -0.0003520500000000, -0.0001820600000000 ] - [ 0.0058482700000000, -0.0010252400000000, 0.0008796000000000 ] - [ 0.0015133800000000, -0.0000616600000000, 0.0000149000000000 ] - [ 0.0012148500000000, 0.0006980200000000, 0.0000914900000000 ] - [ 0.0010762500000000, 0.0003642200000000, 0.0001426900000000 ] - [ 0.0023937700000000, -0.0005858100000000, -0.0004217200000000 ] - [ 0.0003919800000000, -0.0005957900000000, 0.0002419000000000 ] - [ 0.0011888400000000, 0.0004468700000000, 0.0000882600000000 ] - [ 0.0014261400000000, 0.0005025200000000, 0.0002518300000000 ] - [ -0.0073428200000000, -0.0036165300000000, -0.0020619300000000 ] - [ -0.0011928200000000, -0.0003692600000000, 0.0004470000000000 ] - [ -0.0016716000000000, 0.0009860200000000, 0.0000033200000000 ] - [ -0.0009015300000000, -0.0003205000000000, -0.0001664600000000 ] - [ 0.0022003100000000, -0.0003621700000000, 0.0003516400000000 ] - [ 0.0194040000000000, -0.0009192400000000, 0.0000873500000000 ] - [ 0.0014435000000000, -0.0006102500000000, 0.0001990800000000 ] - [ 0.0027940600000000, -0.0014411100000000, 0.0003851800000000 ] - [ 0.0007785900000000, -0.0007586700000000, -0.0071052100000000 ] - [ 0.0021559100000000, 0.0030787900000000, 0.0080992100000000 ] - [ 0.0011725500000000, -0.0043399900000000, -0.0048291600000000 ] - [ 0.0002350200000000, 0.0031608000000000, 0.0031580300000000 ] - [ 0.0028932500000000, -0.0091859600000000, 0.0012017500000000 ] - [ 0.0007335100000000, 0.0006064100000000, 0.0002368800000000 ] - [ 0.0313719000000000, -0.0119764200000000, -0.0003512800000000 ] - [ 0.0018296800000000, 0.0004774900000000, -0.0013763800000000 ] - [ -0.0013725400000000, -0.0002361600000000, -0.0000870800000000 ] - [ -0.0035135900000000, -0.0005198000000000, 0.0000007800000000 ] - [ -0.0023573900000000, 0.0003611800000000, -0.0005111200000000 ] - [ -0.0152393000000000, 0.0014675700000000, 0.0011022000000000 ] - [ -0.0009659500000000, -0.0000074700000000, 0.0012711700000000 ] - [ -0.0005962600000000, -0.0006568200000000, -0.0014093800000000 ] - [ -0.0061208200000000, -0.0014579100000000, 0.0035675800000000 ] - [ -0.0027399800000000, 0.0046886600000000, -0.0061790200000000 ] - [ 0.0023690500000000, -0.0009858400000000, -0.0006997300000000 ] - [ 0.0121080200000000, -0.0040464500000000, 0.0058210200000000 ] - [ -0.0009381700000000, 0.0004165800000000, 0.0004819300000000 ] - [ -0.0074327800000000, 0.0041318800000000, -0.0006814200000000 ] - [ -0.0011266600000000, 0.0002467600000000, -0.0004455400000000 ] - [ -0.0010585000000000, -0.0022093800000000, 0.0003861400000000 ] - [ -0.0039228800000000, 0.0006857300000000, -0.0001882700000000 ] - [ -0.0023167500000000, -0.0001941800000000, -0.0004327800000000 ] - [ 0.0012190500000000, -0.0011584100000000, 0.0004629900000000 ] - [ 0.0007069600000000, 0.0079680100000000, -0.0018287600000000 ] - [ 0.0002680900000000, -0.0001507300000000, 0.0008565800000000 ] - [ 0.1467260000000000, 0.0769627100000000, -0.0039273800000000 ]- atom: 19 displacement: [ -0.0099999882271062, 0.0000000000000000, -0.0000153446321733 ] forces: - [ 0.0001288800000000, -0.0006018900000000, -0.0008173300000000 ] - [ -0.0063918300000000, 0.0085257600000000, 0.0085089900000000 ] - [ 0.0006393800000000, -0.0006725700000000, -0.0007645800000000 ] - [ 0.0003122700000000, 0.0003087600000000, 0.0001041200000000 ] - [ -0.0001522500000000, 0.0000058200000000, 0.0002503100000000 ] - [ -0.0006366700000000, -0.0018394300000000, -0.0006120800000000 ] - [ -0.0007655500000000, -0.0008695800000000, 0.0009422200000000 ] - [ -0.0010393300000000, 0.0018398900000000, -0.0001135500000000 ] - [ -0.0018348100000000, 0.0023124000000000, 0.0003053900000000 ] - [ 0.0002381100000000, 0.0004360400000000, -0.0000808000000000 ] - [ -0.0004432000000000, -0.0026485700000000, -0.0001169200000000 ] - [ -0.0009896600000000, 0.0004266700000000, -0.0010180800000000 ] - [ -0.0128360200000000, -0.0119635300000000, -0.0135860000000000 ] - [ 0.0010439300000000, 0.0006624000000000, 0.0008164500000000 ] - [ 0.0013313600000000, -0.0026505000000000, -0.0003119300000000 ] - [ 0.0004482300000000, 0.0005950100000000, 0.0005117600000000 ] - [ 0.0012732900000000, -0.0018272600000000, 0.0011582700000000 ] - [ 0.0006090300000000, -0.0001984900000000, -0.0003234500000000 ] - [ 0.2567817000000000, 0.0843403000000000, -0.0054863400000000 ] - [ 0.0023828100000000, 0.0002344800000000, 0.0010960100000000 ] - [ 0.0040929100000000, 0.0006553500000000, 0.0001524900000000 ] - [ 0.0010899600000000, -0.0006862600000000, -0.0001543800000000 ] - [ 0.0023483600000000, -0.0003002000000000, 0.0001269900000000 ] - [ 0.0048089400000000, 0.0005843300000000, -0.0009539500000000 ] - [ 0.0036370300000000, -0.0031819700000000, 0.0006419500000000 ] - [ 0.0020479600000000, -0.0003772600000000, 0.0010814300000000 ] - [ 0.0008967400000000, -0.0027173800000000, -0.0005554500000000 ] - [ 0.0001704500000000, -0.0007393200000000, 0.0002026500000000 ] - [ 0.0026510200000000, 0.0032752800000000, -0.0068304700000000 ] - [ -0.0081417300000000, -0.0082472400000000, 0.0129536900000000 ] - [ -0.0007427000000000, -0.0002116900000000, 0.0001976000000000 ] - [ -0.0018723000000000, 0.0016480800000000, -0.0007437000000000 ] - [ -0.0014447300000000, 0.0005950700000000, 0.0010803000000000 ] - [ -0.0211161700000000, 0.0002109600000000, -0.0034984500000000 ] - [ 0.0004088400000000, 0.0006847600000000, -0.0011762600000000 ] - [ -0.0061884600000000, -0.0104729700000000, 0.0118811500000000 ] - [ 0.0002664600000000, -0.0001756400000000, -0.0010229400000000 ] - [ -0.0007900600000000, 0.0091684000000000, 0.0022168000000000 ] - [ -0.0031097200000000, 0.0067691600000000, -0.0074307500000000 ] - [ 0.0011169100000000, 0.0001088200000000, 0.0018766900000000 ] - [ -0.0006657700000000, -0.0139241500000000, -0.0041267600000000 ] - [ -0.0003646400000000, -0.0002111700000000, 0.0006842500000000 ] - [ -0.0021224700000000, -0.0010702700000000, 0.0002047300000000 ] - [ -0.0007586900000000, -0.0003445900000000, -0.0001719100000000 ] - [ -0.0196276100000000, -0.0056820000000000, 0.0013740400000000 ] - [ -0.0009987400000000, -0.0001078100000000, -0.0008439900000000 ] - [ -0.0028742100000000, 0.0004968300000000, -0.0012509400000000 ] - [ -0.0022334600000000, -0.0004583600000000, 0.0004294700000000 ] - [ -0.0022611300000000, -0.0003735300000000, -0.0002903800000000 ] - [ -0.0008315900000000, 0.0003709100000000, 0.0002060100000000 ] - [ -0.0054665100000000, 0.0001092400000000, 0.0005907900000000 ] - [ -0.0016665800000000, -0.0000356900000000, -0.0004323500000000 ] - [ -0.0058663100000000, 0.0012187500000000, -0.0008480200000000 ] - [ -0.0015222000000000, -0.0001376300000000, -0.0000186600000000 ] - [ -0.0020947500000000, 0.0001584800000000, 0.0001250700000000 ] - [ -0.0002080000000000, 0.0004737700000000, -0.0003539600000000 ] - [ -0.0015305400000000, -0.0002350900000000, 0.0001915500000000 ] - [ -0.0012693000000000, -0.0002309000000000, -0.0000332500000000 ] - [ -0.0012075600000000, 0.0002294200000000, 0.0002009800000000 ] - [ -0.0014249900000000, 0.0001695500000000, -0.0005375700000000 ] - [ 0.0074203500000000, 0.0027863700000000, 0.0015098400000000 ] - [ 0.0011447800000000, -0.0005031100000000, 0.0001376100000000 ] - [ 0.0016303900000000, -0.0001092400000000, 0.0005819800000000 ] - [ 0.0009680200000000, 0.0011980200000000, -0.0004224600000000 ] - [ -0.0022455200000000, -0.0001847200000000, -0.0002994300000000 ] - [ -0.0194428000000000, 0.0003594900000000, -0.0001028600000000 ] - [ -0.0014199300000000, 0.0011434000000000, -0.0002758500000000 ] - [ -0.0028514800000000, 0.0019261600000000, -0.0002926100000000 ] - [ -0.0012502100000000, 0.0001791800000000, 0.0074197000000000 ] - [ -0.0017045300000000, -0.0036752700000000, -0.0084148400000000 ] - [ -0.0007605400000000, 0.0049566000000000, 0.0045785500000000 ] - [ -0.0006593500000000, -0.0025988000000000, -0.0029088100000000 ] - [ -0.0028210500000000, 0.0083414100000000, -0.0018079000000000 ] - [ -0.0008083400000000, -0.0014861400000000, 0.0003403300000000 ] - [ -0.0344678600000000, 0.0137337000000000, 0.0012048400000000 ] - [ -0.0017609500000000, 0.0004090000000000, 0.0008169500000000 ] - [ 0.0013428200000000, -0.0003161000000000, 0.0001684700000000 ] - [ 0.0035678800000000, -0.0000433800000000, -0.0000704400000000 ] - [ 0.0024079600000000, 0.0001787300000000, 0.0004166400000000 ] - [ 0.0152371500000000, -0.0009505900000000, -0.0010096200000000 ] - [ 0.0005748900000000, -0.0005885800000000, -0.0009925800000000 ] - [ 0.0009938600000000, 0.0000602800000000, 0.0011405500000000 ] - [ 0.0065420400000000, 0.0020902900000000, -0.0038940900000000 ] - [ 0.0023900800000000, -0.0040571200000000, 0.0064162300000000 ] - [ -0.0023699400000000, 0.0009841100000000, 0.0006496500000000 ] - [ -0.0122566500000000, 0.0039589900000000, -0.0056643500000000 ] - [ 0.0018911800000000, 0.0004370600000000, 0.0000146800000000 ] - [ 0.0065205600000000, -0.0032566000000000, 0.0001911200000000 ] - [ 0.0001830900000000, -0.0011034900000000, -0.0000653200000000 ] - [ 0.0020056800000000, 0.0013665200000000, 0.0001261900000000 ] - [ 0.0039411500000000, -0.0006496900000000, 0.0002049000000000 ] - [ 0.0023312100000000, 0.0001434400000000, 0.0004187400000000 ] - [ -0.0002625600000000, 0.0020222700000000, 0.0000499600000000 ] - [ -0.0017041900000000, -0.0071682700000000, 0.0013506200000000 ] - [ -0.0012448900000000, -0.0007024900000000, -0.0013747000000000 ] - [ -0.1382966000000000, -0.0723032000000000, 0.0042513900000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004233900000000, -0.0001285300000000, 0.0002934200000000 ] - [ -0.0102512000000000, 0.0005137700000000, 0.0060113700000000 ] - [ 0.0001107800000000, 0.0013761400000000, 0.0011749000000000 ] - [ 0.0005317800000000, 0.0013868800000000, -0.0002310000000000 ] - [ 0.0000380200000000, 0.0004242000000000, 0.0003300800000000 ] - [ 0.0004446100000000, 0.0008000100000000, -0.0001091200000000 ] - [ 0.0001792700000000, 0.0003195800000000, -0.0002317200000000 ] - [ -0.0008769000000000, 0.0007588500000000, -0.0004394400000000 ] - [ -0.0012383500000000, 0.0025684100000000, 0.0000270200000000 ] - [ 0.0007690400000000, 0.0010370700000000, 0.0000621000000000 ] - [ 0.0009924300000000, -0.0003799100000000, -0.0002495100000000 ] - [ -0.0006801400000000, -0.0003834300000000, -0.0000814900000000 ] - [ 0.0132742300000000, -0.0023279300000000, 0.0042629600000000 ] - [ -0.0008307400000000, -0.0008790200000000, -0.0001275400000000 ] - [ -0.0015796300000000, 0.0048165900000000, -0.0002622300000000 ] - [ 0.0001985200000000, 0.0006043100000000, 0.0003896400000000 ] - [ -0.0015064800000000, 0.0024436500000000, -0.0009499200000000 ] - [ 0.0006989100000000, 0.0010807100000000, 0.0005516800000000 ] - [ -0.0889507000000000, -0.1345338300000000, -0.0160416500000000 ] - [ 0.0002607100000000, -0.0007006500000000, 0.0004702500000000 ] - [ -0.0006262700000000, 0.0037768800000000, 0.0004204200000000 ] - [ -0.0007073200000000, 0.0003325700000000, -0.0002300900000000 ] - [ -0.0012611200000000, 0.0025808500000000, -0.0003030200000000 ] - [ -0.0004000900000000, -0.0039373400000000, 0.0050137500000000 ] - [ 0.0030152900000000, 0.0186128400000000, -0.0069296400000000 ] - [ 0.0005298600000000, 0.0010288100000000, -0.0018015200000000 ] - [ 0.0010492500000000, 0.0131408800000000, 0.0024552600000000 ] - [ -0.0007174800000000, 0.0004242300000000, 0.0011313400000000 ] - [ -0.0028328600000000, -0.0024767500000000, -0.0055723800000000 ] - [ 0.0053519500000000, -0.0022865200000000, -0.0027798500000000 ] - [ -0.0000048000000000, 0.0003227600000000, 0.0002397000000000 ] - [ -0.0003151600000000, 0.0012681200000000, -0.0005750500000000 ] - [ 0.0005570700000000, -0.0004624400000000, -0.0002060300000000 ] - [ 0.0022051900000000, -0.0042924400000000, 0.0006015300000000 ] - [ 0.0001020700000000, -0.0008849000000000, 0.0002972000000000 ] - [ 0.0088254100000000, 0.0027615200000000, -0.0116444900000000 ] - [ -0.0001478500000000, -0.0004800600000000, 0.0018244200000000 ] - [ -0.0025913200000000, 0.0022630300000000, 0.0005512100000000 ] - [ -0.0055526500000000, 0.0007808200000000, -0.0047166500000000 ] - [ 0.0003773900000000, -0.0004932800000000, -0.0006952900000000 ] - [ 0.0116709200000000, 0.0188175900000000, 0.0053501600000000 ] - [ -0.0007982600000000, -0.0008302700000000, 0.0007587300000000 ] - [ 0.0016717000000000, 0.0016512100000000, -0.0004860900000000 ] - [ 0.0002147400000000, 0.0000023800000000, 0.0001160300000000 ] - [ -0.0035728600000000, -0.0022862000000000, -0.0000354500000000 ] - [ -0.0004498600000000, -0.0002560100000000, -0.0000434300000000 ] - [ 0.0008803800000000, -0.0012951000000000, 0.0005165800000000 ] - [ -0.0003172300000000, -0.0012130900000000, -0.0000250400000000 ] - [ 0.0003610500000000, 0.0009274800000000, -0.0003310200000000 ] - [ 0.0003769000000000, 0.0004280600000000, 0.0005110100000000 ] - [ -0.0001036800000000, -0.0012087200000000, -0.0003845000000000 ] - [ -0.0000448500000000, -0.0003147100000000, -0.0001744200000000 ] - [ 0.0003579400000000, -0.0005609400000000, 0.0006495300000000 ] - [ 0.0002430300000000, 0.0003126300000000, -0.0003288700000000 ] - [ -0.0001046700000000, 0.0003885400000000, 0.0002010100000000 ] - [ 0.0006535400000000, 0.0001129300000000, 0.0003331000000000 ] - [ 0.0009382600000000, -0.0010180200000000, -0.0006187300000000 ] - [ -0.0003628600000000, -0.0008699300000000, 0.0001349800000000 ] - [ 0.0001988700000000, 0.0007442600000000, 0.0004406300000000 ] - [ 0.0013324400000000, 0.0013731800000000, -0.0000189600000000 ] - [ -0.0035258600000000, -0.0001953900000000, 0.0005491500000000 ] - [ 0.0003513300000000, -0.0005920000000000, 0.0000706700000000 ] - [ -0.0005276400000000, -0.0021899400000000, 0.0008374400000000 ] - [ -0.0002231500000000, -0.0002117800000000, -0.0005701800000000 ] - [ 0.0001192500000000, -0.0001132300000000, -0.0012115700000000 ] - [ -0.0013860900000000, 0.0177226500000000, 0.0104880500000000 ] - [ 0.0005117600000000, -0.0018669600000000, -0.0002908100000000 ] - [ 0.0008253200000000, -0.0090199500000000, 0.0009312700000000 ] - [ -0.0012790400000000, 0.0048159200000000, 0.0001834700000000 ] - [ 0.0017205100000000, 0.0079571200000000, 0.0018093000000000 ] - [ 0.0003765800000000, -0.0070235000000000, -0.0070820400000000 ] - [ 0.0002096100000000, -0.0016656900000000, -0.0012511900000000 ] - [ 0.0000828700000000, -0.0099313900000000, 0.0048236800000000 ] - [ 0.0001409600000000, -0.0007929900000000, -0.0001306400000000 ] - [ -0.0031811000000000, 0.0166496200000000, 0.0019614100000000 ] - [ 0.0001371800000000, 0.0033050400000000, -0.0000548000000000 ] - [ -0.0004059700000000, -0.0002703700000000, -0.0000145500000000 ] - [ -0.0006798100000000, -0.0007815600000000, 0.0002805200000000 ] - [ -0.0001518400000000, 0.0009027600000000, -0.0003831600000000 ] - [ -0.0011621900000000, 0.0014010500000000, 0.0002942800000000 ] - [ -0.0000187100000000, -0.0018393400000000, 0.0002259200000000 ] - [ -0.0005559600000000, -0.0014233300000000, -0.0000102200000000 ] - [ -0.0017331000000000, 0.0009688300000000, -0.0004674900000000 ] - [ 0.0017751800000000, 0.0017562100000000, -0.0003760500000000 ] - [ 0.0014954100000000, -0.0046387000000000, -0.0041037000000000 ] - [ -0.0026343300000000, 0.0010655900000000, 0.0124979300000000 ] - [ -0.0001113800000000, 0.0002017500000000, 0.0000550900000000 ] - [ 0.0042208200000000, -0.0011375500000000, 0.0020550800000000 ] - [ -0.0008269000000000, -0.0012905100000000, -0.0005615400000000 ] - [ -0.0004056900000000, -0.0018277300000000, 0.0004175300000000 ] - [ -0.0004450500000000, 0.0014311300000000, 0.0006100100000000 ] - [ -0.0010330100000000, -0.0001068900000000, -0.0008399900000000 ] - [ 0.0009078000000000, -0.0001495300000000, -0.0004299900000000 ] - [ 0.0010537300000000, -0.0036826900000000, 0.0011253300000000 ] - [ -0.0005643000000000, 0.0007934700000000, -0.0004908600000000 ] - [ 0.0749131800000000, 0.0660981800000000, 0.0005567600000000 ]- atom: 19 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007584200000000, 0.0001477200000000, -0.0002440800000000 ] - [ 0.0106427200000000, -0.0004429500000000, -0.0060981800000000 ] - [ 0.0002224200000000, -0.0013908400000000, -0.0012251700000000 ] - [ -0.0008784400000000, -0.0014078600000000, 0.0002868600000000 ] - [ 0.0000759100000000, -0.0006326300000000, 0.0000178600000000 ] - [ -0.0005620000000000, -0.0010088200000000, -0.0002391600000000 ] - [ -0.0002912300000000, -0.0000987800000000, -0.0001219400000000 ] - [ 0.0009906800000000, -0.0005341900000000, 0.0007998600000000 ] - [ 0.0000422000000000, -0.0012970400000000, -0.0000081800000000 ] - [ 0.0004277200000000, 0.0002378000000000, -0.0000839400000000 ] - [ 0.0002034000000000, -0.0008803200000000, 0.0002379300000000 ] - [ -0.0005186000000000, -0.0008705800000000, 0.0000888500000000 ] - [ -0.0132871200000000, 0.0020327100000000, -0.0043017400000000 ] - [ 0.0007171100000000, 0.0005206700000000, 0.0001289100000000 ] - [ 0.0014788100000000, -0.0044621000000000, 0.0002687000000000 ] - [ -0.0000834100000000, -0.0002428000000000, -0.0003970900000000 ] - [ 0.0015098900000000, -0.0031313900000000, 0.0012331700000000 ] - [ -0.0006967700000000, -0.0017677500000000, -0.0008491100000000 ] - [ 0.0857089100000000, 0.1359945900000000, 0.0167987500000000 ] - [ 0.0001577600000000, 0.0010775600000000, 0.0001376900000000 ] - [ 0.0010318900000000, -0.0041756600000000, 0.0001895200000000 ] - [ 0.0003024600000000, -0.0007174000000000, -0.0003881100000000 ] - [ 0.0012583700000000, -0.0023862900000000, 0.0003144000000000 ] - [ 0.0004111300000000, 0.0037921500000000, -0.0050358700000000 ] - [ -0.0039454600000000, -0.0180976900000000, 0.0072682200000000 ] - [ 0.0003427500000000, -0.0001837600000000, 0.0015951700000000 ] - [ -0.0001880400000000, -0.0141031400000000, -0.0026690800000000 ] - [ -0.0001525900000000, -0.0012494900000000, -0.0009365300000000 ] - [ 0.0028162400000000, 0.0032074100000000, 0.0058139100000000 ] - [ -0.0053294300000000, 0.0030218500000000, 0.0024786300000000 ] - [ -0.0003181300000000, -0.0003026100000000, -0.0001837800000000 ] - [ 0.0006328700000000, -0.0012499700000000, 0.0005159100000000 ] - [ -0.0002424200000000, 0.0004335800000000, 0.0001403800000000 ] - [ -0.0025925500000000, 0.0042629500000000, -0.0005492500000000 ] - [ 0.0000084200000000, 0.0006760000000000, 0.0000588100000000 ] - [ -0.0088817800000000, -0.0030015600000000, 0.0112195700000000 ] - [ 0.0000368800000000, 0.0006793900000000, -0.0021731800000000 ] - [ 0.0026766100000000, -0.0020480200000000, -0.0001995500000000 ] - [ 0.0043355000000000, 0.0004573300000000, 0.0047156200000000 ] - [ 0.0008222600000000, 0.0017608500000000, 0.0006768100000000 ] - [ -0.0103143200000000, -0.0198580900000000, -0.0052828400000000 ] - [ -0.0004000900000000, -0.0004380600000000, -0.0007426200000000 ] - [ -0.0015481000000000, -0.0020173500000000, 0.0004770700000000 ] - [ -0.0003379600000000, -0.0003651800000000, -0.0001087700000000 ] - [ 0.0034995300000000, 0.0026998800000000, 0.0000473500000000 ] - [ 0.0005666600000000, 0.0006166100000000, 0.0000253800000000 ] - [ -0.0009013800000000, 0.0006210700000000, -0.0002305400000000 ] - [ 0.0003334300000000, 0.0005390600000000, -0.0002622800000000 ] - [ -0.0007690000000000, -0.0005472600000000, -0.0002856000000000 ] - [ 0.0000296500000000, -0.0000455200000000, 0.0001061700000000 ] - [ 0.0005114100000000, 0.0008402800000000, 0.0010120900000000 ] - [ -0.0003598400000000, -0.0000662700000000, -0.0004455600000000 ] - [ -0.0003678600000000, 0.0007648000000000, -0.0006655100000000 ] - [ -0.0002441700000000, -0.0005162400000000, 0.0003286600000000 ] - [ -0.0007693800000000, 0.0004235600000000, 0.0000036500000000 ] - [ 0.0002183700000000, 0.0007112900000000, -0.0005452200000000 ] - [ -0.0000696800000000, 0.0001839800000000, 0.0004154600000000 ] - [ -0.0005093000000000, 0.0000424000000000, 0.0000702900000000 ] - [ -0.0002135700000000, -0.0000670000000000, -0.0001539700000000 ] - [ -0.0013095300000000, -0.0006976300000000, -0.0002666700000000 ] - [ 0.0036270200000000, -0.0006944400000000, -0.0011558800000000 ] - [ -0.0004247800000000, -0.0002894300000000, 0.0005236400000000 ] - [ 0.0004466300000000, 0.0030617100000000, -0.0002520900000000 ] - [ 0.0002993500000000, 0.0010838200000000, -0.0000147100000000 ] - [ -0.0001536000000000, -0.0004426400000000, 0.0013133000000000 ] - [ 0.0012697700000000, -0.0196795600000000, -0.0118363300000000 ] - [ -0.0004794800000000, 0.0024121000000000, 0.0002008300000000 ] - [ -0.0008559200000000, 0.0096140000000000, -0.0008595800000000 ] - [ 0.0008795800000000, -0.0054227300000000, 0.0000906100000000 ] - [ -0.0013241300000000, -0.0085715500000000, -0.0021061400000000 ] - [ 0.0000085900000000, 0.0076135300000000, 0.0067924600000000 ] - [ -0.0005978000000000, 0.0022612400000000, 0.0015198000000000 ] - [ -0.0000301200000000, 0.0090807500000000, -0.0053881100000000 ] - [ -0.0002133200000000, -0.0000784100000000, 0.0007213700000000 ] - [ 0.0031354200000000, -0.0160392800000000, -0.0014001200000000 ] - [ -0.0000670200000000, -0.0024070300000000, -0.0005103600000000 ] - [ 0.0003764600000000, -0.0002713400000000, 0.0001018100000000 ] - [ 0.0007165200000000, 0.0002475000000000, -0.0003678600000000 ] - [ 0.0001877100000000, -0.0003504300000000, 0.0003100600000000 ] - [ 0.0011552400000000, -0.0008397500000000, -0.0002214800000000 ] - [ -0.0003853700000000, 0.0012471200000000, 0.0000512400000000 ] - [ 0.0009616400000000, 0.0008317800000000, -0.0002624200000000 ] - [ 0.0021255800000000, -0.0003916200000000, 0.0002030900000000 ] - [ -0.0021572800000000, -0.0011983800000000, 0.0006766800000000 ] - [ -0.0015051700000000, 0.0047101300000000, 0.0041473000000000 ] - [ 0.0026258000000000, -0.0012199800000000, -0.0125131000000000 ] - [ 0.0010730600000000, 0.0006574300000000, 0.0004537200000000 ] - [ -0.0051867100000000, 0.0019872000000000, -0.0025754200000000 ] - [ -0.0001368700000000, 0.0004232800000000, 0.0000586900000000 ] - [ 0.0013770700000000, 0.0009623100000000, 0.0000899800000000 ] - [ 0.0004490100000000, -0.0014005000000000, -0.0006152800000000 ] - [ 0.0010312900000000, 0.0000818100000000, 0.0008430900000000 ] - [ 0.0000492400000000, 0.0010098600000000, 0.0009352100000000 ] - [ -0.0019898300000000, 0.0045573000000000, -0.0016151300000000 ] - [ -0.0003949200000000, -0.0016329200000000, -0.0000064900000000 ] - [ -0.0710640200000000, -0.0663561000000000, -0.0001105300000000 ]- atom: 19 displacement: [ -0.0005876189178017, 0.0000000000000000, 0.0099827202709202 ] forces: - [ 0.0005661500000000, 0.0003062400000000, 0.0013312800000000 ] - [ -0.0099212300000000, 0.0050559500000000, 0.0026479800000000 ] - [ 0.0002896500000000, 0.0001055400000000, 0.0004529200000000 ] - [ -0.0002004800000000, 0.0001493200000000, -0.0004899600000000 ] - [ -0.0000633100000000, -0.0002743300000000, 0.0009711700000000 ] - [ 0.0002127200000000, 0.0001177400000000, -0.0005588900000000 ] - [ -0.0002738800000000, -0.0004188000000000, 0.0007909700000000 ] - [ 0.0000050400000000, -0.0003180400000000, -0.0017636400000000 ] - [ -0.0014696800000000, 0.0021896000000000, -0.0003770700000000 ] - [ 0.0007096700000000, 0.0005628400000000, 0.0005172200000000 ] - [ 0.0003462200000000, -0.0014220500000000, -0.0013020700000000 ] - [ -0.0001510800000000, -0.0015210300000000, 0.0009864800000000 ] - [ 0.0104835700000000, 0.0011499000000000, -0.0003882500000000 ] - [ -0.0006874500000000, -0.0002729800000000, 0.0029084500000000 ] - [ -0.0000088900000000, 0.0007937200000000, -0.0013399900000000 ] - [ -0.0000528200000000, 0.0001126200000000, 0.0004455900000000 ] - [ -0.0006493000000000, 0.0002239500000000, 0.0003793700000000 ] - [ 0.0005891500000000, 0.0003536800000000, 0.0006823300000000 ] - [ 0.0205822500000000, -0.0103304400000000, -0.0645086300000000 ] - [ -0.0004633500000000, 0.0000318000000000, 0.0024110200000000 ] - [ 0.0005898900000000, -0.0000317200000000, -0.0008823800000000 ] - [ -0.0002799400000000, -0.0002995000000000, 0.0003547700000000 ] - [ -0.0001856700000000, 0.0005732000000000, -0.0001949500000000 ] - [ 0.0010891800000000, 0.0009527400000000, 0.0073564800000000 ] - [ -0.0009322900000000, -0.0055459800000000, -0.0043856400000000 ] - [ 0.0000405400000000, -0.0013438900000000, 0.0022725300000000 ] - [ 0.0010053900000000, 0.0086474800000000, 0.0016190700000000 ] - [ -0.0005045800000000, -0.0002722200000000, 0.0016090400000000 ] - [ 0.0077291800000000, -0.0055252400000000, 0.0150948100000000 ] - [ -0.0113948600000000, -0.0054871400000000, 0.0054528100000000 ] - [ -0.0002392400000000, 0.0000571200000000, 0.0007025400000000 ] - [ 0.0004588500000000, -0.0003243600000000, -0.0004925600000000 ] - [ -0.0002138500000000, 0.0003817800000000, 0.0010834900000000 ] - [ 0.0030759800000000, 0.0001322200000000, -0.0027565800000000 ] - [ 0.0000623000000000, -0.0004880100000000, 0.0016717900000000 ] - [ -0.0083664200000000, -0.0093698500000000, 0.0031967800000000 ] - [ 0.0000801000000000, 0.0008372000000000, 0.0010721700000000 ] - [ -0.0009798300000000, 0.0021990500000000, -0.0012266900000000 ] - [ 0.0032637800000000, -0.0020575400000000, -0.0006277700000000 ] - [ 0.0005274100000000, 0.0000261000000000, 0.0029953700000000 ] - [ 0.0050557000000000, 0.0067060300000000, -0.0031491300000000 ] - [ -0.0008753200000000, -0.0001928200000000, 0.0008568300000000 ] - [ -0.0004600200000000, -0.0005728000000000, -0.0005767200000000 ] - [ 0.0000128400000000, -0.0002170200000000, 0.0004337000000000 ] - [ -0.0026755800000000, -0.0013599400000000, -0.0008117400000000 ] - [ 0.0013451500000000, 0.0003674300000000, 0.0014628200000000 ] - [ 0.0007896500000000, -0.0003159400000000, 0.0002772200000000 ] - [ -0.0012947900000000, -0.0002072200000000, 0.0008904800000000 ] - [ -0.0003361400000000, 0.0001364600000000, -0.0007252000000000 ] - [ 0.0002362500000000, 0.0000025200000000, 0.0006169700000000 ] - [ -0.0004178100000000, -0.0008668800000000, -0.0007498700000000 ] - [ -0.0001665400000000, -0.0003149800000000, 0.0003548800000000 ] - [ -0.0000569400000000, 0.0008608700000000, 0.0001937500000000 ] - [ -0.0001624000000000, 0.0000601800000000, 0.0002062000000000 ] - [ -0.0004413100000000, 0.0007256400000000, -0.0002635800000000 ] - [ 0.0004637200000000, 0.0006899900000000, 0.0001271200000000 ] - [ 0.0000887700000000, -0.0004929500000000, -0.0007263000000000 ] - [ -0.0005270000000000, -0.0005978500000000, 0.0008420500000000 ] - [ -0.0001263000000000, 0.0004777500000000, 0.0001819000000000 ] - [ 0.0003698600000000, 0.0007718800000000, -0.0003969600000000 ] - [ -0.0019044200000000, -0.0003406300000000, 0.0016463400000000 ] - [ 0.0002054900000000, -0.0004625600000000, -0.0018386200000000 ] - [ -0.0001873200000000, 0.0000941000000000, 0.0016594700000000 ] - [ 0.0001146800000000, 0.0007083500000000, -0.0008307000000000 ] - [ 0.0002007900000000, -0.0008063400000000, -0.0047588700000000 ] - [ -0.0021920300000000, 0.0072671600000000, 0.0196481900000000 ] - [ 0.0000900300000000, 0.0010357500000000, -0.0012660400000000 ] - [ -0.0000001700000000, 0.0006425100000000, 0.0032228800000000 ] - [ -0.0035071200000000, 0.0007432100000000, -0.0026633600000000 ] - [ 0.0032135700000000, -0.0004706600000000, -0.0073730900000000 ] - [ -0.0001980300000000, -0.0021081600000000, -0.0015842900000000 ] - [ 0.0001764300000000, -0.0007030800000000, -0.0002725600000000 ] - [ -0.0004691800000000, 0.0025580700000000, 0.0045311000000000 ] - [ -0.0000280800000000, -0.0005595800000000, -0.0009786200000000 ] - [ -0.0004620700000000, 0.0031511700000000, 0.0105356600000000 ] - [ -0.0003620800000000, -0.0022270500000000, -0.0064811100000000 ] - [ 0.0000547300000000, -0.0002360300000000, -0.0006310000000000 ] - [ 0.0003920100000000, -0.0002847500000000, 0.0006147300000000 ] - [ -0.0002367400000000, -0.0001622800000000, -0.0011612000000000 ] - [ 0.0000151300000000, -0.0000364700000000, 0.0017950400000000 ] - [ 0.0003936000000000, -0.0005506600000000, -0.0008784900000000 ] - [ -0.0002188800000000, -0.0002979800000000, -0.0005491900000000 ] - [ 0.0036059600000000, 0.0012857600000000, -0.0003219500000000 ] - [ -0.0048910700000000, 0.0021401600000000, 0.0009537600000000 ] - [ 0.0002329300000000, -0.0017245000000000, -0.0032482500000000 ] - [ 0.0031464300000000, 0.0134255700000000, -0.0068071000000000 ] - [ 0.0000465300000000, 0.0002613700000000, -0.0010487400000000 ] - [ 0.0039943000000000, -0.0012203500000000, 0.0040400600000000 ] - [ -0.0006300300000000, 0.0000944200000000, -0.0011938800000000 ] - [ 0.0005693900000000, -0.0001201800000000, 0.0013032800000000 ] - [ 0.0004708300000000, 0.0007600900000000, -0.0004062200000000 ] - [ -0.0001075600000000, -0.0001934800000000, 0.0000673000000000 ] - [ 0.0005930000000000, 0.0007333500000000, -0.0016721600000000 ] - [ -0.0010500900000000, 0.0013909800000000, 0.0029800700000000 ] - [ 0.0001061800000000, -0.0013371000000000, -0.0027354300000000 ] - [ -0.0166677900000000, -0.0077672200000000, 0.0189472500000000 ]- atom: 19 displacement: [ 0.0005876189178017, 0.0000000000000000, -0.0099827202709202 ] forces: - [ -0.0009042500000000, -0.0002857200000000, -0.0012767900000000 ] - [ 0.0103497500000000, -0.0050867000000000, -0.0026986000000000 ] - [ 0.0000382200000000, -0.0001308800000000, -0.0005136300000000 ] - [ -0.0001418300000000, -0.0001639200000000, 0.0005405600000000 ] - [ 0.0001728100000000, 0.0000561400000000, -0.0006251000000000 ] - [ -0.0003238100000000, -0.0003340400000000, 0.0002203500000000 ] - [ 0.0001635200000000, 0.0006309500000000, -0.0011417700000000 ] - [ 0.0001046800000000, 0.0005358200000000, 0.0021076700000000 ] - [ 0.0002735600000000, -0.0009298400000000, 0.0003976600000000 ] - [ 0.0004900000000000, 0.0007004700000000, -0.0005320100000000 ] - [ 0.0008544200000000, 0.0001428100000000, 0.0012804600000000 ] - [ -0.0010458700000000, 0.0002534100000000, -0.0009708600000000 ] - [ -0.0104186300000000, -0.0014927500000000, 0.0004030300000000 ] - [ 0.0005782700000000, -0.0000859000000000, -0.0028938000000000 ] - [ -0.0001070500000000, -0.0004470200000000, 0.0013514000000000 ] - [ 0.0001696100000000, 0.0002461800000000, -0.0004564200000000 ] - [ 0.0006429500000000, -0.0009066500000000, -0.0000875100000000 ] - [ -0.0005798900000000, -0.0010308000000000, -0.0009694800000000 ] - [ -0.0203995200000000, 0.0121712800000000, 0.0639071900000000 ] - [ 0.0008579700000000, 0.0003556300000000, -0.0017945700000000 ] - [ -0.0001775400000000, -0.0003567600000000, 0.0015014300000000 ] - [ -0.0001197400000000, -0.0000844000000000, -0.0009703500000000 ] - [ 0.0001910900000000, -0.0003742500000000, 0.0001926000000000 ] - [ -0.0011031700000000, -0.0011795500000000, -0.0074748700000000 ] - [ 0.0000699400000000, 0.0063715400000000, 0.0045826500000000 ] - [ 0.0008289900000000, 0.0021638700000000, -0.0024854300000000 ] - [ -0.0001363300000000, -0.0095512300000000, -0.0018608100000000 ] - [ -0.0003671600000000, -0.0005664300000000, -0.0013997000000000 ] - [ -0.0075770800000000, 0.0061077000000000, -0.0145729700000000 ] - [ 0.0112868100000000, 0.0061172900000000, -0.0057132000000000 ] - [ -0.0000940900000000, -0.0000392600000000, -0.0006498900000000 ] - [ -0.0001385100000000, 0.0003461300000000, 0.0004370300000000 ] - [ 0.0005393200000000, -0.0004005000000000, -0.0011397200000000 ] - [ -0.0034330900000000, -0.0001470100000000, 0.0028050200000000 ] - [ 0.0000446500000000, 0.0002763500000000, -0.0013256900000000 ] - [ 0.0083284500000000, 0.0092510800000000, -0.0035419800000000 ] - [ -0.0001867800000000, -0.0006137200000000, -0.0014284500000000 ] - [ 0.0010922900000000, -0.0019914900000000, 0.0015685900000000 ] - [ -0.0044675900000000, 0.0033254800000000, 0.0006699600000000 ] - [ 0.0006756600000000, 0.0012548500000000, -0.0030076300000000 ] - [ -0.0038765100000000, -0.0080135400000000, 0.0030941300000000 ] - [ -0.0003277100000000, -0.0010720000000000, -0.0008405400000000 ] - [ 0.0005749600000000, 0.0002083400000000, 0.0005735900000000 ] - [ -0.0001329600000000, -0.0001420000000000, -0.0004242300000000 ] - [ 0.0026003600000000, 0.0017461700000000, 0.0008201500000000 ] - [ -0.0012107300000000, -0.0000028300000000, -0.0014692500000000 ] - [ -0.0008061300000000, -0.0003545800000000, 0.0000128300000000 ] - [ 0.0013164400000000, -0.0004592800000000, -0.0011717000000000 ] - [ -0.0000595900000000, 0.0002487200000000, 0.0001105600000000 ] - [ 0.0001661200000000, 0.0003792800000000, -0.0000012900000000 ] - [ 0.0008233000000000, 0.0004918400000000, 0.0013752300000000 ] - [ -0.0002406500000000, -0.0000633500000000, -0.0009709300000000 ] - [ 0.0000540700000000, -0.0006481900000000, -0.0002057300000000 ] - [ 0.0001629000000000, -0.0002651600000000, -0.0002026300000000 ] - [ -0.0004334700000000, 0.0000971000000000, 0.0004715300000000 ] - [ 0.0004090400000000, 0.0001458100000000, -0.0003456000000000 ] - [ 0.0007824000000000, -0.0003360200000000, 0.0005230900000000 ] - [ -0.0003446100000000, -0.0002259500000000, -0.0006331800000000 ] - [ 0.0001092700000000, 0.0001921200000000, 0.0001007600000000 ] - [ -0.0003568000000000, -0.0001064700000000, 0.0001107700000000 ] - [ 0.0019765900000000, -0.0005419200000000, -0.0022392900000000 ] - [ -0.0002775500000000, -0.0004065600000000, 0.0024190300000000 ] - [ 0.0001246400000000, 0.0007864700000000, -0.0010797800000000 ] - [ -0.0000468100000000, 0.0001681000000000, 0.0002503500000000 ] - [ -0.0002359600000000, 0.0002695500000000, 0.0048594200000000 ] - [ 0.0021411500000000, -0.0085976000000000, -0.0200608500000000 ] - [ -0.0000549900000000, -0.0004789500000000, 0.0011972800000000 ] - [ -0.0000377100000000, -0.0000798000000000, -0.0031575800000000 ] - [ 0.0031281300000000, -0.0013616700000000, 0.0029270400000000 ] - [ -0.0028436100000000, -0.0001542200000000, 0.0070911200000000 ] - [ 0.0006043400000000, 0.0027277100000000, 0.0013431500000000 ] - [ -0.0005868100000000, 0.0012981500000000, 0.0005642500000000 ] - [ 0.0005376700000000, -0.0034009900000000, -0.0051430100000000 ] - [ -0.0000366100000000, -0.0003137500000000, 0.0015634800000000 ] - [ 0.0004529800000000, -0.0023436000000000, -0.0100052400000000 ] - [ 0.0004249300000000, 0.0030799400000000, 0.0058775400000000 ] - [ -0.0000894500000000, -0.0003121100000000, 0.0007091000000000 ] - [ -0.0003534500000000, -0.0002581900000000, -0.0006942100000000 ] - [ 0.0002691400000000, 0.0007043200000000, 0.0010915800000000 ] - [ -0.0000379800000000, 0.0005875700000000, -0.0017199700000000 ] - [ -0.0008073700000000, -0.0000387800000000, 0.0011585400000000 ] - [ 0.0006321900000000, -0.0002941100000000, 0.0002661100000000 ] - [ -0.0031899700000000, -0.0007001700000000, 0.0000575500000000 ] - [ 0.0044560000000000, -0.0015581000000000, -0.0006360800000000 ] - [ -0.0002364800000000, 0.0017766300000000, 0.0032578900000000 ] - [ -0.0031161300000000, -0.0134275700000000, 0.0068206700000000 ] - [ 0.0009153400000000, 0.0005996800000000, 0.0015601900000000 ] - [ -0.0049597300000000, 0.0020745800000000, -0.0045663100000000 ] - [ -0.0003225600000000, -0.0009503000000000, 0.0006897000000000 ] - [ 0.0003837000000000, -0.0007373400000000, -0.0007948200000000 ] - [ -0.0004711900000000, -0.0007301000000000, 0.0003989400000000 ] - [ 0.0001114400000000, 0.0001599000000000, -0.0000572900000000 ] - [ 0.0003595900000000, 0.0001220700000000, 0.0021829600000000 ] - [ 0.0000841100000000, -0.0005128100000000, -0.0034907800000000 ] - [ -0.0010533400000000, 0.0004727800000000, 0.0022295500000000 ] - [ 0.0169150500000000, 0.0064430200000000, -0.0182322400000000 ]- atom: 23 displacement: [ 0.0099999882271062, 0.0000000000000000, 0.0000153446321733 ] forces: - [ -0.0006156600000000, 0.0000641100000000, -0.0001106300000000 ] - [ -0.0003017500000000, -0.0000518300000000, -0.0001656700000000 ] - [ 0.0140155700000000, 0.0083502700000000, 0.0161999900000000 ] - [ 0.0136136000000000, -0.0082558700000000, 0.0160513200000000 ] - [ 0.0013119900000000, 0.0011937400000000, 0.0019437900000000 ] - [ 0.0012051900000000, -0.0013945400000000, 0.0015810600000000 ] - [ 0.0005079100000000, -0.0013435500000000, -0.0003696200000000 ] - [ 0.0006087200000000, 0.0015612800000000, -0.0000228400000000 ] - [ 0.0001327800000000, 0.0014268100000000, -0.0006142200000000 ] - [ 0.0013386200000000, -0.0001545100000000, -0.0006240900000000 ] - [ 0.0019491900000000, -0.0028143900000000, 0.0000317300000000 ] - [ 0.0007442300000000, 0.0015581800000000, 0.0000442200000000 ] - [ -0.0008087400000000, 0.0003209800000000, 0.0001878300000000 ] - [ -0.0009445400000000, -0.0006936700000000, 0.0001973200000000 ] - [ 0.0101786000000000, 0.0042805000000000, -0.0198176200000000 ] - [ 0.0103087400000000, -0.0038410100000000, -0.0196077400000000 ] - [ -0.0013468600000000, 0.0004022800000000, -0.0010254000000000 ] - [ -0.0012990900000000, -0.0010548800000000, -0.0012967900000000 ] - [ -0.0025443600000000, -0.0010849300000000, -0.0006363200000000 ] - [ -0.0021298000000000, 0.0014332900000000, -0.0000163800000000 ] - [ -0.0045906800000000, -0.0005613800000000, 0.0011598300000000 ] - [ -0.0050066500000000, 0.0002372000000000, 0.0004943400000000 ] - [ -0.1553689600000000, 0.0013424800000000, 0.0039209100000000 ] - [ -0.0013667900000000, -0.0001119800000000, -0.0002132500000000 ] - [ -0.0023817500000000, 0.0008076400000000, -0.0001026700000000 ] - [ -0.0015031600000000, -0.0000783400000000, -0.0003305400000000 ] - [ -0.0003818900000000, -0.0005091400000000, -0.0001605000000000 ] - [ -0.0012446300000000, -0.0003637400000000, -0.0000320000000000 ] - [ -0.0010507600000000, -0.0001834500000000, 0.0000207400000000 ] - [ -0.0010153000000000, 0.0008295200000000, -0.0002570600000000 ] - [ 0.0013302200000000, -0.0004679300000000, 0.0017088700000000 ] - [ 0.0016720500000000, 0.0004863300000000, 0.0016442500000000 ] - [ 0.0016699700000000, 0.0011390700000000, -0.0000838200000000 ] - [ 0.0013400400000000, -0.0011707300000000, -0.0000290700000000 ] - [ 0.0001568900000000, 0.0017777400000000, -0.0017683600000000 ] - [ 0.0000472700000000, -0.0020013900000000, -0.0021308500000000 ] - [ -0.0006409100000000, -0.0071086600000000, 0.0081394300000000 ] - [ -0.0004947400000000, 0.0072659800000000, 0.0083905600000000 ] - [ -0.0012709000000000, 0.0016684100000000, 0.0015624600000000 ] - [ -0.0000771100000000, -0.0003974800000000, 0.0015575800000000 ] - [ -0.0002332300000000, -0.0092774100000000, -0.0084590100000000 ] - [ -0.0013939300000000, 0.0079287100000000, -0.0083408400000000 ] - [ 0.0030567400000000, -0.0010206900000000, -0.0014704000000000 ] - [ 0.0029488200000000, 0.0006605800000000, -0.0014524700000000 ] - [ 0.0010857400000000, 0.0000958500000000, 0.0002087700000000 ] - [ 0.0011969600000000, 0.0002565900000000, 0.0002006200000000 ] - [ 0.0007562600000000, -0.0005934600000000, 0.0003359200000000 ] - [ 0.0007645000000000, -0.0000808000000000, 0.0000498700000000 ] - [ 0.0056503000000000, 0.0005552500000000, -0.0000255100000000 ] - [ 0.0060630900000000, -0.0001706400000000, 0.0006038400000000 ] - [ 0.0017226900000000, 0.0000520300000000, 0.0002332300000000 ] - [ 0.0013187300000000, -0.0004374800000000, -0.0003790600000000 ] - [ 0.0017291800000000, 0.0000982700000000, 0.0001310100000000 ] - [ 0.0022745800000000, -0.0000993600000000, -0.0000093700000000 ] - [ 0.0017990800000000, 0.0002697100000000, 0.0002085200000000 ] - [ 0.0026716900000000, 0.0005427000000000, 0.0000118400000000 ] - [ 0.0010888700000000, -0.0003719300000000, -0.0001024900000000 ] - [ 0.0002163000000000, -0.0004579000000000, 0.0001083100000000 ] - [ 0.0148628400000000, -0.0024753900000000, -0.0012879200000000 ] - [ 0.0149747800000000, 0.0031925500000000, -0.0015986000000000 ] - [ -0.0008912500000000, 0.0010737700000000, -0.0009504500000000 ] - [ -0.0009443000000000, -0.0019522100000000, -0.0003688700000000 ] - [ -0.0078618000000000, -0.0022855500000000, 0.0035192900000000 ] - [ -0.0078195000000000, 0.0031325600000000, 0.0029059800000000 ] - [ 0.0016513300000000, -0.0003928800000000, 0.0005239800000000 ] - [ 0.0016913400000000, -0.0000941000000000, 0.0004329800000000 ] - [ 0.0224065100000000, 0.0013777300000000, 0.0006407300000000 ] - [ 0.0223971200000000, -0.0007736100000000, 0.0004951800000000 ] - [ 0.0002760500000000, -0.0016409400000000, 0.0005509700000000 ] - [ 0.0006992500000000, 0.0010611900000000, 0.0002747000000000 ] - [ 0.0308469500000000, -0.0088109100000000, 0.0017810200000000 ] - [ 0.0277253600000000, 0.0080642400000000, 0.0020947800000000 ] - [ 0.0021178300000000, 0.0011496800000000, 0.0055323500000000 ] - [ 0.0020128200000000, -0.0020552200000000, 0.0060875200000000 ] - [ 0.0018443400000000, -0.0036482400000000, -0.0007416200000000 ] - [ 0.0019187800000000, 0.0045621000000000, -0.0013300400000000 ] - [ -0.0037484800000000, 0.0000010900000000, -0.0002561400000000 ] - [ -0.0037127500000000, -0.0005522400000000, -0.0003121400000000 ] - [ -0.0024070600000000, 0.0002765200000000, -0.0000717200000000 ] - [ -0.0024453000000000, 0.0002917100000000, 0.0000085900000000 ] - [ -0.0013358100000000, -0.0000910000000000, -0.0001740200000000 ] - [ -0.0009458200000000, -0.0005021600000000, -0.0004539800000000 ] - [ -0.0006439000000000, 0.0014352800000000, -0.0001530500000000 ] - [ -0.0010365400000000, -0.0008385400000000, 0.0001273000000000 ] - [ 0.0031029000000000, -0.0000132200000000, 0.0005836500000000 ] - [ 0.0028433100000000, 0.0000325800000000, -0.0004628200000000 ] - [ -0.0005347000000000, 0.0016628300000000, 0.0009811500000000 ] - [ -0.0014828600000000, -0.0008146300000000, 0.0004755000000000 ] - [ -0.0085730200000000, -0.0039683300000000, -0.0031228500000000 ] - [ -0.0076309400000000, 0.0030980900000000, -0.0026164000000000 ] - [ -0.0014631800000000, 0.0000239000000000, -0.0000406800000000 ] - [ -0.0123380900000000, 0.0000036200000000, -0.0023355900000000 ] - [ 0.0030195600000000, 0.0001473600000000, -0.0058610300000000 ] - [ 0.0020041500000000, 0.0006662800000000, -0.0063389200000000 ] - [ -0.0000056900000000, -0.0064723100000000, 0.0018294400000000 ] - [ 0.0009628600000000, 0.0056759400000000, 0.0023581800000000 ]- atom: 23 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008881100000000, 0.0006157400000000, 0.0001215600000000 ] - [ 0.0008881100000000, 0.0006157400000000, -0.0001215600000000 ] - [ 0.0084181900000000, -0.0039868600000000, 0.0023146100000000 ] - [ -0.0084181900000000, -0.0039868600000000, -0.0023146100000000 ] - [ 0.0005439800000000, -0.0000093600000000, 0.0005154100000000 ] - [ -0.0005439800000000, -0.0000093600000000, -0.0005154100000000 ] - [ -0.0005547900000000, 0.0001963600000000, -0.0000658800000000 ] - [ 0.0005547900000000, 0.0001963600000000, 0.0000658800000000 ] - [ -0.0004197300000000, 0.0003567400000000, 0.0002069900000000 ] - [ 0.0004197300000000, 0.0003567400000000, -0.0002069900000000 ] - [ 0.0001201100000000, -0.0002593000000000, 0.0000027000000000 ] - [ -0.0001201100000000, -0.0002593000000000, -0.0000027000000000 ] - [ -0.0008247300000000, 0.0009930100000000, 0.0000711800000000 ] - [ 0.0008247300000000, 0.0009930100000000, -0.0000711800000000 ] - [ 0.0062413600000000, -0.0068148300000000, -0.0010657800000000 ] - [ -0.0062413600000000, -0.0068148300000000, 0.0010657800000000 ] - [ 0.0008170200000000, -0.0018370400000000, 0.0006723700000000 ] - [ -0.0008170200000000, -0.0018370400000000, -0.0006723700000000 ] - [ 0.0002035400000000, 0.0026716700000000, 0.0001902400000000 ] - [ -0.0002035400000000, 0.0026716700000000, -0.0001902400000000 ] - [ -0.0004845900000000, -0.0040515100000000, 0.0013379400000000 ] - [ 0.0004845900000000, -0.0040515100000000, -0.0013379400000000 ] - [ 0.0000000000000000, -0.0678367400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0013449900000000, 0.0000000000000000 ] - [ -0.0001368400000000, 0.0073138700000000, -0.0031410900000000 ] - [ 0.0001368400000000, 0.0073138700000000, 0.0031410900000000 ] - [ 0.0009652900000000, 0.0016849400000000, -0.0050135900000000 ] - [ -0.0009652900000000, 0.0016849400000000, 0.0050135900000000 ] - [ 0.0014068000000000, 0.0026780100000000, 0.0007889600000000 ] - [ -0.0014068000000000, 0.0026780100000000, -0.0007889600000000 ] - [ -0.0001618600000000, -0.0011007300000000, -0.0003099400000000 ] - [ 0.0001618600000000, -0.0011007300000000, 0.0003099400000000 ] - [ 0.0005926600000000, 0.0013274600000000, 0.0000834300000000 ] - [ -0.0005926600000000, 0.0013274600000000, -0.0000834300000000 ] - [ 0.0000113500000000, 0.0005124100000000, -0.0012496300000000 ] - [ -0.0000113500000000, 0.0005124100000000, 0.0012496300000000 ] - [ -0.0027953600000000, 0.0036548400000000, -0.0056789000000000 ] - [ 0.0027953600000000, 0.0036548400000000, 0.0056789000000000 ] - [ -0.0008376400000000, 0.0014231100000000, 0.0012358800000000 ] - [ 0.0008376400000000, 0.0014231100000000, -0.0012358800000000 ] - [ -0.0021634800000000, 0.0034255600000000, 0.0054449200000000 ] - [ 0.0021634800000000, 0.0034255600000000, -0.0054449200000000 ] - [ 0.0003948900000000, -0.0008117400000000, 0.0002208800000000 ] - [ -0.0003948900000000, -0.0008117400000000, -0.0002208800000000 ] - [ -0.0000983900000000, 0.0010751300000000, 0.0000297700000000 ] - [ 0.0000983900000000, 0.0010751300000000, -0.0000297700000000 ] - [ -0.0001969700000000, -0.0000356400000000, 0.0000677000000000 ] - [ 0.0001969700000000, -0.0000356400000000, -0.0000677000000000 ] - [ -0.0013258200000000, -0.0004750000000000, 0.0003843600000000 ] - [ 0.0013258200000000, -0.0004750000000000, -0.0003843600000000 ] - [ 0.0002436300000000, 0.0002267300000000, 0.0004717800000000 ] - [ -0.0002436300000000, 0.0002267300000000, -0.0004717800000000 ] - [ 0.0000000000000000, 0.0006222000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0004109300000000, 0.0000000000000000 ] - [ -0.0004104800000000, 0.0011252900000000, 0.0009765700000000 ] - [ 0.0004104800000000, 0.0011252900000000, -0.0009765700000000 ] - [ 0.0004181300000000, -0.0002150900000000, 0.0001729300000000 ] - [ -0.0004181300000000, -0.0002150900000000, -0.0001729300000000 ] - [ 0.0058252300000000, -0.0023204500000000, -0.0014319400000000 ] - [ -0.0058252300000000, -0.0023204500000000, 0.0014319400000000 ] - [ 0.0005710800000000, -0.0011231300000000, -0.0003005100000000 ] - [ -0.0005710800000000, -0.0011231300000000, 0.0003005100000000 ] - [ -0.0019112800000000, 0.0018264400000000, -0.0013238100000000 ] - [ 0.0019112800000000, 0.0018264400000000, 0.0013238100000000 ] - [ 0.0001502000000000, -0.0044974900000000, -0.0016372400000000 ] - [ -0.0001502000000000, -0.0044974900000000, 0.0016372400000000 ] - [ 0.0010114400000000, 0.0173510200000000, 0.0002926000000000 ] - [ -0.0010114400000000, 0.0173510200000000, -0.0002926000000000 ] - [ 0.0002851900000000, -0.0017782000000000, 0.0001647000000000 ] - [ -0.0002851900000000, -0.0017782000000000, -0.0001647000000000 ] - [ -0.0043858000000000, 0.0225079300000000, -0.0016146100000000 ] - [ 0.0043858000000000, 0.0225079300000000, 0.0016146100000000 ] - [ 0.0006015800000000, 0.0028215100000000, -0.0028191100000000 ] - [ -0.0006015800000000, 0.0028215100000000, 0.0028191100000000 ] - [ 0.0000778900000000, -0.0039623100000000, -0.0003213900000000 ] - [ -0.0000778900000000, -0.0039623100000000, 0.0003213900000000 ] - [ 0.0000616700000000, 0.0002590400000000, 0.0008453600000000 ] - [ -0.0000616700000000, 0.0002590400000000, -0.0008453600000000 ] - [ -0.0001902200000000, -0.0008243100000000, 0.0003223000000000 ] - [ 0.0001902200000000, -0.0008243100000000, -0.0003223000000000 ] - [ -0.0008657000000000, 0.0003393300000000, -0.0000108700000000 ] - [ 0.0008657000000000, 0.0003393300000000, 0.0000108700000000 ] - [ 0.0012673900000000, -0.0008238000000000, -0.0004073500000000 ] - [ -0.0012673900000000, -0.0008238000000000, 0.0004073500000000 ] - [ 0.0000000000000000, 0.0048426700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0085537000000000, 0.0000000000000000 ] - [ 0.0011106600000000, 0.0000832000000000, 0.0003022000000000 ] - [ -0.0011106600000000, 0.0000832000000000, -0.0003022000000000 ] - [ -0.0031263200000000, -0.0009425200000000, -0.0003685700000000 ] - [ 0.0031263200000000, -0.0009425200000000, 0.0003685700000000 ] - [ 0.0000000000000000, -0.0005291300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0025962700000000, 0.0000000000000000 ] - [ 0.0004360500000000, 0.0029983000000000, 0.0046817600000000 ] - [ -0.0004360500000000, 0.0029983000000000, -0.0046817600000000 ] - [ -0.0003428400000000, -0.0050398900000000, 0.0016640100000000 ] - [ 0.0003428400000000, -0.0050398900000000, -0.0016640100000000 ]- atom: 23 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005532800000000, -0.0005986900000000, -0.0000660500000000 ] - [ -0.0005532800000000, -0.0005986900000000, 0.0000660500000000 ] - [ -0.0081224200000000, 0.0039163000000000, -0.0024020100000000 ] - [ 0.0081224200000000, 0.0039163000000000, 0.0024020100000000 ] - [ -0.0004370100000000, -0.0002129400000000, -0.0001777200000000 ] - [ 0.0004370100000000, -0.0002129400000000, 0.0001777200000000 ] - [ 0.0004440400000000, 0.0000101300000000, -0.0002754300000000 ] - [ -0.0004440400000000, 0.0000101300000000, 0.0002754300000000 ] - [ -0.0007825000000000, 0.0009027600000000, -0.0001906400000000 ] - [ 0.0007825000000000, 0.0009027600000000, 0.0001906400000000 ] - [ 0.0010828200000000, -0.0010201900000000, -0.0000214900000000 ] - [ -0.0010828200000000, -0.0010201900000000, 0.0000214900000000 ] - [ 0.0009367000000000, -0.0013540000000000, -0.0000823100000000 ] - [ -0.0009367000000000, -0.0013540000000000, 0.0000823100000000 ] - [ -0.0064222800000000, 0.0071382500000000, 0.0011455500000000 ] - [ 0.0064222800000000, 0.0071382500000000, -0.0011455500000000 ] - [ -0.0008330500000000, 0.0011650100000000, -0.0003859900000000 ] - [ 0.0008330500000000, 0.0011650100000000, 0.0003859900000000 ] - [ -0.0006081700000000, -0.0022899400000000, -0.0008089200000000 ] - [ 0.0006081700000000, -0.0022899400000000, 0.0008089200000000 ] - [ 0.0008963100000000, 0.0036740300000000, -0.0007131800000000 ] - [ -0.0008963100000000, 0.0036740300000000, 0.0007131800000000 ] - [ 0.0000000000000000, 0.0679396900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0015447600000000, 0.0000000000000000 ] - [ -0.0007338200000000, -0.0064367200000000, 0.0033066700000000 ] - [ 0.0007338200000000, -0.0064367200000000, -0.0033066700000000 ] - [ -0.0000918400000000, -0.0025101700000000, 0.0047934000000000 ] - [ 0.0000918400000000, -0.0025101700000000, -0.0047934000000000 ] - [ -0.0014139400000000, -0.0020020400000000, -0.0005009900000000 ] - [ 0.0014139400000000, -0.0020020400000000, 0.0005009900000000 ] - [ -0.0001584800000000, 0.0011294200000000, 0.0003692300000000 ] - [ 0.0001584800000000, 0.0011294200000000, -0.0003692300000000 ] - [ -0.0002684600000000, -0.0013499700000000, -0.0001378900000000 ] - [ 0.0002684600000000, -0.0013499700000000, 0.0001378900000000 ] - [ 0.0000968900000000, -0.0007242300000000, 0.0015930700000000 ] - [ -0.0000968900000000, -0.0007242300000000, -0.0015930700000000 ] - [ 0.0027154000000000, -0.0034510500000000, 0.0053492800000000 ] - [ -0.0027154000000000, -0.0034510500000000, -0.0053492800000000 ] - [ -0.0003640000000000, -0.0001599600000000, -0.0012252100000000 ] - [ 0.0003640000000000, -0.0001599600000000, 0.0012252100000000 ] - [ 0.0033982500000000, -0.0046958200000000, -0.0054805100000000 ] - [ -0.0033982500000000, -0.0046958200000000, 0.0054805100000000 ] - [ -0.0002804700000000, 0.0004553900000000, -0.0002256100000000 ] - [ 0.0002804700000000, 0.0004553900000000, 0.0002256100000000 ] - [ -0.0000244000000000, -0.0007169400000000, -0.0000227300000000 ] - [ 0.0000244000000000, -0.0007169400000000, 0.0000227300000000 ] - [ 0.0001769700000000, -0.0006336200000000, 0.0002169000000000 ] - [ -0.0001769700000000, -0.0006336200000000, -0.0002169000000000 ] - [ 0.0009236500000000, 0.0008571500000000, -0.0009970000000000 ] - [ -0.0009236500000000, 0.0008571500000000, 0.0009970000000000 ] - [ 0.0001616400000000, -0.0006087500000000, 0.0001436300000000 ] - [ -0.0001616400000000, -0.0006087500000000, -0.0001436300000000 ] - [ 0.0000000000000000, -0.0004182500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0002074700000000, 0.0000000000000000 ] - [ -0.0004622400000000, -0.0002925400000000, -0.0007642300000000 ] - [ 0.0004622400000000, -0.0002925400000000, 0.0007642300000000 ] - [ 0.0004545700000000, -0.0006121500000000, -0.0003855000000000 ] - [ -0.0004545700000000, -0.0006121500000000, 0.0003855000000000 ] - [ -0.0058590900000000, 0.0029870600000000, 0.0017216600000000 ] - [ 0.0058590900000000, 0.0029870600000000, -0.0017216600000000 ] - [ -0.0004938000000000, 0.0002535500000000, -0.0002832700000000 ] - [ 0.0004938000000000, 0.0002535500000000, 0.0002832700000000 ] - [ 0.0018559000000000, -0.0009428200000000, 0.0019075100000000 ] - [ -0.0018559000000000, -0.0009428200000000, -0.0019075100000000 ] - [ -0.0001795800000000, 0.0039430700000000, 0.0016998700000000 ] - [ 0.0001795800000000, 0.0039430700000000, -0.0016998700000000 ] - [ -0.0009735300000000, -0.0165920700000000, 0.0001300800000000 ] - [ 0.0009735300000000, -0.0165920700000000, -0.0001300800000000 ] - [ -0.0006809200000000, 0.0011848900000000, 0.0001180800000000 ] - [ 0.0006809200000000, 0.0011848900000000, -0.0001180800000000 ] - [ 0.0052244400000000, -0.0219706800000000, 0.0013305000000000 ] - [ -0.0052244400000000, -0.0219706800000000, -0.0013305000000000 ] - [ -0.0005297400000000, -0.0037232200000000, 0.0022318200000000 ] - [ 0.0005297400000000, -0.0037232200000000, -0.0022318200000000 ] - [ -0.0001439000000000, 0.0048393700000000, 0.0009142000000000 ] - [ 0.0001439000000000, 0.0048393700000000, -0.0009142000000000 ] - [ -0.0000962800000000, -0.0008141300000000, -0.0007626800000000 ] - [ 0.0000962800000000, -0.0008141300000000, 0.0007626800000000 ] - [ 0.0002218900000000, 0.0013708000000000, -0.0004058800000000 ] - [ -0.0002218900000000, 0.0013708000000000, 0.0004058800000000 ] - [ 0.0004659600000000, -0.0009305100000000, 0.0002892800000000 ] - [ -0.0004659600000000, -0.0009305100000000, -0.0002892800000000 ] - [ -0.0008587300000000, 0.0014204800000000, 0.0001281000000000 ] - [ 0.0008587300000000, 0.0014204800000000, -0.0001281000000000 ] - [ 0.0000000000000000, -0.0048005300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0084755300000000, 0.0000000000000000 ] - [ -0.0001490600000000, 0.0007831700000000, 0.0002049900000000 ] - [ 0.0001490600000000, 0.0007831700000000, -0.0002049900000000 ] - [ 0.0021845400000000, 0.0000924700000000, -0.0001352500000000 ] - [ -0.0021845400000000, 0.0000924700000000, 0.0001352500000000 ] - [ 0.0000000000000000, 0.0005607900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0025555900000000, 0.0000000000000000 ] - [ 0.0005267900000000, -0.0021536100000000, -0.0041784200000000 ] - [ -0.0005267900000000, -0.0021536100000000, 0.0041784200000000 ] - [ -0.0006079100000000, 0.0041856900000000, -0.0021784400000000 ] - [ 0.0006079100000000, 0.0041856900000000, 0.0021784400000000 ]- atom: 23 displacement: [ -0.0005876189178017, 0.0000000000000000, 0.0099827202709202 ] forces: - [ -0.0006409500000000, 0.0005780500000000, 0.0008296400000000 ] - [ -0.0003006400000000, -0.0005522000000000, 0.0007770300000000 ] - [ 0.0169795700000000, 0.0023758200000000, 0.0032256000000000 ] - [ 0.0165484100000000, -0.0024132900000000, 0.0033449800000000 ] - [ 0.0007366400000000, 0.0005178400000000, 0.0022263300000000 ] - [ 0.0006240800000000, -0.0007342200000000, 0.0018836300000000 ] - [ -0.0003968700000000, 0.0016245000000000, -0.0009687200000000 ] - [ -0.0002848500000000, -0.0014073200000000, -0.0006161500000000 ] - [ -0.0009125000000000, 0.0003193400000000, 0.0014706600000000 ] - [ 0.0002827800000000, 0.0009518900000000, 0.0014515700000000 ] - [ 0.0013239100000000, -0.0028562400000000, -0.0008720000000000 ] - [ 0.0001266100000000, 0.0015946900000000, -0.0008617100000000 ] - [ 0.0007238800000000, -0.0007432700000000, 0.0007739500000000 ] - [ 0.0006154200000000, 0.0003936200000000, 0.0007792500000000 ] - [ -0.0212255900000000, 0.0003246700000000, 0.0104659100000000 ] - [ -0.0213873800000000, 0.0000267500000000, 0.0104995400000000 ] - [ -0.0002692600000000, -0.0009805500000000, 0.0041333500000000 ] - [ -0.0002799000000000, 0.0002906600000000, 0.0038394900000000 ] - [ -0.0001852600000000, -0.0000292300000000, -0.0004849300000000 ] - [ 0.0002086100000000, 0.0004350500000000, 0.0001209100000000 ] - [ 0.0014525700000000, 0.0048090400000000, 0.0076973300000000 ] - [ 0.0010771600000000, -0.0052697200000000, 0.0071523900000000 ] - [ 0.0132190800000000, -0.0010691900000000, -0.1139219900000000 ] - [ -0.0001363800000000, -0.0000943200000000, 0.0022515200000000 ] - [ -0.0007139100000000, -0.0082027300000000, -0.0034881100000000 ] - [ 0.0001538700000000, 0.0091019000000000, -0.0037586200000000 ] - [ -0.0007970600000000, -0.0047289900000000, 0.0132112000000000 ] - [ -0.0016826400000000, 0.0039468300000000, 0.0135295400000000 ] - [ 0.0002680000000000, 0.0001795900000000, -0.0017376100000000 ] - [ 0.0002712000000000, 0.0005097300000000, -0.0020271300000000 ] - [ 0.0010518100000000, -0.0001590100000000, 0.0017943500000000 ] - [ 0.0013839900000000, 0.0001704100000000, 0.0017546900000000 ] - [ -0.0005172700000000, -0.0007497100000000, -0.0006795100000000 ] - [ -0.0008530800000000, 0.0007423300000000, -0.0006249900000000 ] - [ -0.0003682300000000, -0.0018485900000000, 0.0015420200000000 ] - [ -0.0004771100000000, 0.0016343700000000, 0.0012153200000000 ] - [ 0.0023856200000000, -0.0016446200000000, -0.0019620100000000 ] - [ 0.0024986800000000, 0.0018952300000000, -0.0015489600000000 ] - [ 0.0000324400000000, 0.0024915900000000, 0.0012027400000000 ] - [ 0.0012402200000000, -0.0012129800000000, 0.0011687700000000 ] - [ -0.0011272700000000, 0.0019179500000000, -0.0001184800000000 ] - [ -0.0023218300000000, -0.0031474200000000, -0.0001743000000000 ] - [ -0.0020754700000000, 0.0002102200000000, 0.0021885000000000 ] - [ -0.0022065500000000, -0.0005764400000000, 0.0021947700000000 ] - [ 0.0002902900000000, 0.0002272500000000, -0.0005598200000000 ] - [ 0.0004103800000000, 0.0001396800000000, -0.0005699100000000 ] - [ 0.0000993700000000, -0.0005573900000000, 0.0009927100000000 ] - [ 0.0001190200000000, -0.0001112600000000, 0.0007089300000000 ] - [ 0.0003121400000000, 0.0008192100000000, -0.0000697300000000 ] - [ 0.0007204800000000, -0.0004485600000000, 0.0005366000000000 ] - [ 0.0001311700000000, -0.0005296800000000, 0.0005183200000000 ] - [ -0.0002700000000000, 0.0001515400000000, -0.0000999000000000 ] - [ 0.0000304500000000, 0.0001033200000000, -0.0009749500000000 ] - [ -0.0001459900000000, -0.0001038800000000, 0.0019199600000000 ] - [ -0.0005667900000000, 0.0004880600000000, -0.0007083900000000 ] - [ 0.0003060800000000, 0.0003526800000000, -0.0009339200000000 ] - [ 0.0004532500000000, 0.0001441200000000, 0.0004788800000000 ] - [ -0.0004186800000000, -0.0009689000000000, 0.0006826500000000 ] - [ -0.0016431300000000, -0.0000549900000000, -0.0017789000000000 ] - [ -0.0017054800000000, 0.0006883400000000, -0.0020408200000000 ] - [ -0.0003894600000000, 0.0006232300000000, -0.0010356600000000 ] - [ -0.0004591200000000, -0.0015001800000000, -0.0004457000000000 ] - [ 0.0058525400000000, 0.0020866900000000, 0.0006248600000000 ] - [ 0.0059458300000000, -0.0011958500000000, 0.0000680500000000 ] - [ 0.0002347800000000, -0.0041329900000000, -0.0020071300000000 ] - [ 0.0002725300000000, 0.0035304800000000, -0.0020891400000000 ] - [ -0.0003102100000000, -0.0001321800000000, 0.0140057600000000 ] - [ -0.0003957200000000, 0.0017407200000000, 0.0122890500000000 ] - [ -0.0001342300000000, -0.0004013200000000, -0.0029564300000000 ] - [ 0.0002702000000000, -0.0002027300000000, -0.0032346900000000 ] - [ -0.0018720500000000, 0.0005921200000000, 0.0213126000000000 ] - [ -0.0023699800000000, 0.0000393500000000, 0.0216048500000000 ] - [ 0.0035675500000000, -0.0043382000000000, -0.0058050400000000 ] - [ 0.0035245000000000, 0.0035060400000000, -0.0051894200000000 ] - [ -0.0006993900000000, -0.0007976000000000, 0.0010194300000000 ] - [ -0.0006381900000000, 0.0016355900000000, 0.0004438300000000 ] - [ 0.0001054000000000, 0.0009726800000000, -0.0010171800000000 ] - [ 0.0001373600000000, -0.0015137700000000, -0.0011049000000000 ] - [ 0.0001451000000000, 0.0002389400000000, 0.0004539000000000 ] - [ 0.0001082300000000, 0.0002940200000000, 0.0005235700000000 ] - [ 0.0000211000000000, -0.0001239900000000, -0.0041012900000000 ] - [ 0.0004511600000000, -0.0004669600000000, -0.0043861700000000 ] - [ 0.0002034800000000, 0.0006218500000000, 0.0027733000000000 ] - [ -0.0002153900000000, -0.0000359200000000, 0.0030528600000000 ] - [ 0.0007156900000000, 0.0000459100000000, -0.0119931700000000 ] - [ -0.0011055100000000, -0.0000298100000000, 0.0091371600000000 ] - [ 0.0009291600000000, -0.0002789100000000, -0.0002921600000000 ] - [ -0.0000349300000000, 0.0011368100000000, -0.0008110800000000 ] - [ -0.0047261700000000, -0.0036830200000000, -0.0017625500000000 ] - [ -0.0037837400000000, 0.0028357600000000, -0.0012640400000000 ] - [ -0.0002203000000000, 0.0000135000000000, -0.0016101200000000 ] - [ 0.0016379800000000, -0.0000368300000000, 0.0025179600000000 ] - [ -0.0048550600000000, 0.0048652900000000, -0.0022640000000000 ] - [ -0.0057611000000000, -0.0039661200000000, -0.0028271100000000 ] - [ 0.0003630800000000, 0.0014811300000000, -0.0005510000000000 ] - [ 0.0013177600000000, -0.0023853300000000, -0.0000606700000000 ]- atom: 25 displacement: [ 0.0099999882271062, 0.0000000000000000, 0.0000153446321733 ] forces: - [ -0.0003712400000000, 0.0000394100000000, -0.0000431200000000 ] - [ 0.0009003400000000, 0.0015709500000000, -0.0025973100000000 ] - [ -0.0002428000000000, -0.0003360700000000, 0.0004304800000000 ] - [ 0.0017860300000000, 0.0041495900000000, 0.0004666000000000 ] - [ 0.0001106600000000, -0.0003121200000000, 0.0003154600000000 ] - [ 0.0005107500000000, 0.0002701900000000, 0.0006939500000000 ] - [ 0.0004632900000000, 0.0004314700000000, -0.0010635800000000 ] - [ 0.0047522000000000, -0.0002951100000000, -0.0007755900000000 ] - [ -0.0000579300000000, -0.0001575400000000, -0.0009912600000000 ] - [ 0.0007588400000000, 0.0006805600000000, -0.0000629100000000 ] - [ 0.0027392700000000, -0.0005777200000000, 0.0005402100000000 ] - [ -0.0000263400000000, -0.0010605600000000, 0.0010954400000000 ] - [ 0.0001789300000000, -0.0025856400000000, 0.0037368600000000 ] - [ -0.0005892900000000, -0.0006095300000000, 0.0001837400000000 ] - [ -0.0009041300000000, -0.0037300800000000, -0.0010794200000000 ] - [ -0.0000372300000000, 0.0002714000000000, -0.0004404000000000 ] - [ -0.0005571700000000, -0.0000684600000000, -0.0000912600000000 ] - [ -0.0003267000000000, -0.0005512300000000, -0.0002292700000000 ] - [ -0.0042540500000000, 0.0036399000000000, -0.0010492900000000 ] - [ -0.0014029100000000, 0.0000982700000000, -0.0001766900000000 ] - [ -0.0002525000000000, 0.0004486300000000, 0.0008644400000000 ] - [ -0.0008047400000000, 0.0000890900000000, -0.0004100800000000 ] - [ -0.0019408100000000, 0.0003989800000000, -0.0004028900000000 ] - [ -0.0008107500000000, 0.0004099500000000, -0.0012568400000000 ] - [ -0.0417065100000000, 0.0070151300000000, 0.0175313200000000 ] - [ -0.0032039500000000, 0.0002907800000000, -0.0032875000000000 ] - [ -0.0027069500000000, -0.0011094200000000, 0.0004112400000000 ] - [ -0.0005671500000000, -0.0002632500000000, -0.0002775100000000 ] - [ 0.0007799500000000, 0.0086324300000000, 0.0080237000000000 ] - [ 0.0066540400000000, -0.0120750600000000, -0.0049777900000000 ] - [ 0.0000436100000000, -0.0000069700000000, 0.0000469300000000 ] - [ 0.0006961500000000, 0.0002149600000000, 0.0004412800000000 ] - [ 0.0013550900000000, -0.0005054500000000, -0.0011875000000000 ] - [ 0.0009060300000000, 0.0008724100000000, -0.0003436300000000 ] - [ -0.0000942300000000, -0.0002860900000000, 0.0002306300000000 ] - [ -0.0001406700000000, 0.0001272900000000, -0.0002624400000000 ] - [ -0.0001736500000000, 0.0005602400000000, -0.0000734900000000 ] - [ -0.0001237400000000, -0.0000471700000000, 0.0003111600000000 ] - [ -0.0009442900000000, 0.0003108300000000, 0.0004797800000000 ] - [ 0.0003955800000000, 0.0012678500000000, 0.0003455700000000 ] - [ 0.0004291800000000, -0.0004845800000000, -0.0000347800000000 ] - [ -0.0007317900000000, -0.0006652200000000, -0.0004480300000000 ] - [ 0.0006376700000000, -0.0006337700000000, -0.0003691700000000 ] - [ 0.0002562900000000, -0.0000365300000000, 0.0000077600000000 ] - [ 0.0016059200000000, -0.0004344700000000, 0.0007496400000000 ] - [ 0.0013580800000000, 0.0005783800000000, 0.0008465900000000 ] - [ 0.0007368900000000, -0.0006737300000000, 0.0005403200000000 ] - [ 0.0006731900000000, -0.0000998200000000, -0.0002017300000000 ] - [ 0.0014499400000000, 0.0005198400000000, -0.0002158900000000 ] - [ 0.0008500100000000, -0.0000309400000000, 0.0003737700000000 ] - [ 0.0021671800000000, 0.0003159000000000, 0.0000728200000000 ] - [ 0.0006239100000000, -0.0002613500000000, -0.0003482300000000 ] - [ 0.0022337200000000, 0.0001295400000000, 0.0000010600000000 ] - [ 0.0006521500000000, -0.0001188300000000, 0.0000560300000000 ] - [ -0.0000362200000000, 0.0004597400000000, 0.0000878500000000 ] - [ 0.0007551500000000, 0.0004314800000000, -0.0001081900000000 ] - [ 0.0007901900000000, -0.0003265000000000, -0.0000803200000000 ] - [ -0.0001456100000000, -0.0004105500000000, 0.0001516800000000 ] - [ 0.0007154400000000, 0.0005542600000000, -0.0000365300000000 ] - [ 0.0005843700000000, -0.0000937000000000, 0.0001555500000000 ] - [ -0.0027447200000000, 0.0003623700000000, -0.0017215400000000 ] - [ -0.0005793200000000, -0.0005154200000000, -0.0002563200000000 ] - [ -0.0026163200000000, 0.0031806000000000, 0.0009955000000000 ] - [ -0.0007350300000000, -0.0000199800000000, 0.0001154000000000 ] - [ 0.0008564800000000, 0.0004717400000000, 0.0011616500000000 ] - [ 0.0114357800000000, -0.0006593600000000, 0.0017187800000000 ] - [ 0.0015632600000000, -0.0006150000000000, 0.0001978700000000 ] - [ 0.0112511400000000, 0.0069156600000000, 0.0011402300000000 ] - [ 0.0004750300000000, 0.0000858200000000, -0.0010260900000000 ] - [ 0.0003803600000000, -0.0009518100000000, 0.0008499800000000 ] - [ 0.0008889700000000, 0.0008693400000000, -0.0009555300000000 ] - [ 0.0000450500000000, -0.0006841800000000, 0.0016861900000000 ] - [ 0.0008074700000000, -0.0001670900000000, 0.0005954200000000 ] - [ 0.0002247700000000, -0.0002845100000000, 0.0005942600000000 ] - [ 0.0018718600000000, 0.0039916600000000, -0.0032608300000000 ] - [ 0.0011261300000000, -0.0010369600000000, -0.0030455500000000 ] - [ -0.0005906100000000, -0.0002429300000000, -0.0000264200000000 ] - [ -0.0010553600000000, -0.0004096800000000, -0.0001677300000000 ] - [ -0.0015474600000000, 0.0001738400000000, -0.0000143100000000 ] - [ -0.0020981800000000, 0.0000954900000000, -0.0000431700000000 ] - [ -0.0004139900000000, 0.0003441600000000, 0.0006358200000000 ] - [ -0.0000568600000000, -0.0007195100000000, -0.0008355100000000 ] - [ -0.0054219900000000, 0.0005238000000000, 0.0012781900000000 ] - [ -0.0053027400000000, -0.0017582000000000, -0.0020280700000000 ] - [ 0.0002774400000000, -0.0000334600000000, 0.0001936000000000 ] - [ 0.0251215500000000, -0.0110269100000000, -0.0166250300000000 ] - [ -0.0000969400000000, 0.0006515700000000, 0.0008586200000000 ] - [ -0.0041271500000000, -0.0006017300000000, 0.0026827100000000 ] - [ -0.0010040600000000, 0.0004483800000000, -0.0009043200000000 ] - [ -0.0033557400000000, -0.0018992700000000, -0.0012814500000000 ] - [ -0.0010396900000000, -0.0000459000000000, -0.0000831100000000 ] - [ -0.0011495300000000, -0.0000294200000000, -0.0000438700000000 ] - [ 0.0008896300000000, -0.0001303100000000, 0.0000613500000000 ] - [ -0.0001105100000000, 0.0000694100000000, -0.0010578900000000 ] - [ 0.0001030100000000, -0.0000016800000000, 0.0013045900000000 ] - [ 0.0003315500000000, -0.0022825200000000, 0.0010373700000000 ]- atom: 25 displacement: [ -0.0099999882271062, 0.0000000000000000, -0.0000153446321733 ] forces: - [ 0.0000512400000000, -0.0000200400000000, 0.0000996500000000 ] - [ -0.0005852700000000, -0.0015311900000000, 0.0025128200000000 ] - [ 0.0005542300000000, 0.0003075600000000, -0.0004881600000000 ] - [ -0.0021071000000000, -0.0042196300000000, -0.0004143300000000 ] - [ -0.0000043500000000, 0.0001039100000000, 0.0000433600000000 ] - [ -0.0006192700000000, -0.0004826600000000, -0.0010563500000000 ] - [ -0.0005721700000000, -0.0002200300000000, 0.0007209600000000 ] - [ -0.0045883000000000, 0.0004992100000000, 0.0011185900000000 ] - [ -0.0011451100000000, 0.0014140100000000, 0.0009965000000000 ] - [ 0.0004432300000000, 0.0005814200000000, 0.0000497100000000 ] - [ -0.0015546600000000, -0.0006826000000000, -0.0005569600000000 ] - [ -0.0011732200000000, -0.0001944000000000, -0.0010776200000000 ] - [ -0.0000596300000000, 0.0022467000000000, -0.0037787800000000 ] - [ 0.0004638300000000, 0.0002455900000000, -0.0001754900000000 ] - [ 0.0007696300000000, 0.0040725500000000, 0.0010779300000000 ] - [ 0.0001601800000000, 0.0000913400000000, 0.0004341400000000 ] - [ 0.0005343700000000, -0.0006015200000000, 0.0003778000000000 ] - [ 0.0003442600000000, -0.0001206600000000, -0.0000540500000000 ] - [ 0.0038215900000000, -0.0033055500000000, 0.0004432300000000 ] - [ 0.0018176800000000, 0.0002739600000000, 0.0007962000000000 ] - [ 0.0006650900000000, -0.0007946800000000, -0.0002294100000000 ] - [ 0.0004009300000000, -0.0004690700000000, -0.0002071600000000 ] - [ 0.0019445900000000, -0.0001871400000000, 0.0003984800000000 ] - [ 0.0008125100000000, -0.0006340200000000, 0.0012809500000000 ] - [ 0.0405131100000000, -0.0061233800000000, -0.0170481200000000 ] - [ 0.0040925500000000, 0.0005337500000000, 0.0030600700000000 ] - [ 0.0035806200000000, 0.0003016900000000, -0.0005744000000000 ] - [ -0.0003064400000000, -0.0005605500000000, 0.0004857600000000 ] - [ -0.0008055200000000, -0.0079031300000000, -0.0076965800000000 ] - [ -0.0066900000000000, 0.0128993000000000, 0.0047616900000000 ] - [ -0.0003767700000000, 0.0000235400000000, 0.0000077200000000 ] - [ -0.0003612800000000, -0.0001995700000000, -0.0004981200000000 ] - [ -0.0010341400000000, 0.0004846500000000, 0.0011344300000000 ] - [ -0.0012359600000000, -0.0008881200000000, 0.0004010000000000 ] - [ 0.0002043800000000, 0.0000747000000000, 0.0001199600000000 ] - [ 0.0000256500000000, -0.0003422200000000, -0.0000807500000000 ] - [ 0.0000637400000000, -0.0003473900000000, -0.0002733800000000 ] - [ 0.0002361900000000, 0.0002634300000000, 0.0000262200000000 ] - [ -0.0002522400000000, 0.0009651100000000, -0.0004626900000000 ] - [ 0.0008044800000000, 0.0000062600000000, -0.0003641600000000 ] - [ 0.0007667400000000, -0.0007808200000000, 0.0000191300000000 ] - [ -0.0004681600000000, -0.0005981200000000, 0.0004654200000000 ] - [ -0.0005255700000000, 0.0002676400000000, 0.0003589600000000 ] - [ -0.0003726100000000, -0.0003262200000000, -0.0000000900000000 ] - [ -0.0017229600000000, 0.0008005800000000, -0.0007426900000000 ] - [ -0.0012475300000000, -0.0002157800000000, -0.0008552900000000 ] - [ -0.0007475300000000, 0.0000029800000000, -0.0002564900000000 ] - [ -0.0006607900000000, -0.0005705600000000, -0.0000860100000000 ] - [ -0.0018672300000000, -0.0001492300000000, -0.0004025500000000 ] - [ -0.0004319800000000, 0.0004036400000000, 0.0002438000000000 ] - [ -0.0017562600000000, -0.0006899800000000, 0.0005401500000000 ] - [ -0.0010350600000000, -0.0001174300000000, -0.0002678100000000 ] - [ -0.0022366800000000, 0.0000765000000000, 0.0000017200000000 ] - [ -0.0006527000000000, -0.0000851000000000, -0.0000571600000000 ] - [ -0.0008367900000000, 0.0003692300000000, 0.0001225600000000 ] - [ 0.0001167100000000, 0.0003964500000000, -0.0001009700000000 ] - [ 0.0000815700000000, -0.0005001400000000, -0.0001298200000000 ] - [ -0.0007277100000000, -0.0004151300000000, 0.0000558300000000 ] - [ -0.0007280800000000, 0.0001176700000000, 0.0003254900000000 ] - [ -0.0005707900000000, 0.0007611200000000, -0.0004396500000000 ] - [ 0.0028206500000000, -0.0012487500000000, 0.0011483400000000 ] - [ 0.0005137400000000, -0.0003639800000000, 0.0008384200000000 ] - [ 0.0025487400000000, -0.0022808200000000, -0.0004053500000000 ] - [ 0.0008055900000000, 0.0008989600000000, -0.0007044900000000 ] - [ -0.0008889600000000, -0.0010111000000000, -0.0010727100000000 ] - [ -0.0114056100000000, 0.0000661700000000, -0.0016820100000000 ] - [ -0.0015293800000000, 0.0011449300000000, -0.0002814800000000 ] - [ -0.0111955800000000, -0.0061121500000000, -0.0009912300000000 ] - [ -0.0008884800000000, -0.0006797500000000, 0.0013102100000000 ] - [ 0.0000308400000000, 0.0003524600000000, -0.0011222600000000 ] - [ -0.0004844200000000, -0.0002746500000000, 0.0006800700000000 ] - [ -0.0004526400000000, 0.0012833600000000, -0.0014139100000000 ] - [ -0.0007225600000000, -0.0007077500000000, -0.0011787900000000 ] - [ -0.0002992900000000, -0.0005937100000000, -0.0000133200000000 ] - [ -0.0019593300000000, -0.0031250100000000, 0.0038556500000000 ] - [ -0.0010523100000000, 0.0019192000000000, 0.0024626800000000 ] - [ 0.0005587800000000, -0.0003054700000000, 0.0001071400000000 ] - [ 0.0010859900000000, -0.0001349400000000, 0.0000892300000000 ] - [ 0.0015795400000000, 0.0003729300000000, -0.0000691600000000 ] - [ 0.0020678000000000, 0.0004475100000000, 0.0001246000000000 ] - [ 0.0000197600000000, -0.0009297300000000, -0.0003510900000000 ] - [ 0.0004511100000000, 0.0001336900000000, 0.0005601300000000 ] - [ 0.0058297800000000, 0.0000535900000000, -0.0015712300000000 ] - [ 0.0048933500000000, 0.0023204300000000, 0.0022840800000000 ] - [ -0.0002778700000000, 0.0000575200000000, -0.0002073200000000 ] - [ -0.0248089600000000, 0.0105785000000000, 0.0160449100000000 ] - [ 0.0010502500000000, 0.0002067200000000, -0.0003542800000000 ] - [ 0.0031550400000000, 0.0014511300000000, -0.0031660400000000 ] - [ 0.0000469900000000, -0.0012993300000000, 0.0003928900000000 ] - [ 0.0043246700000000, 0.0010584900000000, 0.0017972800000000 ] - [ 0.0010408100000000, 0.0000797800000000, 0.0000849900000000 ] - [ 0.0011496900000000, -0.0000048300000000, 0.0000428500000000 ] - [ 0.0000708800000000, 0.0009895600000000, 0.0004456900000000 ] - [ -0.0008681900000000, 0.0007881600000000, 0.0005549600000000 ] - [ -0.0010688900000000, -0.0008540200000000, -0.0018208300000000 ] - [ 0.0006492400000000, 0.0014144300000000, -0.0005238300000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006237600000000, -0.0006118600000000, 0.0000576200000000 ] - [ 0.0032549500000000, -0.0008146600000000, -0.0014760200000000 ] - [ -0.0011173100000000, -0.0005245900000000, -0.0013963700000000 ] - [ 0.0101056500000000, 0.0027481300000000, -0.0003236000000000 ] - [ -0.0001905600000000, -0.0014096500000000, 0.0006221500000000 ] - [ 0.0007529400000000, -0.0021885500000000, 0.0003126200000000 ] - [ -0.0003182200000000, -0.0016808800000000, 0.0006696900000000 ] - [ 0.0004836400000000, -0.0033573200000000, -0.0006927900000000 ] - [ -0.0007627300000000, -0.0013273900000000, 0.0001700300000000 ] - [ 0.0006901000000000, -0.0005974100000000, 0.0006210600000000 ] - [ 0.0009572900000000, -0.0045618200000000, -0.0011480600000000 ] - [ -0.0004663300000000, -0.0026923100000000, 0.0007776800000000 ] - [ -0.0046379100000000, 0.0008467200000000, -0.0035714400000000 ] - [ 0.0002198400000000, -0.0008870100000000, 0.0006393700000000 ] - [ -0.0130800900000000, 0.0079730700000000, 0.0006189100000000 ] - [ 0.0011028900000000, 0.0001349100000000, -0.0013076000000000 ] - [ -0.0015808900000000, -0.0001103900000000, 0.0015092200000000 ] - [ 0.0011353800000000, 0.0003120600000000, 0.0017340200000000 ] - [ 0.0034976800000000, 0.0186925000000000, -0.0061098600000000 ] - [ -0.0005904800000000, 0.0007882000000000, 0.0020161500000000 ] - [ 0.0025473000000000, 0.0133219600000000, 0.0094844400000000 ] - [ -0.0005262700000000, 0.0006459200000000, -0.0004751000000000 ] - [ 0.0004531500000000, 0.0069403300000000, -0.0085580400000000 ] - [ -0.0000649200000000, 0.0019781800000000, -0.0043212600000000 ] - [ 0.0067449800000000, -0.1872596200000000, -0.0964955000000000 ] - [ 0.0005652300000000, -0.0064706800000000, 0.0008566200000000 ] - [ -0.0002882900000000, -0.0044927400000000, 0.0141066600000000 ] - [ -0.0005876400000000, -0.0026370900000000, 0.0023089300000000 ] - [ 0.0084400400000000, 0.0094122100000000, 0.0121917100000000 ] - [ -0.0164041800000000, 0.0117281200000000, 0.0063968400000000 ] - [ -0.0002413000000000, 0.0006907300000000, 0.0002482600000000 ] - [ 0.0015017300000000, 0.0010306100000000, 0.0008436600000000 ] - [ -0.0010434400000000, 0.0009561400000000, 0.0015724100000000 ] - [ 0.0015257500000000, 0.0010229600000000, -0.0005730700000000 ] - [ -0.0000302100000000, 0.0016772000000000, -0.0001690800000000 ] - [ 0.0008757900000000, 0.0038822300000000, -0.0010673900000000 ] - [ -0.0000435400000000, 0.0031811600000000, -0.0015451900000000 ] - [ 0.0003620600000000, 0.0050040300000000, 0.0002284300000000 ] - [ -0.0003647100000000, 0.0053059700000000, -0.0003573000000000 ] - [ 0.0006052400000000, 0.0026650800000000, 0.0003879300000000 ] - [ 0.0010649200000000, 0.0050873500000000, 0.0009012600000000 ] - [ -0.0005380700000000, 0.0021954900000000, -0.0010423800000000 ] - [ -0.0017729000000000, 0.0002691400000000, 0.0011092500000000 ] - [ 0.0004294600000000, 0.0000896700000000, 0.0002453000000000 ] - [ -0.0028321500000000, 0.0000272600000000, -0.0012142300000000 ] - [ 0.0021313700000000, 0.0003439900000000, 0.0014555500000000 ] - [ -0.0007283700000000, -0.0000771000000000, -0.0001148600000000 ] - [ 0.0005676900000000, -0.0001873400000000, -0.0001762400000000 ] - [ 0.0000643400000000, 0.0001755500000000, 0.0000224700000000 ] - [ 0.0002579700000000, -0.0001046000000000, 0.0000393500000000 ] - [ 0.0000289800000000, -0.0007929200000000, 0.0002196200000000 ] - [ -0.0000170900000000, -0.0006485600000000, -0.0001109400000000 ] - [ -0.0001368700000000, 0.0008061400000000, 0.0000617800000000 ] - [ 0.0000422800000000, 0.0000970100000000, 0.0005568500000000 ] - [ -0.0003912800000000, 0.0021853700000000, 0.0002565700000000 ] - [ 0.0004215600000000, 0.0019281800000000, -0.0006138800000000 ] - [ 0.0005237500000000, 0.0009920100000000, -0.0000509600000000 ] - [ -0.0004394000000000, 0.0005884500000000, 0.0001541000000000 ] - [ 0.0012718000000000, 0.0006700200000000, -0.0006972500000000 ] - [ -0.0016698700000000, 0.0011164900000000, -0.0009422800000000 ] - [ 0.0022203800000000, 0.0027728200000000, 0.0002248300000000 ] - [ -0.0006302700000000, 0.0012856100000000, -0.0004194700000000 ] - [ 0.0053227600000000, 0.0032189700000000, -0.0002288100000000 ] - [ -0.0007603000000000, 0.0020207000000000, 0.0002631500000000 ] - [ 0.0002730100000000, 0.0031214000000000, -0.0003484500000000 ] - [ 0.0011902000000000, 0.0179926500000000, 0.0020190400000000 ] - [ -0.0003271400000000, 0.0036623800000000, 0.0047063000000000 ] - [ 0.0077005200000000, 0.0516352600000000, 0.0071019200000000 ] - [ 0.0010593100000000, -0.0023595200000000, 0.0012429800000000 ] - [ -0.0011044200000000, -0.0014834700000000, 0.0004099700000000 ] - [ 0.0038191500000000, -0.0055051000000000, 0.0033062400000000 ] - [ -0.0038883800000000, -0.0046232200000000, 0.0034436100000000 ] - [ 0.0042379000000000, -0.0069462900000000, -0.0029012400000000 ] - [ -0.0003241400000000, -0.0026418700000000, -0.0001933400000000 ] - [ 0.0055680000000000, -0.0079656000000000, 0.0053334800000000 ] - [ -0.0000832600000000, -0.0042639100000000, -0.0053277500000000 ] - [ -0.0001402800000000, -0.0014682900000000, -0.0001841200000000 ] - [ -0.0000835100000000, -0.0023376500000000, -0.0002799300000000 ] - [ -0.0001406100000000, -0.0012256500000000, -0.0006222800000000 ] - [ 0.0000845000000000, -0.0015544600000000, 0.0007218000000000 ] - [ 0.0009352800000000, 0.0005547200000000, -0.0010038500000000 ] - [ -0.0009761500000000, 0.0004883600000000, -0.0013309600000000 ] - [ 0.0068235000000000, 0.0042855400000000, -0.0003697500000000 ] - [ -0.0060190400000000, 0.0033592900000000, 0.0006962900000000 ] - [ 0.0008360700000000, -0.0010977000000000, -0.0051227600000000 ] - [ -0.0091303900000000, 0.0676103600000000, 0.0630894700000000 ] - [ 0.0007673200000000, 0.0020977500000000, -0.0003530400000000 ] - [ -0.0021349500000000, 0.0038668000000000, -0.0003194100000000 ] - [ 0.0006101400000000, 0.0016662900000000, 0.0000743500000000 ] - [ -0.0049256800000000, 0.0042863500000000, -0.0018579700000000 ] - [ -0.0000147500000000, -0.0009933700000000, -0.0001923400000000 ] - [ 0.0001754400000000, -0.0022100600000000, 0.0004546200000000 ] - [ 0.0008461400000000, -0.0020720200000000, 0.0006770900000000 ] - [ -0.0061898600000000, -0.0071162700000000, -0.0005362000000000 ] - [ 0.0001445600000000, -0.0040289700000000, -0.0019991500000000 ] - [ -0.0068779800000000, -0.0081078800000000, 0.0009798700000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003103900000000, 0.0006314000000000, -0.0000076300000000 ] - [ -0.0029569100000000, 0.0008201300000000, 0.0014353900000000 ] - [ 0.0014512000000000, 0.0005285500000000, 0.0013557500000000 ] - [ -0.0105759300000000, -0.0027600000000000, 0.0003943200000000 ] - [ 0.0003007800000000, 0.0012074300000000, -0.0002863700000000 ] - [ -0.0008655400000000, 0.0020026600000000, -0.0006705300000000 ] - [ 0.0002185100000000, 0.0019053900000000, -0.0010228100000000 ] - [ -0.0004161900000000, 0.0035964900000000, 0.0010529000000000 ] - [ -0.0004379100000000, 0.0026181700000000, -0.0001519900000000 ] - [ 0.0005109400000000, 0.0018785400000000, -0.0006418100000000 ] - [ 0.0002537200000000, 0.0033277500000000, 0.0011426000000000 ] - [ -0.0007401500000000, 0.0014383000000000, -0.0007740100000000 ] - [ 0.0047881500000000, -0.0012511700000000, 0.0035739300000000 ] - [ -0.0003572300000000, 0.0005175900000000, -0.0006372900000000 ] - [ 0.0131724400000000, -0.0076792300000000, -0.0006071600000000 ] - [ -0.0009836900000000, 0.0002411700000000, 0.0013151100000000 ] - [ 0.0015743600000000, -0.0005454400000000, -0.0012475300000000 ] - [ -0.0011283200000000, -0.0009822000000000, -0.0020414000000000 ] - [ -0.0038608300000000, -0.0180221000000000, 0.0053961600000000 ] - [ 0.0009959700000000, -0.0004276400000000, -0.0014064200000000 ] - [ -0.0021791200000000, -0.0139206400000000, -0.0090232200000000 ] - [ 0.0001209700000000, -0.0010210000000000, -0.0001427500000000 ] - [ -0.0004589700000000, -0.0068104300000000, 0.0087216500000000 ] - [ 0.0000673600000000, -0.0022152800000000, 0.0043786300000000 ] - [ -0.0066884000000000, 0.1903655400000000, 0.0952234900000000 ] - [ 0.0003271100000000, 0.0073332400000000, -0.0012795500000000 ] - [ 0.0011661500000000, 0.0037635100000000, -0.0144511000000000 ] - [ -0.0002836100000000, 0.0018490900000000, -0.0021431800000000 ] - [ -0.0083763700000000, -0.0087401100000000, -0.0118235700000000 ] - [ 0.0162913100000000, -0.0110597100000000, -0.0065872700000000 ] - [ -0.0000886100000000, -0.0006746800000000, -0.0001963300000000 ] - [ -0.0011897900000000, -0.0010170300000000, -0.0009107000000000 ] - [ 0.0013805800000000, -0.0009830000000000, -0.0016311700000000 ] - [ -0.0018510900000000, -0.0010613800000000, 0.0006362200000000 ] - [ 0.0001424300000000, -0.0019111600000000, 0.0005141400000000 ] - [ -0.0009701000000000, -0.0041284600000000, 0.0007011900000000 ] - [ -0.0000658600000000, -0.0029942900000000, 0.0012158600000000 ] - [ -0.0002635400000000, -0.0048257400000000, 0.0001166100000000 ] - [ -0.0008520300000000, -0.0040899700000000, 0.0003589900000000 ] - [ 0.0005932300000000, -0.0014149200000000, -0.0004036400000000 ] - [ 0.0001486400000000, -0.0063795800000000, -0.0009095300000000 ] - [ -0.0006626000000000, -0.0034927000000000, 0.0010751900000000 ] - [ 0.0019178000000000, -0.0006262000000000, -0.0011318000000000 ] - [ -0.0005494300000000, -0.0004507100000000, -0.0002401000000000 ] - [ 0.0027220700000000, 0.0003246500000000, 0.0012264300000000 ] - [ -0.0020228800000000, 0.0000125500000000, -0.0014669200000000 ] - [ 0.0007182800000000, -0.0005985200000000, 0.0004009100000000 ] - [ -0.0005578200000000, -0.0004884700000000, -0.0001105500000000 ] - [ -0.0004777500000000, 0.0002060300000000, -0.0006402500000000 ] - [ 0.0001400100000000, 0.0004943300000000, 0.0005788000000000 ] - [ 0.0003715200000000, 0.0004076600000000, 0.0003973000000000 ] - [ -0.0003888000000000, 0.0002692200000000, -0.0005046200000000 ] - [ 0.0001363700000000, -0.0006112800000000, -0.0000588900000000 ] - [ -0.0000425200000000, -0.0002985500000000, -0.0005655600000000 ] - [ -0.0004810300000000, -0.0013722600000000, -0.0000464700000000 ] - [ 0.0004522500000000, -0.0011094200000000, 0.0004066600000000 ] - [ 0.0003492400000000, -0.0018378800000000, -0.0001655500000000 ] - [ -0.0004330200000000, -0.0014228700000000, 0.0000537800000000 ] - [ -0.0012994800000000, 0.0000022600000000, 0.0009957300000000 ] - [ 0.0017072800000000, -0.0004486300000000, 0.0006679800000000 ] - [ -0.0021811000000000, -0.0036625100000000, -0.0008194900000000 ] - [ 0.0005791000000000, -0.0021676400000000, 0.0010110100000000 ] - [ -0.0054378800000000, -0.0024053000000000, 0.0008131600000000 ] - [ 0.0008276600000000, -0.0011685800000000, -0.0008551600000000 ] - [ -0.0003114300000000, -0.0036521900000000, 0.0004879400000000 ] - [ -0.0011358600000000, -0.0184847900000000, -0.0025763900000000 ] - [ 0.0003695200000000, -0.0032636400000000, -0.0048143600000000 ] - [ -0.0082587000000000, -0.0548963000000000, -0.0081511900000000 ] - [ -0.0014890900000000, 0.0018026900000000, -0.0009570100000000 ] - [ 0.0015338300000000, 0.0009243100000000, -0.0006755500000000 ] - [ -0.0034539000000000, 0.0061341500000000, -0.0036467100000000 ] - [ 0.0035252700000000, 0.0052552400000000, -0.0032143200000000 ] - [ -0.0042350500000000, 0.0061170800000000, 0.0023604200000000 ] - [ 0.0002599500000000, 0.0017807600000000, 0.0007847600000000 ] - [ -0.0056109600000000, 0.0089213200000000, -0.0047783400000000 ] - [ 0.0001618500000000, 0.0051831000000000, 0.0047620500000000 ] - [ 0.0001055100000000, 0.0009252200000000, 0.0002658000000000 ] - [ 0.0001194100000000, 0.0018086500000000, 0.0002089800000000 ] - [ 0.0001794700000000, 0.0017886100000000, 0.0005467300000000 ] - [ -0.0001252100000000, 0.0021238700000000, -0.0006462200000000 ] - [ -0.0013539000000000, -0.0011661800000000, 0.0013010200000000 ] - [ 0.0013954500000000, -0.0010978800000000, 0.0010690800000000 ] - [ -0.0064599900000000, -0.0036928500000000, 0.0000927000000000 ] - [ 0.0056547100000000, -0.0027465600000000, -0.0004080200000000 ] - [ -0.0008462700000000, 0.0011041300000000, 0.0051748300000000 ] - [ 0.0086617400000000, -0.0662333300000000, -0.0598252800000000 ] - [ 0.0001768900000000, -0.0012481200000000, 0.0008752000000000 ] - [ 0.0012125200000000, -0.0030160400000000, -0.0002125900000000 ] - [ -0.0015632200000000, -0.0025478600000000, -0.0005800900000000 ] - [ 0.0059196700000000, -0.0052145100000000, 0.0023920300000000 ] - [ 0.0000162300000000, 0.0010423900000000, 0.0002001700000000 ] - [ -0.0001781300000000, 0.0021918700000000, -0.0004615800000000 ] - [ 0.0001110900000000, 0.0029410600000000, -0.0001714400000000 ] - [ 0.0053233700000000, 0.0080456500000000, 0.0000320300000000 ] - [ -0.0011159200000000, 0.0032075000000000, 0.0014876500000000 ] - [ 0.0077998500000000, 0.0072976200000000, -0.0004798500000000 ]- atom: 25 displacement: [ -0.0005876189178017, 0.0000000000000000, 0.0099827202709202 ] forces: - [ -0.0004383700000000, 0.0006688400000000, 0.0021263700000000 ] - [ -0.0059320300000000, -0.0020970100000000, 0.0015802800000000 ] - [ 0.0014876900000000, -0.0013270600000000, 0.0001385300000000 ] - [ 0.0017735300000000, -0.0000001100000000, -0.0021718000000000 ] - [ 0.0000730200000000, -0.0006566100000000, 0.0014245400000000 ] - [ 0.0008101800000000, 0.0002519100000000, -0.0003572200000000 ] - [ -0.0009964500000000, -0.0003753300000000, 0.0007367500000000 ] - [ -0.0004281800000000, -0.0006228000000000, -0.0025271900000000 ] - [ -0.0013779000000000, 0.0012520400000000, 0.0000325300000000 ] - [ 0.0006810700000000, 0.0001107300000000, 0.0011101500000000 ] - [ 0.0003158900000000, -0.0017459700000000, -0.0021197700000000 ] - [ 0.0002581700000000, -0.0012096600000000, 0.0008077500000000 ] - [ 0.0087739900000000, -0.0059376700000000, 0.0010331600000000 ] - [ 0.0004237200000000, 0.0003468600000000, 0.0030951400000000 ] - [ -0.0034944600000000, 0.0022038400000000, -0.0024251500000000 ] - [ -0.0014659900000000, -0.0013020000000000, 0.0004036600000000 ] - [ -0.0020002500000000, 0.0011737400000000, 0.0016313900000000 ] - [ 0.0012830100000000, 0.0015266300000000, 0.0025606600000000 ] - [ -0.0005245200000000, -0.0071124000000000, -0.0047470800000000 ] - [ -0.0008970500000000, 0.0019020200000000, 0.0026401300000000 ] - [ 0.0007081100000000, 0.0023857200000000, 0.0020817800000000 ] - [ -0.0002632100000000, -0.0012419700000000, 0.0011964200000000 ] - [ -0.0000958500000000, -0.0031363800000000, -0.0036296200000000 ] - [ -0.0000716900000000, -0.0049885700000000, 0.0133698500000000 ] - [ 0.0200228300000000, -0.0986001100000000, -0.1973899900000000 ] - [ -0.0026002800000000, -0.0006704400000000, 0.0270956200000000 ] - [ 0.0010610200000000, 0.0137487800000000, 0.0208870400000000 ] - [ -0.0008168600000000, -0.0026528200000000, 0.0072287300000000 ] - [ 0.0088943900000000, 0.0128481300000000, 0.0074944000000000 ] - [ -0.0116556100000000, 0.0133747200000000, -0.0020822100000000 ] - [ -0.0000147800000000, 0.0002280600000000, 0.0009661100000000 ] - [ 0.0007379600000000, 0.0000412400000000, -0.0000606000000000 ] - [ -0.0009580100000000, 0.0005148100000000, 0.0012110100000000 ] - [ -0.0004613000000000, 0.0004026400000000, -0.0021279400000000 ] - [ -0.0001106100000000, -0.0004755800000000, 0.0020591500000000 ] - [ -0.0005391500000000, -0.0004319200000000, -0.0000757500000000 ] - [ 0.0001685000000000, 0.0012691500000000, -0.0002863700000000 ] - [ 0.0004019200000000, 0.0004114500000000, -0.0011031800000000 ] - [ -0.0000425200000000, 0.0004645900000000, -0.0008440200000000 ] - [ 0.0005482800000000, 0.0005638000000000, 0.0024306500000000 ] - [ 0.0001782100000000, -0.0009759700000000, -0.0014075400000000 ] - [ -0.0009110100000000, 0.0002074600000000, 0.0003795200000000 ] - [ -0.0007603000000000, -0.0001014200000000, 0.0001055900000000 ] - [ 0.0000174500000000, -0.0002076400000000, 0.0009241500000000 ] - [ -0.0003984600000000, 0.0000010700000000, -0.0026610200000000 ] - [ 0.0021499800000000, 0.0002504800000000, 0.0013450400000000 ] - [ 0.0010926300000000, -0.0006260900000000, 0.0008726200000000 ] - [ -0.0005512200000000, -0.0001536700000000, 0.0010814400000000 ] - [ -0.0003148500000000, 0.0002731500000000, -0.0006803200000000 ] - [ 0.0004152900000000, -0.0002353300000000, 0.0005534000000000 ] - [ -0.0002120700000000, -0.0007360700000000, -0.0003152600000000 ] - [ -0.0001133600000000, -0.0002192400000000, 0.0004362200000000 ] - [ -0.0000182400000000, 0.0009670200000000, -0.0008160200000000 ] - [ -0.0000356900000000, 0.0001774900000000, 0.0005821200000000 ] - [ -0.0004750700000000, 0.0005628300000000, -0.0003800900000000 ] - [ 0.0004144600000000, 0.0009226200000000, -0.0002165700000000 ] - [ 0.0004401100000000, -0.0003547200000000, -0.0002042100000000 ] - [ -0.0004062400000000, -0.0004601100000000, 0.0008915900000000 ] - [ -0.0002655500000000, 0.0002989200000000, -0.0003681600000000 ] - [ -0.0001112400000000, 0.0006392500000000, -0.0010121100000000 ] - [ -0.0034328700000000, -0.0004626500000000, 0.0011475700000000 ] - [ -0.0006435300000000, -0.0002432200000000, -0.0019454000000000 ] - [ 0.0015223600000000, 0.0004207800000000, 0.0016080100000000 ] - [ 0.0009361300000000, 0.0012946300000000, -0.0009007400000000 ] - [ 0.0003163500000000, -0.0048887700000000, -0.0127774100000000 ] - [ -0.0024736700000000, 0.0035769000000000, 0.0140430000000000 ] - [ -0.0003945600000000, 0.0115782600000000, -0.0049172900000000 ] - [ 0.0015281500000000, 0.0130754200000000, 0.0173118800000000 ] - [ -0.0025589600000000, 0.0018685600000000, -0.0031964300000000 ] - [ 0.0027517300000000, 0.0017829100000000, -0.0040440900000000 ] - [ -0.0008004900000000, 0.0006588000000000, 0.0031327700000000 ] - [ 0.0006332800000000, 0.0004716100000000, 0.0021246700000000 ] - [ 0.0014458600000000, -0.0016996800000000, -0.0001542100000000 ] - [ 0.0004739300000000, -0.0006544200000000, -0.0020143800000000 ] - [ -0.0024124400000000, -0.0004077500000000, 0.0089502500000000 ] - [ -0.0005002200000000, -0.0036458600000000, -0.0060553900000000 ] - [ -0.0001361200000000, -0.0002860400000000, -0.0007305600000000 ] - [ 0.0001257800000000, -0.0006984400000000, 0.0001189400000000 ] - [ -0.0002384400000000, -0.0005268200000000, -0.0006507700000000 ] - [ 0.0003525400000000, 0.0002846400000000, 0.0014110300000000 ] - [ 0.0009841100000000, -0.0003845600000000, -0.0017745100000000 ] - [ -0.0010283500000000, -0.0003823000000000, -0.0016356700000000 ] - [ 0.0061323000000000, 0.0017112100000000, 0.0011854800000000 ] - [ -0.0064048900000000, 0.0013117600000000, 0.0032606800000000 ] - [ 0.0016971700000000, -0.0047804800000000, -0.0101046100000000 ] - [ -0.0150399700000000, 0.0612738400000000, 0.1142722200000000 ] - [ 0.0007958500000000, 0.0006149300000000, -0.0016317900000000 ] - [ 0.0036774700000000, -0.0005180400000000, 0.0017126300000000 ] - [ -0.0017077400000000, 0.0003164700000000, -0.0016141200000000 ] - [ -0.0005387200000000, 0.0001745300000000, 0.0016678200000000 ] - [ -0.0002920800000000, 0.0006406100000000, -0.0009274000000000 ] - [ 0.0002453600000000, -0.0002215200000000, 0.0008462900000000 ] - [ 0.0000149500000000, 0.0003823500000000, -0.0010922400000000 ] - [ -0.0025567000000000, -0.0007476700000000, 0.0008104500000000 ] - [ 0.0009192800000000, -0.0027408600000000, -0.0030247000000000 ] - [ 0.0032340500000000, 0.0005155500000000, 0.0030836800000000 ]- atom: 25 displacement: [ 0.0005876189178017, 0.0000000000000000, -0.0099827202709202 ] forces: - [ 0.0000865200000000, -0.0006470800000000, -0.0020757500000000 ] - [ 0.0063209100000000, 0.0021323200000000, -0.0016324800000000 ] - [ -0.0011492500000000, 0.0012992900000000, -0.0002059500000000 ] - [ -0.0020483200000000, 0.0000251800000000, 0.0022217300000000 ] - [ 0.0000401700000000, 0.0004359900000000, -0.0010784200000000 ] - [ -0.0009186400000000, -0.0004731800000000, 0.0000232800000000 ] - [ 0.0008834300000000, 0.0005865300000000, -0.0011016900000000 ] - [ 0.0005098500000000, 0.0008210900000000, 0.0028959500000000 ] - [ 0.0001833000000000, 0.0000006200000000, -0.0000073400000000 ] - [ 0.0005146000000000, 0.0011471900000000, -0.0011218900000000 ] - [ 0.0008994500000000, 0.0004584300000000, 0.0021061600000000 ] - [ -0.0014552800000000, -0.0000578100000000, -0.0008013100000000 ] - [ -0.0087518900000000, 0.0056122800000000, -0.0010119100000000 ] - [ -0.0005183500000000, -0.0006992200000000, -0.0030932100000000 ] - [ 0.0033029700000000, -0.0017818800000000, 0.0024465100000000 ] - [ 0.0015737600000000, 0.0016541500000000, -0.0004249100000000 ] - [ 0.0020084400000000, -0.0018758900000000, -0.0013344000000000 ] - [ -0.0012910200000000, -0.0022275900000000, -0.0028528400000000 ] - [ 0.0001152400000000, 0.0074690400000000, 0.0042015500000000 ] - [ 0.0012933500000000, -0.0015021100000000, -0.0020391900000000 ] - [ -0.0002756600000000, -0.0026529100000000, -0.0013896200000000 ] - [ -0.0001464200000000, 0.0008574300000000, -0.0018114000000000 ] - [ 0.0000972100000000, 0.0033343800000000, 0.0035926500000000 ] - [ 0.0000667700000000, 0.0048646600000000, -0.0135075300000000 ] - [ -0.0199550700000000, 0.0935943200000000, 0.1936859100000000 ] - [ 0.0033944600000000, 0.0014507400000000, -0.0268291000000000 ] - [ -0.0002274000000000, -0.0148511100000000, -0.0213859100000000 ] - [ -0.0000496500000000, 0.0018068100000000, -0.0070246700000000 ] - [ -0.0087850200000000, -0.0120481400000000, -0.0071853400000000 ] - [ 0.0116010600000000, -0.0126380600000000, 0.0017419400000000 ] - [ -0.0003005000000000, -0.0002014700000000, -0.0009075900000000 ] - [ -0.0004120900000000, -0.0000124200000000, 0.0000125300000000 ] - [ 0.0012849300000000, -0.0005404300000000, -0.0012812800000000 ] - [ 0.0001284800000000, -0.0004194400000000, 0.0021848700000000 ] - [ 0.0002161300000000, 0.0002696600000000, -0.0017165900000000 ] - [ 0.0004231300000000, 0.0002334400000000, -0.0002498000000000 ] - [ -0.0002751400000000, -0.0010509000000000, -0.0000827100000000 ] - [ -0.0002907500000000, -0.0001854500000000, 0.0014568900000000 ] - [ -0.0011498300000000, 0.0008253500000000, 0.0008717000000000 ] - [ 0.0006545400000000, 0.0007094300000000, -0.0024533300000000 ] - [ 0.0010190300000000, -0.0002826100000000, 0.0013898000000000 ] - [ -0.0002902600000000, -0.0014691000000000, -0.0003767400000000 ] - [ 0.0008709800000000, -0.0002586800000000, -0.0000995700000000 ] - [ -0.0001415700000000, -0.0001523500000000, -0.0009161900000000 ] - [ 0.0002793100000000, 0.0003612300000000, 0.0026776600000000 ] - [ -0.0020258700000000, 0.0001116400000000, -0.0013603800000000 ] - [ -0.0011131100000000, -0.0000473100000000, -0.0005848700000000 ] - [ 0.0005761700000000, -0.0005163100000000, -0.0013668400000000 ] - [ -0.0000815300000000, 0.0001141500000000, 0.0000694000000000 ] - [ -0.0000112200000000, 0.0006150000000000, 0.0000581600000000 ] - [ 0.0006263300000000, 0.0003574400000000, 0.0009393300000000 ] - [ -0.0002917600000000, -0.0001593000000000, -0.0010559600000000 ] - [ 0.0000221600000000, -0.0007671900000000, 0.0008121700000000 ] - [ 0.0000362400000000, -0.0003816400000000, -0.0005763900000000 ] - [ -0.0003961600000000, 0.0002692800000000, 0.0005878500000000 ] - [ 0.0004575400000000, -0.0000908800000000, 0.0000015900000000 ] - [ 0.0004318800000000, -0.0004653000000000, 0.0000005500000000 ] - [ -0.0004648000000000, -0.0003628500000000, -0.0006861500000000 ] - [ 0.0002568800000000, 0.0003759500000000, 0.0006424700000000 ] - [ 0.0001165400000000, 0.0000403900000000, 0.0007183400000000 ] - [ 0.0035213700000000, -0.0003989900000000, -0.0017600100000000 ] - [ 0.0005582200000000, -0.0006312900000000, 0.0025373600000000 ] - [ -0.0015612300000000, 0.0004598600000000, -0.0010346000000000 ] - [ -0.0008568500000000, -0.0004085400000000, 0.0003230600000000 ] - [ -0.0003478300000000, 0.0043137000000000, 0.0128576900000000 ] - [ 0.0026388400000000, -0.0032254900000000, -0.0158542000000000 ] - [ 0.0004183700000000, -0.0109417900000000, 0.0048545800000000 ] - [ -0.0015506300000000, -0.0126200100000000, -0.0171778700000000 ] - [ 0.0021914300000000, -0.0024879900000000, 0.0034678800000000 ] - [ -0.0023844200000000, -0.0024070500000000, 0.0037648500000000 ] - [ 0.0012044600000000, -0.0000903100000000, -0.0033733300000000 ] - [ -0.0010363300000000, 0.0000990400000000, -0.0018097700000000 ] - [ -0.0013490500000000, 0.0008025200000000, -0.0004687900000000 ] - [ -0.0005394000000000, -0.0002221800000000, 0.0026069500000000 ] - [ 0.0023293300000000, 0.0012859200000000, -0.0083979500000000 ] - [ 0.0005654100000000, 0.0045159300000000, 0.0054795500000000 ] - [ 0.0001025200000000, -0.0002659400000000, 0.0008156300000000 ] - [ -0.0000955500000000, 0.0001382900000000, -0.0002102800000000 ] - [ 0.0002674200000000, 0.0010731800000000, 0.0005746400000000 ] - [ -0.0003858000000000, 0.0002627500000000, -0.0013338000000000 ] - [ -0.0013922700000000, -0.0002008600000000, 0.0020414600000000 ] - [ 0.0014386100000000, -0.0002012100000000, 0.0013424300000000 ] - [ -0.0057576600000000, -0.0011187100000000, -0.0014439500000000 ] - [ 0.0060057800000000, -0.0007077600000000, -0.0029581600000000 ] - [ -0.0017072600000000, 0.0048618900000000, 0.0101031200000000 ] - [ 0.0141127600000000, -0.0564607500000000, -0.1087763700000000 ] - [ 0.0001753200000000, 0.0002516600000000, 0.0021523100000000 ] - [ -0.0046579600000000, 0.0014069100000000, -0.0022668300000000 ] - [ 0.0007461200000000, -0.0011733500000000, 0.0011092800000000 ] - [ 0.0014523700000000, -0.0010276400000000, -0.0011834300000000 ] - [ 0.0002910000000000, -0.0006191600000000, 0.0009210700000000 ] - [ -0.0002435300000000, 0.0001825800000000, -0.0008401000000000 ] - [ 0.0009331400000000, 0.0004766400000000, 0.0016052300000000 ] - [ 0.0015647900000000, 0.0015732700000000, -0.0013324700000000 ] - [ -0.0018621500000000, 0.0018779600000000, 0.0025330900000000 ] - [ -0.0022645800000000, -0.0013878600000000, -0.0025780000000000 ]- atom: 61 displacement: [ 0.0099999882271062, 0.0000000000000000, 0.0000153446321733 ] forces: - [ 0.0014591800000000, 0.0007364900000000, 0.0034244400000000 ] - [ -0.0150378500000000, 0.0003765700000000, -0.0013698700000000 ] - [ -0.0011292400000000, -0.0003420500000000, -0.0002149900000000 ] - [ 0.0018177100000000, -0.0004838000000000, -0.0004731700000000 ] - [ -0.0004061800000000, -0.0007069400000000, -0.0010279300000000 ] - [ 0.0130803100000000, -0.0054048900000000, -0.0018907300000000 ] - [ 0.0008246000000000, 0.0002189600000000, 0.0005773100000000 ] - [ -0.0054677900000000, -0.0042248200000000, 0.0061584000000000 ] - [ -0.0060711500000000, -0.0084094800000000, -0.0022537700000000 ] - [ 0.0020847500000000, 0.0007835200000000, 0.0005072200000000 ] - [ 0.0127940200000000, -0.0001812100000000, -0.0012714100000000 ] - [ -0.0007945100000000, -0.0011969700000000, 0.0008206700000000 ] - [ 0.0474817500000000, 0.0071485000000000, -0.0027261500000000 ] - [ -0.0033652100000000, -0.0003542400000000, 0.0000784400000000 ] - [ -0.0034591200000000, -0.0001942600000000, -0.0000357200000000 ] - [ 0.0006244400000000, -0.0001680500000000, 0.0000238800000000 ] - [ -0.0028730500000000, 0.0002546300000000, 0.0001636800000000 ] - [ 0.0004140300000000, 0.0002537600000000, 0.0005135100000000 ] - [ -0.0075922600000000, -0.0034021100000000, -0.0026889500000000 ] - [ -0.0009595100000000, -0.0002036200000000, 0.0004780000000000 ] - [ -0.0014342900000000, -0.0006734700000000, 0.0000556300000000 ] - [ -0.0011274200000000, 0.0000698200000000, -0.0002841300000000 ] - [ -0.0009093500000000, 0.0006293800000000, -0.0004792000000000 ] - [ -0.0078522000000000, -0.0019916700000000, 0.0054630700000000 ] - [ -0.0032175100000000, 0.0026324900000000, -0.0035527100000000 ] - [ -0.0001113200000000, 0.0010265500000000, -0.0007441700000000 ] - [ -0.0021529500000000, 0.0049816400000000, 0.0012935200000000 ] - [ -0.0012001700000000, 0.0003794100000000, 0.0009595200000000 ] - [ -0.0031512600000000, -0.0000776200000000, -0.0004524000000000 ] - [ 0.0012779400000000, 0.0008060400000000, -0.0042681100000000 ] - [ -0.0008438900000000, -0.0006823200000000, -0.0007162700000000 ] - [ 0.0030568900000000, -0.0008422400000000, 0.0001209800000000 ] - [ 0.0023888400000000, 0.0001606700000000, 0.0007006300000000 ] - [ -0.0063790200000000, 0.0031046000000000, 0.0022579700000000 ] - [ 0.0000972400000000, -0.0031028800000000, 0.0038234700000000 ] - [ -0.0020622900000000, -0.0000889500000000, -0.0001228600000000 ] - [ -0.0005811900000000, 0.0000053600000000, -0.0001602600000000 ] - [ 0.0011301400000000, -0.0040873900000000, -0.0011725400000000 ] - [ -0.0002170100000000, -0.0065146000000000, -0.0007133100000000 ] - [ -0.0003229000000000, 0.0007215000000000, -0.0001866900000000 ] - [ -0.0010224200000000, -0.0008593300000000, -0.0002717400000000 ] - [ -0.0004531100000000, -0.0010283500000000, 0.0004675400000000 ] - [ -0.0012100000000000, -0.0018365900000000, -0.0002289800000000 ] - [ 0.0014261300000000, -0.0000978500000000, 0.0003367900000000 ] - [ 0.0255355000000000, 0.0020555400000000, 0.0012454700000000 ] - [ -0.0010497500000000, 0.0008106600000000, 0.0004992700000000 ] - [ 0.0194367300000000, -0.0023616800000000, 0.0022542800000000 ] - [ -0.0028417900000000, 0.0017821500000000, -0.0053611400000000 ] - [ 0.0026094600000000, 0.0002204900000000, -0.0006298200000000 ] - [ 0.0009748100000000, 0.0000081300000000, 0.0003546600000000 ] - [ 0.0315531200000000, -0.0029968100000000, 0.0019177000000000 ] - [ 0.0015734000000000, -0.0002838600000000, -0.0006091200000000 ] - [ 0.0020430900000000, 0.0006589000000000, 0.0036581600000000 ] - [ 0.0018584100000000, 0.0000062500000000, -0.0005603100000000 ] - [ 0.0003263700000000, 0.0046327600000000, 0.0015453700000000 ] - [ 0.0006921900000000, 0.0007088000000000, 0.0004127500000000 ] - [ 0.0023255900000000, 0.0051618400000000, -0.0023436800000000 ] - [ 0.0006455300000000, -0.0002878600000000, -0.0003764300000000 ] - [ 0.0015424700000000, 0.0006974300000000, 0.0006617700000000 ] - [ -0.0006353000000000, -0.0002696600000000, 0.0008217100000000 ] - [ -0.1661219600000000, -0.0047846800000000, 0.0053331800000000 ] - [ 0.0014551200000000, -0.0002132400000000, 0.0033142700000000 ] - [ 0.0019068400000000, 0.0070296400000000, -0.0021703300000000 ] - [ -0.0013281300000000, 0.0002844600000000, -0.0009184900000000 ] - [ 0.0024927000000000, -0.0009756700000000, -0.0025596700000000 ] - [ 0.0332585100000000, -0.0056024000000000, -0.0003283900000000 ] - [ 0.0010402100000000, -0.0008303500000000, -0.0001530000000000 ] - [ 0.0022741100000000, -0.0039488100000000, 0.0021623500000000 ] - [ -0.0013014100000000, 0.0174770400000000, -0.0234299600000000 ] - [ 0.0078883200000000, -0.0009400400000000, 0.0014029800000000 ] - [ 0.0020752800000000, 0.0005438000000000, -0.0001807000000000 ] - [ -0.0012155300000000, 0.0015518200000000, 0.0013916700000000 ] - [ 0.0032777900000000, -0.0002437300000000, -0.0001736500000000 ] - [ -0.0002633500000000, 0.0009049100000000, -0.0005222400000000 ] - [ -0.0001392800000000, 0.0242640900000000, 0.0199944600000000 ] - [ 0.0024366800000000, 0.0006933100000000, -0.0001101100000000 ] - [ -0.0009597400000000, -0.0008972900000000, 0.0003113500000000 ] - [ -0.0024040800000000, -0.0028554800000000, 0.0003381200000000 ] - [ -0.0013851400000000, -0.0002104000000000, -0.0011817600000000 ] - [ -0.0023255700000000, -0.0243269700000000, -0.0166577900000000 ] - [ 0.0013755600000000, 0.0043075300000000, 0.0041363700000000 ] - [ -0.0028382000000000, -0.0015589800000000, -0.0015727000000000 ] - [ -0.0081405600000000, -0.0005681100000000, -0.0013353200000000 ] - [ 0.0031696200000000, -0.0015855200000000, -0.0053412000000000 ] - [ 0.0024711500000000, -0.0032945200000000, -0.0028532900000000 ] - [ 0.0036878600000000, 0.0006532900000000, 0.0042695500000000 ] - [ -0.0041880900000000, 0.0001087300000000, -0.0010754400000000 ] - [ 0.0369462500000000, 0.0129392800000000, -0.0015124500000000 ] - [ -0.0000659500000000, 0.0010064300000000, 0.0001858200000000 ] - [ -0.0109096300000000, 0.0000415800000000, 0.0031619000000000 ] - [ -0.0043153400000000, -0.0097797800000000, 0.0137077100000000 ] - [ -0.0009210800000000, -0.0011933200000000, -0.0020129500000000 ] - [ 0.0020462000000000, 0.0004689500000000, 0.0003563500000000 ] - [ -0.0019435100000000, 0.0047941800000000, 0.0006248100000000 ] - [ -0.0013702000000000, -0.0005478700000000, -0.0018294200000000 ] - [ 0.0091909100000000, -0.0003891500000000, 0.0008187900000000 ]- atom: 61 displacement: [ -0.0099999882271062, 0.0000000000000000, -0.0000153446321733 ] forces: - [ -0.0017532400000000, -0.0007074000000000, -0.0033481300000000 ] - [ 0.0153467800000000, -0.0003653300000000, 0.0013099300000000 ] - [ 0.0014489800000000, 0.0003199500000000, 0.0001557200000000 ] - [ -0.0020802400000000, 0.0004080700000000, 0.0005609700000000 ] - [ 0.0005155500000000, 0.0005045700000000, 0.0013945300000000 ] - [ -0.0132355400000000, 0.0051034900000000, 0.0014764600000000 ] - [ -0.0009391900000000, -0.0000075500000000, -0.0009074000000000 ] - [ 0.0056182900000000, 0.0044701300000000, -0.0058586600000000 ] - [ 0.0049247100000000, 0.0097832700000000, 0.0022911500000000 ] - [ -0.0008884500000000, 0.0004923300000000, -0.0005579900000000 ] - [ -0.0115485800000000, -0.0010122500000000, 0.0012266700000000 ] - [ -0.0004063900000000, -0.0000623600000000, -0.0008112200000000 ] - [ -0.0433212500000000, -0.0062377600000000, 0.0024340200000000 ] - [ 0.0032473600000000, -0.0000053300000000, -0.0000593100000000 ] - [ 0.0033474200000000, 0.0005635800000000, 0.0000396400000000 ] - [ -0.0004912200000000, 0.0005282300000000, -0.0000300700000000 ] - [ 0.0028613100000000, -0.0009221100000000, 0.0001262700000000 ] - [ -0.0003603000000000, -0.0009296600000000, -0.0008016600000000 ] - [ 0.0071769500000000, 0.0037623300000000, 0.0020616400000000 ] - [ 0.0013734300000000, 0.0005828800000000, 0.0001382900000000 ] - [ 0.0018599200000000, 0.0002880200000000, 0.0005575100000000 ] - [ 0.0007405600000000, -0.0004612800000000, -0.0003309000000000 ] - [ 0.0009268400000000, -0.0004274100000000, 0.0004808800000000 ] - [ 0.0078379200000000, 0.0017735900000000, -0.0054314900000000 ] - [ 0.0023345100000000, -0.0017775500000000, 0.0037422900000000 ] - [ 0.0009900000000000, -0.0001864400000000, 0.0005236900000000 ] - [ 0.0030212000000000, -0.0057733000000000, -0.0014996000000000 ] - [ 0.0003325100000000, -0.0012041400000000, -0.0007366500000000 ] - [ 0.0031388800000000, 0.0007514000000000, 0.0007293800000000 ] - [ -0.0012213600000000, -0.0001285100000000, 0.0039556100000000 ] - [ 0.0004926900000000, 0.0006989800000000, 0.0007723300000000 ] - [ -0.0027222200000000, 0.0008196100000000, -0.0001703500000000 ] - [ -0.0020516600000000, -0.0001659200000000, -0.0007384400000000 ] - [ 0.0060531900000000, -0.0031402300000000, -0.0022107000000000 ] - [ 0.0000220300000000, 0.0028697700000000, -0.0034539100000000 ] - [ 0.0019491700000000, -0.0001365500000000, -0.0002281500000000 ] - [ 0.0004657100000000, 0.0002031200000000, -0.0001831800000000 ] - [ -0.0010035500000000, 0.0042692800000000, 0.0015222300000000 ] - [ -0.0009632200000000, 0.0077311000000000, 0.0007265900000000 ] - [ 0.0015211500000000, 0.0005532900000000, 0.0001709700000000 ] - [ 0.0022194200000000, -0.0004272500000000, 0.0002471100000000 ] - [ -0.0007378400000000, -0.0002543100000000, -0.0004420200000000 ] - [ 0.0013084200000000, 0.0014897700000000, 0.0002189900000000 ] - [ -0.0015449500000000, -0.0002841900000000, -0.0003515800000000 ] - [ -0.0256903300000000, -0.0017693000000000, -0.0014469200000000 ] - [ 0.0011560700000000, -0.0004528800000000, -0.0005097400000000 ] - [ -0.0193006300000000, 0.0015017800000000, -0.0016968000000000 ] - [ 0.0028445400000000, -0.0024860100000000, 0.0051249400000000 ] - [ -0.0031016200000000, 0.0001053800000000, 0.0000262900000000 ] - [ -0.0005766500000000, 0.0003741000000000, 0.0002609100000000 ] - [ -0.0342887300000000, 0.0033250300000000, -0.0010648600000000 ] - [ -0.0020075100000000, -0.0000913300000000, -0.0000123700000000 ] - [ -0.0020921000000000, -0.0004572100000000, -0.0036722300000000 ] - [ -0.0019013900000000, -0.0002196200000000, 0.0005546300000000 ] - [ -0.0012091600000000, -0.0038362000000000, -0.0013373100000000 ] - [ 0.0001749900000000, 0.0001213400000000, -0.0006319100000000 ] - [ -0.0014930500000000, -0.0060327000000000, 0.0021474500000000 ] - [ -0.0015341600000000, -0.0005424600000000, 0.0005852800000000 ] - [ -0.0015651700000000, -0.0000344700000000, -0.0003761600000000 ] - [ 0.0006384500000000, 0.0009491900000000, -0.0011110700000000 ] - [ 0.1653107100000000, 0.0014659900000000, -0.0058370400000000 ] - [ -0.0014970000000000, -0.0006717600000000, -0.0027538800000000 ] - [ -0.0019251100000000, -0.0062209400000000, 0.0027867800000000 ] - [ 0.0013921700000000, 0.0006102400000000, 0.0003332200000000 ] - [ -0.0025472100000000, 0.0004235700000000, 0.0026201100000000 ] - [ -0.0330007800000000, 0.0050485300000000, 0.0002450900000000 ] - [ -0.0010115800000000, 0.0013641300000000, 0.0000689100000000 ] - [ -0.0023622700000000, 0.0044530700000000, -0.0020691900000000 ] - [ 0.0008500800000000, -0.0179044700000000, 0.0235074400000000 ] - [ -0.0074916400000000, 0.0003671200000000, -0.0016984100000000 ] - [ -0.0016715200000000, 0.0000550800000000, -0.0000828200000000 ] - [ 0.0007945600000000, -0.0009353500000000, -0.0011341200000000 ] - [ -0.0032217200000000, -0.0006296900000000, -0.0004129200000000 ] - [ 0.0001836000000000, -0.0017713800000000, 0.0011113000000000 ] - [ 0.0000530300000000, -0.0231266100000000, -0.0192261200000000 ] - [ -0.0023768400000000, 0.0001939000000000, -0.0004779700000000 ] - [ 0.0009410600000000, 0.0003594200000000, -0.0002267000000000 ] - [ 0.0024799800000000, 0.0023486400000000, -0.0004113900000000 ] - [ 0.0014414200000000, 0.0007557500000000, 0.0011088500000000 ] - [ 0.0023745500000000, 0.0251231800000000, 0.0168985500000000 ] - [ -0.0017597200000000, -0.0049486800000000, -0.0038995200000000 ] - [ 0.0032359300000000, 0.0010839100000000, 0.0014246400000000 ] - [ 0.0085398200000000, 0.0010660800000000, 0.0009042000000000 ] - [ -0.0035674600000000, 0.0021961800000000, 0.0056644900000000 ] - [ -0.0025007000000000, 0.0033055400000000, 0.0028301400000000 ] - [ -0.0036990600000000, -0.0006852300000000, -0.0042349900000000 ] - [ 0.0051330200000000, 0.0007132000000000, 0.0015982200000000 ] - [ -0.0383621900000000, -0.0121702800000000, 0.0010541400000000 ] - [ -0.0008756400000000, -0.0018782100000000, -0.0006912700000000 ] - [ 0.0118698600000000, -0.0005909800000000, -0.0028203000000000 ] - [ 0.0044543400000000, 0.0098777900000000, -0.0137747100000000 ] - [ 0.0009409400000000, 0.0011671000000000, 0.0020125600000000 ] - [ -0.0010914000000000, 0.0004006700000000, 0.0001447600000000 ] - [ 0.0009488500000000, -0.0038985600000000, -0.0011251100000000 ] - [ 0.0003953100000000, -0.0003066100000000, 0.0013177600000000 ] - [ -0.0082366200000000, -0.0004449000000000, -0.0003062700000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007741700000000, 0.0036973700000000, 0.0027888100000000 ] - [ -0.0003584800000000, 0.0012948600000000, -0.0000879700000000 ] - [ 0.0003104600000000, 0.0001260300000000, -0.0000466300000000 ] - [ 0.0067442900000000, -0.0082162800000000, 0.0064787800000000 ] - [ -0.0003431600000000, 0.0012148700000000, -0.0008311500000000 ] - [ -0.0031405800000000, 0.0257202200000000, 0.0046649700000000 ] - [ 0.0001987700000000, 0.0041935400000000, 0.0002571500000000 ] - [ -0.0003021400000000, 0.0039393900000000, -0.0005324000000000 ] - [ -0.0032604500000000, 0.0036319300000000, 0.0005918600000000 ] - [ 0.0007531400000000, 0.0033954700000000, -0.0065708100000000 ] - [ 0.0010998600000000, 0.0212863200000000, 0.0077957700000000 ] - [ -0.0008048700000000, 0.0010368400000000, -0.0001332900000000 ] - [ 0.0143042600000000, 0.0205740500000000, -0.0008966200000000 ] - [ 0.0003393900000000, 0.0002557400000000, 0.0008813300000000 ] - [ -0.0001642700000000, -0.0009529700000000, 0.0002201200000000 ] - [ 0.0010856800000000, -0.0003258700000000, 0.0001719400000000 ] - [ 0.0001808500000000, -0.0009101400000000, 0.0002343700000000 ] - [ 0.0037666100000000, -0.0021924400000000, -0.0019338500000000 ] - [ -0.0034083500000000, 0.0004456400000000, -0.0003898800000000 ] - [ 0.0001405100000000, 0.0000373300000000, 0.0003301700000000 ] - [ 0.0007489100000000, -0.0028101500000000, -0.0000065500000000 ] - [ 0.0005508000000000, -0.0008324700000000, -0.0005313100000000 ] - [ 0.0015036700000000, -0.0005879200000000, 0.0011468600000000 ] - [ -0.0027031400000000, 0.0012892800000000, 0.0014692900000000 ] - [ 0.0003670100000000, 0.0036198700000000, 0.0001319700000000 ] - [ 0.0005116600000000, 0.0021371500000000, -0.0002964300000000 ] - [ 0.0031541900000000, 0.0023747300000000, 0.0000307800000000 ] - [ 0.0000228500000000, 0.0011713800000000, -0.0007142300000000 ] - [ 0.0000370700000000, 0.0009202800000000, -0.0001890900000000 ] - [ -0.0015660100000000, 0.0046383700000000, -0.0032705600000000 ] - [ -0.0007663200000000, -0.0009378400000000, -0.0004906100000000 ] - [ 0.0014384000000000, -0.0080433200000000, 0.0011905000000000 ] - [ -0.0000440800000000, 0.0009732200000000, 0.0004990900000000 ] - [ 0.0024445200000000, 0.0006046100000000, -0.0007056200000000 ] - [ -0.0007724100000000, -0.0030421600000000, 0.0030435800000000 ] - [ 0.0001109400000000, -0.0018075500000000, -0.0003700500000000 ] - [ -0.0000555600000000, -0.0010855800000000, 0.0001088800000000 ] - [ -0.0000890300000000, -0.0065728200000000, -0.0010868300000000 ] - [ -0.0024114700000000, -0.0052726400000000, -0.0004159300000000 ] - [ 0.0006953500000000, -0.0007609800000000, 0.0007917200000000 ] - [ 0.0005646200000000, -0.0027720900000000, -0.0005158300000000 ] - [ -0.0005305700000000, -0.0030971400000000, 0.0008013500000000 ] - [ -0.0011738700000000, -0.0017613800000000, -0.0003091200000000 ] - [ -0.0003884700000000, -0.0032917900000000, -0.0037962800000000 ] - [ 0.0009835600000000, 0.0233265300000000, 0.0000456500000000 ] - [ 0.0006359800000000, 0.0002758100000000, 0.0000451400000000 ] - [ -0.0005846600000000, 0.0215218400000000, -0.0185559500000000 ] - [ 0.0041905000000000, 0.0006268800000000, 0.0019705900000000 ] - [ -0.0089398500000000, -0.0092898500000000, 0.0021409300000000 ] - [ -0.0008369500000000, -0.0001712800000000, 0.0003679900000000 ] - [ -0.0127045300000000, 0.0160342200000000, 0.0023154200000000 ] - [ -0.0002457900000000, 0.0026635600000000, 0.0023420000000000 ] - [ 0.0016120700000000, 0.0033734000000000, -0.0038343300000000 ] - [ -0.0040915900000000, -0.0044899700000000, -0.0014502100000000 ] - [ -0.0001614900000000, -0.0060958200000000, -0.0011318500000000 ] - [ 0.0002818100000000, -0.0017865200000000, 0.0000962900000000 ] - [ 0.0040073800000000, -0.0088500900000000, -0.0007328500000000 ] - [ 0.0010322400000000, -0.0051246300000000, 0.0042785900000000 ] - [ -0.0007906600000000, -0.0020335900000000, 0.0006107400000000 ] - [ -0.0007322800000000, -0.0012975400000000, 0.0008574800000000 ] - [ -0.0034208600000000, -0.1813207100000000, 0.0211214200000000 ] - [ -0.0002638700000000, -0.0038778400000000, -0.0011027000000000 ] - [ 0.0065600500000000, 0.0000226900000000, -0.0009805700000000 ] - [ 0.0001998800000000, 0.0013426300000000, 0.0004588600000000 ] - [ -0.0001475500000000, -0.0028322200000000, -0.0009951400000000 ] - [ 0.0034686800000000, -0.0064158100000000, 0.0002372400000000 ] - [ -0.0008744200000000, -0.0007416100000000, -0.0003849800000000 ] - [ -0.0066052500000000, 0.0000287100000000, -0.0005421900000000 ] - [ 0.0167878000000000, 0.0040367700000000, -0.0110321400000000 ] - [ -0.0007346300000000, 0.0007520300000000, -0.0007068500000000 ] - [ 0.0000301000000000, 0.0020179300000000, -0.0001861200000000 ] - [ -0.0009370200000000, 0.0064048400000000, -0.0021613000000000 ] - [ 0.0002308500000000, 0.0024580500000000, -0.0004375900000000 ] - [ -0.0013726400000000, 0.0034675400000000, 0.0011873400000000 ] - [ 0.0237406600000000, 0.0121200900000000, 0.0084884600000000 ] - [ -0.0002118100000000, 0.0014320700000000, -0.0005132300000000 ] - [ 0.0013466400000000, 0.0049812000000000, 0.0010751300000000 ] - [ 0.0024195400000000, 0.0128255600000000, 0.0009673000000000 ] - [ -0.0001307100000000, 0.0012558500000000, -0.0008743400000000 ] - [ -0.0235126000000000, 0.0113220000000000, 0.0098474500000000 ] - [ 0.0026505600000000, 0.0003017900000000, 0.0015716100000000 ] - [ -0.0006882500000000, 0.0191296600000000, 0.0199166500000000 ] - [ -0.0009847700000000, -0.0273324600000000, 0.0016854900000000 ] - [ -0.0006287100000000, -0.0023966400000000, 0.0004682300000000 ] - [ -0.0032302500000000, -0.0006604700000000, 0.0010271600000000 ] - [ 0.0004911200000000, -0.0033116800000000, -0.0000674900000000 ] - [ 0.0007762100000000, -0.0089370000000000, -0.0006943700000000 ] - [ 0.0003255600000000, -0.0075003200000000, 0.0001826300000000 ] - [ 0.0001878900000000, -0.0016336300000000, 0.0002333600000000 ] - [ 0.0015292600000000, 0.0474765100000000, -0.0336244200000000 ] - [ -0.0173921900000000, 0.0118818400000000, -0.0117625300000000 ] - [ 0.0009549500000000, 0.0051565700000000, -0.0000292400000000 ] - [ 0.0003855400000000, 0.0024901100000000, 0.0001186900000000 ] - [ -0.0032958700000000, 0.0109121100000000, -0.0003702600000000 ] - [ 0.0000038100000000, 0.0008398200000000, -0.0013110700000000 ] - [ 0.0006701100000000, 0.0023160700000000, 0.0003156400000000 ]- atom: 61 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004474800000000, -0.0036906800000000, -0.0027520800000000 ] - [ 0.0006589000000000, -0.0012708200000000, 0.0000190800000000 ] - [ 0.0000184900000000, -0.0001516500000000, -0.0000098100000000 ] - [ -0.0071101600000000, 0.0082422400000000, -0.0064860400000000 ] - [ 0.0004558800000000, -0.0014383300000000, 0.0011901200000000 ] - [ 0.0034337100000000, -0.0287967400000000, -0.0059164900000000 ] - [ -0.0003117400000000, -0.0039961400000000, -0.0005997000000000 ] - [ 0.0004025900000000, -0.0037734800000000, 0.0009045800000000 ] - [ 0.0020870500000000, -0.0024066800000000, -0.0005838100000000 ] - [ 0.0004442500000000, -0.0021480000000000, 0.0066044900000000 ] - [ 0.0000978100000000, -0.0229134900000000, -0.0074626800000000 ] - [ -0.0003927500000000, -0.0023119800000000, 0.0001499700000000 ] - [ -0.0138995200000000, -0.0210861700000000, 0.0008912200000000 ] - [ -0.0004564000000000, -0.0006191800000000, -0.0008794700000000 ] - [ 0.0000457100000000, 0.0013178000000000, -0.0002133900000000 ] - [ -0.0009726100000000, 0.0006877900000000, -0.0001856500000000 ] - [ -0.0001928500000000, 0.0002339500000000, 0.0000506000000000 ] - [ -0.0037759600000000, 0.0015249700000000, 0.0016622500000000 ] - [ 0.0029945800000000, -0.0000518500000000, -0.0002153000000000 ] - [ 0.0002686300000000, 0.0003448700000000, 0.0002827300000000 ] - [ -0.0003542600000000, 0.0024362000000000, 0.0006218800000000 ] - [ -0.0009607100000000, 0.0004563300000000, -0.0000806400000000 ] - [ -0.0015186800000000, 0.0007908300000000, -0.0011578900000000 ] - [ 0.0027194300000000, -0.0014805200000000, -0.0014998100000000 ] - [ -0.0012426300000000, -0.0028177500000000, 0.0000943700000000 ] - [ 0.0003601800000000, -0.0013208000000000, 0.0000888300000000 ] - [ -0.0023063900000000, -0.0032440200000000, -0.0002450200000000 ] - [ -0.0008972700000000, -0.0020141400000000, 0.0009286700000000 ] - [ -0.0000514800000000, -0.0002459700000000, 0.0004759100000000 ] - [ 0.0015737200000000, -0.0039643900000000, 0.0029929600000000 ] - [ 0.0004433800000000, 0.0009632800000000, 0.0005502100000000 ] - [ -0.0011219600000000, 0.0080946300000000, -0.0012444000000000 ] - [ 0.0003691400000000, -0.0009952500000000, -0.0005521200000000 ] - [ -0.0027721300000000, -0.0006096600000000, 0.0007731900000000 ] - [ 0.0008848600000000, 0.0028540300000000, -0.0027092500000000 ] - [ -0.0002213200000000, 0.0016164000000000, 0.0000170800000000 ] - [ -0.0000540300000000, 0.0013041200000000, -0.0004680700000000 ] - [ 0.0001921100000000, 0.0068184000000000, 0.0014310500000000 ] - [ 0.0011973300000000, 0.0065716800000000, 0.0004465300000000 ] - [ 0.0005036700000000, 0.0020440200000000, -0.0008135300000000 ] - [ 0.0006328900000000, 0.0015260600000000, 0.0005073000000000 ] - [ -0.0006684200000000, 0.0018504700000000, -0.0007968500000000 ] - [ 0.0013127000000000, 0.0013984700000000, 0.0003030400000000 ] - [ 0.0002672800000000, 0.0029379100000000, 0.0038209900000000 ] - [ -0.0010616900000000, -0.0216529200000000, 0.0011032300000000 ] - [ -0.0005158700000000, 0.0000881500000000, -0.0000551600000000 ] - [ 0.0005476500000000, -0.0215326500000000, 0.0177361500000000 ] - [ -0.0041797600000000, -0.0012868100000000, -0.0022701700000000 ] - [ 0.0085976700000000, 0.0097251100000000, -0.0027963900000000 ] - [ 0.0012522700000000, 0.0005461000000000, 0.0002451900000000 ] - [ 0.0129803100000000, -0.0166580800000000, -0.0016749900000000 ] - [ -0.0001630900000000, -0.0030546700000000, -0.0029692000000000 ] - [ -0.0016053400000000, -0.0031697300000000, 0.0038332900000000 ] - [ 0.0041141400000000, 0.0043086700000000, 0.0014699200000000 ] - [ -0.0007065100000000, 0.0069602100000000, 0.0013356000000000 ] - [ 0.0005912800000000, 0.0026304300000000, -0.0003134400000000 ] - [ -0.0031108900000000, 0.0080426500000000, 0.0005506300000000 ] - [ -0.0019130700000000, 0.0043274000000000, -0.0040771100000000 ] - [ 0.0007807500000000, 0.0027153600000000, -0.0003374900000000 ] - [ 0.0007608100000000, 0.0019747000000000, -0.0011484200000000 ] - [ 0.0028721100000000, 0.1826465800000000, -0.0216963700000000 ] - [ 0.0001976900000000, 0.0030121100000000, 0.0017025900000000 ] - [ -0.0066870100000000, 0.0008915600000000, 0.0015808600000000 ] - [ -0.0001317200000000, -0.0004559800000000, -0.0010556900000000 ] - [ 0.0001089500000000, 0.0022980500000000, 0.0010897000000000 ] - [ -0.0034987500000000, 0.0059113700000000, -0.0003213500000000 ] - [ 0.0009116800000000, 0.0013060600000000, 0.0003095800000000 ] - [ 0.0066248400000000, 0.0005441300000000, 0.0006243900000000 ] - [ -0.0171465900000000, -0.0047172800000000, 0.0112693700000000 ] - [ 0.0011329800000000, -0.0013661400000000, 0.0004478000000000 ] - [ 0.0003706300000000, -0.0014438300000000, -0.0000886400000000 ] - [ 0.0005406100000000, -0.0058528100000000, 0.0024710300000000 ] - [ -0.0001619700000000, -0.0033572700000000, -0.0001509800000000 ] - [ 0.0013117200000000, -0.0043690100000000, -0.0006045800000000 ] - [ -0.0236178200000000, -0.0112327700000000, -0.0077928100000000 ] - [ 0.0002809600000000, -0.0005577300000000, -0.0000759200000000 ] - [ -0.0013865600000000, -0.0055514500000000, -0.0010092200000000 ] - [ -0.0024131500000000, -0.0134164600000000, -0.0010553500000000 ] - [ 0.0001672800000000, -0.0007207600000000, 0.0007963800000000 ] - [ 0.0232987500000000, -0.0107628100000000, -0.0096378100000000 ] - [ -0.0030766300000000, -0.0008805800000000, -0.0013038800000000 ] - [ 0.0011092300000000, -0.0198775200000000, -0.0203497300000000 ] - [ 0.0013939600000000, 0.0279488100000000, -0.0020176400000000 ] - [ 0.0002290900000000, 0.0029840700000000, -0.0002104500000000 ] - [ 0.0032509000000000, 0.0007077700000000, -0.0010291800000000 ] - [ -0.0004956900000000, 0.0032861900000000, 0.0000585900000000 ] - [ 0.0001879200000000, 0.0098515300000000, 0.0012238800000000 ] - [ -0.0012122300000000, 0.0085029600000000, -0.0007085300000000 ] - [ -0.0011465300000000, 0.0007909500000000, -0.0007500000000000 ] - [ -0.0005763300000000, -0.0489748000000000, 0.0347331600000000 ] - [ 0.0173670500000000, -0.0119081800000000, 0.0116714400000000 ] - [ -0.0009640000000000, -0.0052151300000000, 0.0000469800000000 ] - [ 0.0005685700000000, -0.0016481900000000, 0.0003967100000000 ] - [ 0.0023699900000000, -0.0100835700000000, -0.0001307600000000 ] - [ -0.0009651600000000, -0.0017181500000000, 0.0008049100000000 ] - [ 0.0002860700000000, -0.0032024000000000, 0.0001948200000000 ]- atom: 61 displacement: [ -0.0005876189178017, 0.0000000000000000, 0.0099827202709202 ] forces: - [ 0.0030998600000000, -0.0011149900000000, -0.0060396400000000 ] - [ 0.0027330000000000, -0.0002643200000000, 0.0018691900000000 ] - [ -0.0000344700000000, -0.0000779600000000, -0.0007321000000000 ] - [ -0.0041833800000000, 0.0050156300000000, 0.0027462200000000 ] - [ -0.0004442000000000, -0.0008225300000000, -0.0005127600000000 ] - [ -0.0019257400000000, 0.0032856500000000, 0.0212479300000000 ] - [ 0.0005258400000000, 0.0021025600000000, -0.0092789200000000 ] - [ 0.0017711800000000, 0.0003344200000000, 0.0010574200000000 ] - [ -0.0007465200000000, 0.0018727200000000, 0.0022863500000000 ] - [ 0.0012874900000000, -0.0019141400000000, -0.0053501900000000 ] - [ -0.0022378600000000, -0.0026855800000000, 0.0284322000000000 ] - [ -0.0005126800000000, -0.0002288600000000, -0.0022644900000000 ] - [ -0.0018191700000000, 0.0008065600000000, 0.0172332900000000 ] - [ -0.0003521100000000, 0.0002192600000000, -0.0012850100000000 ] - [ 0.0000787300000000, 0.0007212600000000, 0.0003205800000000 ] - [ 0.0001532000000000, 0.0004493300000000, -0.0015270900000000 ] - [ 0.0002387300000000, -0.0007019600000000, 0.0006191300000000 ] - [ 0.0010344300000000, -0.0009265800000000, -0.0003532600000000 ] - [ -0.0015517100000000, 0.0012609400000000, 0.0016804400000000 ] - [ 0.0004281200000000, 0.0004344000000000, -0.0018251100000000 ] - [ 0.0000123400000000, 0.0003836400000000, 0.0016767500000000 ] - [ -0.0000225900000000, 0.0000737600000000, -0.0008435500000000 ] - [ -0.0006042500000000, 0.0000604100000000, -0.0007477200000000 ] - [ 0.0036682400000000, -0.0015958300000000, 0.0002008700000000 ] - [ -0.0017100800000000, 0.0008057500000000, 0.0017039100000000 ] - [ -0.0000787300000000, 0.0010979200000000, -0.0023431800000000 ] - [ 0.0012916100000000, -0.0012608300000000, 0.0011703400000000 ] - [ 0.0000180200000000, -0.0010148700000000, -0.0005374300000000 ] - [ -0.0004139500000000, -0.0001486800000000, -0.0010461000000000 ] - [ -0.0065498500000000, -0.0006779800000000, -0.0021109300000000 ] - [ -0.0007171600000000, 0.0003297800000000, -0.0001273200000000 ] - [ 0.0002664500000000, -0.0012647100000000, 0.0018674900000000 ] - [ -0.0003043700000000, -0.0022588800000000, -0.0055080900000000 ] - [ 0.0030775000000000, 0.0000229800000000, 0.0003173700000000 ] - [ 0.0012371600000000, 0.0019772900000000, -0.0032319700000000 ] - [ -0.0001260400000000, 0.0001449100000000, 0.0013229100000000 ] - [ -0.0000393400000000, 0.0003027800000000, -0.0009731100000000 ] - [ -0.0010656700000000, -0.0012444700000000, 0.0013106300000000 ] - [ 0.0004504100000000, 0.0035421200000000, 0.0055892700000000 ] - [ 0.0004472400000000, 0.0010813400000000, -0.0007699100000000 ] - [ 0.0007591200000000, -0.0009862000000000, 0.0003242500000000 ] - [ -0.0007923300000000, -0.0003314900000000, -0.0018933200000000 ] - [ 0.0001393400000000, 0.0004743300000000, 0.0012781400000000 ] - [ 0.0003259100000000, -0.0002784400000000, -0.0013513900000000 ] - [ -0.0012290600000000, 0.0055141100000000, 0.0249659000000000 ] - [ 0.0001868500000000, 0.0002813900000000, -0.0026232400000000 ] - [ -0.0007888600000000, -0.0105787800000000, 0.0287979700000000 ] - [ -0.0060326700000000, -0.0005226100000000, -0.0003380800000000 ] - [ 0.0011178800000000, 0.0052903600000000, 0.0046580500000000 ] - [ 0.0001077800000000, 0.0006292400000000, -0.0009701200000000 ] - [ -0.0023778300000000, 0.0016560200000000, 0.0104490300000000 ] - [ -0.0013849800000000, -0.0004180100000000, -0.0065241800000000 ] - [ 0.0057117000000000, -0.0024618700000000, -0.0053751500000000 ] - [ -0.0011529400000000, -0.0007309600000000, 0.0006989000000000 ] - [ 0.0004049900000000, -0.0024607200000000, 0.0002319600000000 ] - [ 0.0007279400000000, 0.0008788600000000, -0.0024288300000000 ] - [ -0.0032332600000000, 0.0042955700000000, 0.0084867600000000 ] - [ -0.0032440300000000, 0.0046122300000000, -0.0058019200000000 ] - [ 0.0002169300000000, 0.0007830000000000, -0.0014527000000000 ] - [ 0.0005755600000000, 0.0003886800000000, -0.0007364000000000 ] - [ 0.0155795300000000, 0.0204570800000000, -0.1455787000000000 ] - [ 0.0028927300000000, 0.0009427800000000, 0.0043256000000000 ] - [ -0.0026165400000000, -0.0012237800000000, -0.0009464400000000 ] - [ -0.0005231400000000, -0.0003277300000000, 0.0052712900000000 ] - [ -0.0025985800000000, 0.0005191000000000, 0.0030475500000000 ] - [ -0.0049866600000000, 0.0006995400000000, -0.0037770200000000 ] - [ 0.0002556300000000, -0.0001315100000000, 0.0016534300000000 ] - [ 0.0022247700000000, -0.0002571100000000, -0.0019890100000000 ] - [ -0.0244783800000000, -0.0122488800000000, 0.0052847600000000 ] - [ 0.0012047700000000, -0.0011759900000000, -0.0017122300000000 ] - [ 0.0001185900000000, 0.0000999900000000, 0.0007507200000000 ] - [ 0.0005735200000000, -0.0006421500000000, 0.0029535000000000 ] - [ -0.0000425900000000, -0.0005922600000000, -0.0014337700000000 ] - [ -0.0008344100000000, -0.0014091900000000, 0.0021619000000000 ] - [ 0.0196148200000000, 0.0071697900000000, -0.0087729200000000 ] - [ 0.0000678800000000, 0.0006465300000000, 0.0018625700000000 ] - [ 0.0005807700000000, -0.0030179300000000, 0.0019623100000000 ] - [ 0.0005050000000000, -0.0030301400000000, -0.0044420200000000 ] - [ -0.0006517600000000, 0.0008118700000000, 0.0080989700000000 ] - [ -0.0182332900000000, 0.0134265400000000, -0.0028131100000000 ] - [ 0.0008214300000000, -0.0002667900000000, -0.0013006600000000 ] - [ -0.0001717800000000, 0.0066974000000000, 0.0022407800000000 ] - [ 0.0007158800000000, 0.0101305200000000, 0.0374253600000000 ] - [ -0.0035154500000000, -0.0002940300000000, 0.0031346800000000 ] - [ -0.0013705300000000, 0.0006542900000000, -0.0003247600000000 ] - [ 0.0045711000000000, -0.0021747200000000, 0.0021086100000000 ] - [ -0.0008284300000000, 0.0040217300000000, 0.0154012800000000 ] - [ -0.0052469700000000, -0.0012134700000000, -0.0041019000000000 ] - [ -0.0002528000000000, -0.0006600600000000, 0.0015159800000000 ] - [ 0.0056411900000000, -0.0337776300000000, -0.0240559700000000 ] - [ 0.0258019600000000, -0.0183217600000000, 0.0038379600000000 ] - [ -0.0010289000000000, 0.0000522600000000, 0.0027490400000000 ] - [ 0.0007049400000000, 0.0001506400000000, 0.0011793200000000 ] - [ -0.0007474100000000, -0.0009666300000000, -0.0047401000000000 ] - [ 0.0003636900000000, -0.0000321600000000, 0.0049565100000000 ] - [ -0.0005283100000000, 0.0011269400000000, -0.0015735500000000 ]- atom: 61 displacement: [ 0.0005876189178017, 0.0000000000000000, -0.0099827202709202 ] forces: - [ -0.0034695700000000, 0.0011196000000000, 0.0061141800000000 ] - [ -0.0024164900000000, 0.0003026700000000, -0.0019367600000000 ] - [ 0.0003617800000000, 0.0000597300000000, 0.0006781700000000 ] - [ 0.0038429800000000, -0.0050130400000000, -0.0026540100000000 ] - [ 0.0005585800000000, 0.0006175900000000, 0.0008487300000000 ] - [ 0.0018568700000000, -0.0038440100000000, -0.0217032500000000 ] - [ -0.0006332300000000, -0.0018667300000000, 0.0089014300000000 ] - [ -0.0016668500000000, -0.0001348300000000, -0.0006681800000000 ] - [ -0.0004696200000000, -0.0006402700000000, -0.0022796500000000 ] - [ -0.0000938500000000, 0.0032497600000000, 0.0053319800000000 ] - [ 0.0033243100000000, 0.0005316500000000, -0.0266601000000000 ] - [ -0.0006817400000000, -0.0010289800000000, 0.0022808700000000 ] - [ 0.0017292000000000, -0.0012143200000000, -0.0171763700000000 ] - [ 0.0002386300000000, -0.0005826000000000, 0.0012869100000000 ] - [ -0.0001963200000000, -0.0003625600000000, -0.0003081800000000 ] - [ -0.0000408000000000, -0.0000816900000000, 0.0015184600000000 ] - [ -0.0002526900000000, 0.0000267200000000, -0.0003374100000000 ] - [ -0.0010055500000000, 0.0002488700000000, 0.0000530900000000 ] - [ 0.0011591200000000, -0.0008583400000000, -0.0022751000000000 ] - [ -0.0000254200000000, -0.0000626300000000, 0.0024357500000000 ] - [ 0.0003943100000000, -0.0007660300000000, -0.0010554400000000 ] - [ -0.0003804200000000, -0.0004552900000000, 0.0002231200000000 ] - [ 0.0006021700000000, 0.0001412100000000, 0.0007545800000000 ] - [ -0.0036673200000000, 0.0014069300000000, -0.0002306900000000 ] - [ 0.0008319600000000, 0.0000228200000000, -0.0014655700000000 ] - [ 0.0009447100000000, -0.0002589000000000, 0.0021289900000000 ] - [ -0.0004058700000000, 0.0004132100000000, -0.0013868600000000 ] - [ -0.0008924100000000, 0.0001929000000000, 0.0007396200000000 ] - [ 0.0003986900000000, 0.0008234600000000, 0.0013367800000000 ] - [ 0.0065049200000000, 0.0013331900000000, 0.0018237200000000 ] - [ 0.0003834900000000, -0.0003149300000000, 0.0001746300000000 ] - [ 0.0000600200000000, 0.0012528800000000, -0.0019153900000000 ] - [ 0.0006193500000000, 0.0022120300000000, 0.0054303800000000 ] - [ -0.0034014000000000, -0.0000320200000000, -0.0002509700000000 ] - [ -0.0011326100000000, -0.0021901100000000, 0.0035669300000000 ] - [ 0.0000184000000000, -0.0003627100000000, -0.0016629200000000 ] - [ -0.0000704000000000, -0.0000946400000000, 0.0006270300000000 ] - [ 0.0011734500000000, 0.0014701600000000, -0.0009572200000000 ] - [ -0.0016532400000000, -0.0022654600000000, -0.0055705600000000 ] - [ 0.0007535500000000, 0.0001881400000000, 0.0007472200000000 ] - [ 0.0004436500000000, -0.0002863800000000, -0.0003388900000000 ] - [ -0.0004086600000000, -0.0009368300000000, 0.0019042800000000 ] - [ -0.0000196900000000, -0.0008397000000000, -0.0012823500000000 ] - [ -0.0004462700000000, -0.0000864500000000, 0.0013273700000000 ] - [ 0.0011064800000000, -0.0041835600000000, -0.0240717600000000 ] - [ -0.0000566500000000, 0.0000785000000000, 0.0026158800000000 ] - [ 0.0006688500000000, 0.0113132100000000, -0.0302441400000000 ] - [ 0.0060749500000000, -0.0001520100000000, 0.0000351700000000 ] - [ -0.0015329900000000, -0.0048925200000000, -0.0052330700000000 ] - [ 0.0003068300000000, -0.0002456600000000, 0.0015842200000000 ] - [ 0.0030682700000000, -0.0020715000000000, -0.0098227500000000 ] - [ 0.0009986800000000, 0.0000245700000000, 0.0059274700000000 ] - [ -0.0056637100000000, 0.0026479300000000, 0.0053662200000000 ] - [ 0.0011365600000000, 0.0005139000000000, -0.0007087600000000 ] - [ -0.0012774700000000, 0.0032916800000000, -0.0000170600000000 ] - [ 0.0001466100000000, -0.0000628300000000, 0.0022190800000000 ] - [ 0.0041232000000000, -0.0051414500000000, -0.0087050700000000 ] - [ 0.0023660400000000, -0.0054460500000000, 0.0059975200000000 ] - [ -0.0002332800000000, -0.0001074700000000, 0.0017447400000000 ] - [ -0.0005545600000000, 0.0002772400000000, 0.0004591300000000 ] - [ -0.0154585900000000, -0.0227039700000000, 0.1440098300000000 ] - [ -0.0029860900000000, -0.0018277400000000, -0.0037436100000000 ] - [ 0.0025471300000000, 0.0021106300000000, 0.0015131300000000 ] - [ 0.0005865700000000, 0.0011637700000000, -0.0058612200000000 ] - [ 0.0025879000000000, -0.0010754900000000, -0.0029580000000000 ] - [ 0.0049276900000000, -0.0012413400000000, 0.0037024600000000 ] - [ -0.0002131800000000, 0.0006729300000000, -0.0017238800000000 ] - [ -0.0022607100000000, 0.0008189000000000, 0.0020392700000000 ] - [ 0.0242322500000000, 0.0117577700000000, -0.0049602000000000 ] - [ -0.0008069800000000, 0.0005755200000000, 0.0014580400000000 ] - [ 0.0002937100000000, 0.0004927700000000, -0.0010373500000000 ] - [ -0.0009829000000000, 0.0012292700000000, -0.0026806400000000 ] - [ 0.0001027900000000, -0.0002791200000000, 0.0008484900000000 ] - [ 0.0007690600000000, 0.0005410500000000, -0.0015643200000000 ] - [ -0.0195810900000000, -0.0063007100000000, 0.0092206100000000 ] - [ -0.0000048700000000, 0.0002380400000000, -0.0024454100000000 ] - [ -0.0006169700000000, 0.0024795500000000, -0.0018760500000000 ] - [ -0.0004508500000000, 0.0025033900000000, 0.0043589300000000 ] - [ 0.0006792400000000, -0.0002311800000000, -0.0081665800000000 ] - [ 0.0180854800000000, -0.0128353500000000, 0.0028099500000000 ] - [ -0.0012273400000000, -0.0003178200000000, 0.0016045500000000 ] - [ 0.0005880700000000, -0.0072527600000000, -0.0023672000000000 ] - [ -0.0002948300000000, -0.0094414500000000, -0.0371659900000000 ] - [ 0.0030752900000000, 0.0008724100000000, -0.0028739100000000 ] - [ 0.0013595300000000, -0.0006152200000000, 0.0003531100000000 ] - [ -0.0045335200000000, 0.0021144800000000, -0.0021214900000000 ] - [ 0.0017914100000000, -0.0031706300000000, -0.0149530300000000 ] - [ 0.0043677700000000, 0.0021004300000000, 0.0035672100000000 ] - [ -0.0007066500000000, -0.0002067800000000, -0.0020149700000000 ] - [ -0.0046377300000000, 0.0328030900000000, 0.0242025900000000 ] - [ -0.0259062300000000, 0.0184770500000000, -0.0038498000000000 ] - [ 0.0010228300000000, -0.0000822300000000, -0.0027620300000000 ] - [ 0.0002520900000000, 0.0007129900000000, -0.0006692400000000 ] - [ -0.0002175000000000, 0.0018405200000000, 0.0042173900000000 ] - [ -0.0013018900000000, -0.0008007400000000, -0.0054550700000000 ] - [ 0.0014715900000000, -0.0020000700000000, 0.0020793000000000 ]- atom: 65 displacement: [ 0.0099999882271062, 0.0000000000000000, 0.0000153446321733 ] forces: - [ 0.0297753400000000, -0.0013293400000000, -0.0031802700000000 ] - [ 0.0011583500000000, 0.0005901700000000, -0.0030357900000000 ] - [ 0.0008431400000000, 0.0009925000000000, 0.0009087900000000 ] - [ 0.0005597000000000, -0.0001445200000000, 0.0000449800000000 ] - [ -0.0028359700000000, 0.0052834000000000, -0.0003637000000000 ] - [ -0.0005560800000000, -0.0007974700000000, 0.0010687700000000 ] - [ -0.0048696100000000, -0.0030589000000000, -0.0063067000000000 ] - [ -0.0005356700000000, 0.0006805700000000, 0.0006455100000000 ] - [ -0.0013415300000000, 0.0011199400000000, -0.0008699400000000 ] - [ -0.0047828900000000, -0.0083461800000000, 0.0010022500000000 ] - [ 0.0002618300000000, -0.0011571100000000, -0.0009188700000000 ] - [ -0.0032263800000000, 0.0011480200000000, 0.0028393200000000 ] - [ 0.0019324000000000, -0.0001996700000000, 0.0025555600000000 ] - [ 0.0482583600000000, 0.0087678400000000, 0.0011103300000000 ] - [ 0.0004582200000000, -0.0001994600000000, 0.0001953900000000 ] - [ 0.0024110100000000, -0.0005926400000000, -0.0006425400000000 ] - [ 0.0010222000000000, -0.0003766500000000, -0.0001469300000000 ] - [ 0.0027014200000000, 0.0004064500000000, -0.0000168100000000 ] - [ 0.0020156600000000, 0.0003216000000000, 0.0000366200000000 ] - [ 0.0196535900000000, 0.0013954700000000, -0.0005783200000000 ] - [ 0.0016357600000000, 0.0003050800000000, 0.0004642800000000 ] - [ 0.0026302700000000, -0.0010566400000000, -0.0001165700000000 ] - [ 0.0016706500000000, 0.0002446200000000, 0.0003364300000000 ] - [ 0.0223973000000000, 0.0008654200000000, 0.0008733200000000 ] - [ 0.0004438100000000, 0.0007111100000000, 0.0004526800000000 ] - [ 0.0118606100000000, -0.0007338700000000, -0.0019669300000000 ] - [ 0.0019742000000000, -0.0007574700000000, -0.0003979600000000 ] - [ 0.0107621400000000, -0.0083586500000000, 0.0023482800000000 ] - [ 0.0023051000000000, 0.0013110100000000, 0.0042613100000000 ] - [ 0.0023124600000000, -0.0001080900000000, -0.0007188300000000 ] - [ -0.0019322300000000, -0.0005290600000000, -0.0001966000000000 ] - [ -0.0003816100000000, -0.0002327200000000, 0.0005318100000000 ] - [ -0.0031077600000000, 0.0036207300000000, -0.0044157200000000 ] - [ -0.0012410900000000, -0.0004273600000000, 0.0002569000000000 ] - [ 0.0015360600000000, 0.0061274800000000, -0.0011391100000000 ] - [ 0.0006818300000000, -0.0030124600000000, -0.0036443200000000 ] - [ -0.0001728800000000, -0.0040470500000000, 0.0010798600000000 ] - [ 0.0002407900000000, 0.0005836600000000, 0.0006070800000000 ] - [ -0.0000666100000000, 0.0036845400000000, 0.0029652700000000 ] - [ 0.0017943400000000, -0.0062726100000000, 0.0009196800000000 ] - [ 0.0009678600000000, -0.0009178200000000, -0.0001979000000000 ] - [ 0.0003084600000000, 0.0003610900000000, -0.0010331400000000 ] - [ -0.0008138500000000, 0.0001691800000000, -0.0004999900000000 ] - [ -0.0010856700000000, -0.0017933600000000, 0.0001548000000000 ] - [ -0.0010769400000000, 0.0008690400000000, -0.0003383000000000 ] - [ -0.0079068800000000, -0.0030534400000000, 0.0043685400000000 ] - [ -0.0058625300000000, 0.0017731000000000, 0.0027234100000000 ] - [ -0.0074940600000000, -0.0035806500000000, -0.0038456300000000 ] - [ -0.0015570400000000, -0.0002029400000000, -0.0003152900000000 ] - [ -0.0033283600000000, 0.0008871600000000, 0.0004762500000000 ] - [ -0.0021817600000000, -0.0003567300000000, -0.0000893200000000 ] - [ -0.0154492800000000, 0.0009705900000000, -0.0011758000000000 ] - [ -0.0037299000000000, 0.0001769900000000, -0.0000931500000000 ] - [ -0.0024249700000000, -0.0003018900000000, -0.0000190200000000 ] - [ -0.0010089800000000, 0.0002906200000000, -0.0000490700000000 ] - [ -0.0006363700000000, 0.0005151000000000, -0.0000551000000000 ] - [ -0.0011303800000000, -0.0005829300000000, -0.0004540300000000 ] - [ -0.0025165300000000, -0.0005264400000000, 0.0003515200000000 ] - [ -0.0009083600000000, -0.0006271300000000, -0.0006802700000000 ] - [ -0.0010340300000000, 0.0005735100000000, -0.0001386900000000 ] - [ 0.0025536600000000, -0.0005737400000000, -0.0027263600000000 ] - [ 0.0332132400000000, -0.0039277700000000, -0.0027349900000000 ] - [ 0.0009896100000000, -0.0004535100000000, 0.0005885300000000 ] - [ 0.0023626700000000, 0.0070203200000000, 0.0020790300000000 ] - [ -0.1652450600000000, -0.0056091800000000, 0.0046491100000000 ] - [ -0.0049752600000000, -0.0000360100000000, -0.0005553700000000 ] - [ -0.0071574800000000, -0.0020290800000000, -0.0021484700000000 ] - [ -0.0014549300000000, 0.0000662200000000, -0.0003169100000000 ] - [ -0.0017791200000000, -0.0175255800000000, -0.0221640400000000 ] - [ -0.0004783900000000, 0.0166559200000000, 0.0241055500000000 ] - [ -0.0001810000000000, 0.0012645700000000, -0.0019969700000000 ] - [ -0.0012407300000000, -0.0002642300000000, 0.0010201300000000 ] - [ -0.0009279200000000, 0.0009391400000000, 0.0002488100000000 ] - [ -0.0024555300000000, -0.0028417200000000, 0.0006227100000000 ] - [ -0.0014365300000000, 0.0002898900000000, -0.0004386400000000 ] - [ -0.0023321700000000, 0.0239412200000000, -0.0187052700000000 ] - [ 0.0031627100000000, -0.0001436400000000, 0.0001493100000000 ] - [ 0.0016714600000000, -0.0000349300000000, 0.0000324100000000 ] - [ 0.0083347000000000, -0.0009194300000000, 0.0007906800000000 ] - [ 0.0022972600000000, 0.0003373500000000, 0.0003429300000000 ] - [ 0.0013543300000000, -0.0029418400000000, 0.0028317500000000 ] - [ 0.0010980100000000, 0.0044428200000000, -0.0037579100000000 ] - [ 0.0019598000000000, -0.0016991200000000, 0.0058801800000000 ] - [ 0.0030746800000000, 0.0005990100000000, -0.0036798700000000 ] - [ -0.0042018400000000, -0.0007136000000000, 0.0013260700000000 ] - [ -0.0067552300000000, -0.0003269300000000, -0.0017943900000000 ] - [ 0.0377128700000000, 0.0102419000000000, 0.0109831400000000 ] - [ 0.0022377400000000, 0.0002012300000000, 0.0013722900000000 ] - [ 0.0029986200000000, -0.0050972500000000, -0.0027418300000000 ] - [ 0.0010698900000000, 0.0010003100000000, -0.0002758000000000 ] - [ 0.0083622100000000, 0.0003674100000000, 0.0007437000000000 ] - [ 0.0019834800000000, 0.0001074200000000, 0.0001337800000000 ] - [ -0.0003530400000000, 0.0044087900000000, -0.0004375700000000 ] - [ -0.0012760200000000, -0.0013680100000000, -0.0008426200000000 ] - [ -0.0027576200000000, -0.0157635100000000, 0.0101893800000000 ] - [ -0.0008057200000000, -0.0006791900000000, 0.0012891500000000 ]- atom: 65 displacement: [ -0.0099999882271062, 0.0000000000000000, -0.0000153446321733 ] forces: - [ -0.0331375400000000, 0.0019479200000000, 0.0037479100000000 ] - [ -0.0008024600000000, -0.0005688100000000, 0.0029635400000000 ] - [ -0.0004762900000000, -0.0010196200000000, -0.0009670700000000 ] - [ -0.0009135600000000, 0.0001303900000000, 0.0000037600000000 ] - [ 0.0029373000000000, -0.0054468200000000, 0.0007127700000000 ] - [ 0.0004410300000000, 0.0005901500000000, -0.0014199500000000 ] - [ 0.0047973400000000, 0.0033105100000000, 0.0060243500000000 ] - [ 0.0006516500000000, -0.0004566500000000, -0.0003000700000000 ] - [ 0.0001456100000000, 0.0001651100000000, 0.0008862700000000 ] - [ 0.0060226600000000, 0.0096958000000000, -0.0010341900000000 ] - [ 0.0009328500000000, -0.0001155700000000, 0.0009073300000000 ] - [ 0.0020239600000000, -0.0023883700000000, -0.0028103300000000 ] - [ -0.0018456400000000, -0.0001593800000000, -0.0025764400000000 ] - [ -0.0444261700000000, -0.0077032100000000, -0.0009733600000000 ] - [ -0.0005592900000000, 0.0005559900000000, -0.0001861800000000 ] - [ -0.0023577000000000, 0.0009379900000000, 0.0006284300000000 ] - [ -0.0009948500000000, -0.0003420200000000, 0.0004707900000000 ] - [ -0.0027560500000000, -0.0011278400000000, -0.0002574600000000 ] - [ -0.0024260000000000, 0.0000633400000000, -0.0006473900000000 ] - [ -0.0192003800000000, -0.0012186000000000, 0.0014171600000000 ] - [ -0.0012293100000000, -0.0006960600000000, 0.0001524500000000 ] - [ -0.0030149700000000, 0.0006184800000000, -0.0004949600000000 ] - [ -0.0016684000000000, -0.0000720000000000, -0.0003597900000000 ] - [ -0.0224074400000000, -0.0011267300000000, -0.0010957600000000 ] - [ -0.0013105600000000, 0.0001283800000000, -0.0002697400000000 ] - [ -0.0109856400000000, 0.0015945900000000, 0.0017547700000000 ] - [ -0.0011120600000000, -0.0000718200000000, 0.0002459400000000 ] - [ -0.0116867900000000, 0.0076171600000000, -0.0021065500000000 ] - [ -0.0022653300000000, -0.0006045000000000, -0.0039472600000000 ] - [ -0.0023358200000000, 0.0008094300000000, 0.0004094800000000 ] - [ 0.0016065900000000, 0.0005382100000000, 0.0002462700000000 ] - [ 0.0006883100000000, 0.0002582000000000, -0.0005934100000000 ] - [ 0.0034180500000000, -0.0036792700000000, 0.0043923400000000 ] - [ 0.0009284800000000, 0.0003989200000000, -0.0001969800000000 ] - [ -0.0014565000000000, -0.0063802300000000, 0.0015022300000000 ] - [ -0.0007861100000000, 0.0027764200000000, 0.0032681200000000 ] - [ 0.0000663200000000, 0.0042286800000000, -0.0014179100000000 ] - [ -0.0001346700000000, -0.0003795200000000, -0.0002606100000000 ] - [ -0.0011366700000000, -0.0024478100000000, -0.0029718100000000 ] - [ -0.0005777200000000, 0.0074935600000000, -0.0009322900000000 ] - [ 0.0002353200000000, -0.0003512200000000, 0.0001841500000000 ] - [ -0.0015251500000000, -0.0016306700000000, 0.0010470400000000 ] - [ 0.0009467700000000, -0.0005301100000000, 0.0004925100000000 ] - [ 0.0009442300000000, 0.0014453300000000, -0.0001512800000000 ] - [ 0.0009468800000000, -0.0005117200000000, 0.0003493800000000 ] - [ 0.0080136100000000, 0.0033941500000000, -0.0043547400000000 ] - [ 0.0058569900000000, -0.0024602100000000, -0.0024528200000000 ] - [ 0.0074900100000000, 0.0028846000000000, 0.0035406700000000 ] - [ 0.0011602900000000, 0.0005899500000000, -0.0003001800000000 ] - [ 0.0037466000000000, -0.0004979700000000, 0.0001442400000000 ] - [ 0.0025796000000000, -0.0000283400000000, 0.0007001400000000 ] - [ 0.0150228600000000, -0.0013573100000000, 0.0005603800000000 ] - [ 0.0037320800000000, 0.0000233500000000, 0.0001064500000000 ] - [ 0.0024284400000000, 0.0001013100000000, 0.0000134300000000 ] - [ 0.0001365700000000, 0.0005350800000000, 0.0002636200000000 ] - [ 0.0015105300000000, 0.0003062900000000, -0.0001569800000000 ] - [ 0.0020028800000000, -0.0002559500000000, 0.0002355500000000 ] - [ 0.0016447400000000, -0.0003157500000000, -0.0001422200000000 ] - [ 0.0008779000000000, 0.0013046700000000, 0.0009719400000000 ] - [ 0.0010646200000000, 0.0000946100000000, -0.0001438900000000 ] - [ -0.0024819800000000, -0.0003068300000000, 0.0021604700000000 ] - [ -0.0330577700000000, 0.0030495700000000, 0.0033088600000000 ] - [ -0.0010660400000000, 0.0013232900000000, -0.0000049000000000 ] - [ -0.0022686900000000, -0.0062185600000000, -0.0026853700000000 ] - [ 0.1645020600000000, 0.0025673100000000, -0.0054426400000000 ] - [ 0.0050095900000000, -0.0005497500000000, 0.0004324100000000 ] - [ 0.0071676600000000, 0.0027704300000000, 0.0021717600000000 ] - [ 0.0014184500000000, 0.0005085300000000, 0.0003895800000000 ] - [ 0.0014249300000000, 0.0171047600000000, 0.0226358200000000 ] - [ 0.0008693700000000, -0.0170632700000000, -0.0241707300000000 ] - [ 0.0005687800000000, -0.0006574300000000, 0.0017164400000000 ] - [ 0.0008522900000000, 0.0008665400000000, -0.0007318500000000 ] - [ 0.0009786400000000, -0.0017904600000000, -0.0008507600000000 ] - [ 0.0024253700000000, 0.0019999500000000, -0.0000306000000000 ] - [ 0.0013863200000000, 0.0005809900000000, 0.0010377300000000 ] - [ 0.0023670800000000, -0.0228481700000000, 0.0179591900000000 ] - [ -0.0032023900000000, -0.0003988900000000, -0.0000708900000000 ] - [ -0.0016306300000000, -0.0005035300000000, -0.0001050900000000 ] - [ -0.0083044100000000, 0.0014931500000000, -0.0008765800000000 ] - [ -0.0023376600000000, 0.0002169000000000, -0.0002705000000000 ] - [ -0.0018078800000000, 0.0023272000000000, -0.0025332500000000 ] - [ -0.0006486800000000, -0.0050859600000000, 0.0035162800000000 ] - [ -0.0015178500000000, 0.0023118800000000, -0.0062168100000000 ] - [ -0.0035055100000000, -0.0000061100000000, 0.0039289500000000 ] - [ 0.0042319700000000, 0.0009169900000000, -0.0015029500000000 ] - [ 0.0067088900000000, 0.0001671600000000, 0.0019510500000000 ] - [ -0.0371977900000000, -0.0094638300000000, -0.0105306200000000 ] - [ -0.0031997000000000, 0.0006508700000000, -0.0018720500000000 ] - [ -0.0039860400000000, 0.0041931600000000, 0.0022088800000000 ] - [ -0.0000998700000000, -0.0018762000000000, 0.0007890700000000 ] - [ -0.0083577800000000, -0.0003069200000000, -0.0007326400000000 ] - [ -0.0019858900000000, -0.0001390900000000, -0.0001439300000000 ] - [ 0.0012742700000000, -0.0035116400000000, 0.0009390900000000 ] - [ 0.0003358400000000, 0.0022471200000000, 0.0003380900000000 ] - [ 0.0019189700000000, 0.0150144600000000, -0.0107564700000000 ] - [ 0.0017441100000000, -0.0001781400000000, -0.0007768300000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0110146300000000, 0.0155377900000000, 0.0034321800000000 ] - [ -0.0015389700000000, 0.0026442200000000, -0.0022413000000000 ] - [ 0.0049542200000000, -0.0023277600000000, -0.0017689000000000 ] - [ -0.0014713400000000, -0.0003910700000000, 0.0001583800000000 ] - [ 0.0030604400000000, 0.0028276200000000, -0.0006379900000000 ] - [ -0.0007796900000000, 0.0013326100000000, 0.0007443000000000 ] - [ -0.0012728100000000, 0.0033824100000000, 0.0000453200000000 ] - [ 0.0000795200000000, 0.0017578600000000, 0.0004529100000000 ] - [ -0.0001101800000000, 0.0023593400000000, 0.0011150600000000 ] - [ -0.0005387600000000, 0.0043902000000000, -0.0006229800000000 ] - [ 0.0004155900000000, 0.0010893100000000, 0.0003949500000000 ] - [ 0.0000174000000000, 0.0025231900000000, -0.0000479500000000 ] - [ 0.0017193600000000, 0.0013889700000000, -0.0028899100000000 ] - [ 0.0141891900000000, 0.0214215200000000, 0.0001520500000000 ] - [ 0.0013442100000000, -0.0004696200000000, 0.0004007000000000 ] - [ -0.0059653100000000, -0.0060464700000000, -0.0023449600000000 ] - [ 0.0054233700000000, -0.0079755600000000, 0.0063134200000000 ] - [ -0.0081202500000000, -0.0091532600000000, 0.0012040400000000 ] - [ -0.0002929400000000, 0.0003599000000000, -0.0008486000000000 ] - [ 0.0007966700000000, 0.0197052800000000, -0.0082115100000000 ] - [ -0.0006738100000000, -0.0023277700000000, 0.0010120200000000 ] - [ 0.0014673700000000, -0.0094836800000000, -0.0005677000000000 ] - [ -0.0001441000000000, -0.0041115400000000, -0.0038320200000000 ] - [ 0.0010817500000000, 0.0170133600000000, -0.0006263500000000 ] - [ 0.0003130100000000, 0.0037928100000000, -0.0044631800000000 ] - [ 0.0008097300000000, 0.0185563100000000, -0.0035710500000000 ] - [ -0.0004598200000000, 0.0030313000000000, 0.0110685200000000 ] - [ -0.0066685300000000, 0.0508520600000000, -0.0125803000000000 ] - [ 0.0005513900000000, 0.0074601800000000, 0.0038126700000000 ] - [ -0.0008605900000000, 0.0059581300000000, 0.0012659100000000 ] - [ 0.0001299700000000, -0.0026924000000000, -0.0005852900000000 ] - [ -0.0004220100000000, -0.0012855300000000, 0.0008814600000000 ] - [ 0.0061747200000000, 0.0006339200000000, 0.0019298100000000 ] - [ -0.0001141300000000, -0.0002984000000000, -0.0000769500000000 ] - [ 0.0040566100000000, -0.0077476200000000, -0.0020071700000000 ] - [ -0.0001914400000000, -0.0035167200000000, -0.0030586700000000 ] - [ -0.0007238700000000, -0.0059293700000000, 0.0011074400000000 ] - [ -0.0000267700000000, -0.0020724900000000, -0.0001151900000000 ] - [ -0.0003829600000000, -0.0022849700000000, -0.0025563100000000 ] - [ -0.0017307100000000, -0.0061689300000000, 0.0002661400000000 ] - [ 0.0006462900000000, -0.0030017800000000, -0.0001580200000000 ] - [ 0.0017681600000000, -0.0108193500000000, 0.0022709600000000 ] - [ 0.0014860500000000, -0.0007794600000000, 0.0008715200000000 ] - [ -0.0015072100000000, -0.0016782100000000, -0.0004045500000000 ] - [ 0.0001971700000000, 0.0002159900000000, -0.0000093900000000 ] - [ -0.0040368900000000, 0.0014106400000000, 0.0017005900000000 ] - [ 0.0015580700000000, 0.0001997200000000, -0.0006811700000000 ] - [ -0.0026851100000000, -0.0005353000000000, -0.0008549400000000 ] - [ -0.0001676100000000, 0.0001913900000000, -0.0002668500000000 ] - [ 0.0004392300000000, -0.0003214000000000, 0.0003366900000000 ] - [ 0.0002915800000000, 0.0004296000000000, -0.0001176500000000 ] - [ -0.0014265700000000, 0.0009347900000000, -0.0000770000000000 ] - [ 0.0002766900000000, 0.0006362000000000, 0.0012610100000000 ] - [ -0.0000077900000000, -0.0011938200000000, -0.0000291500000000 ] - [ -0.0004047500000000, -0.0007749000000000, 0.0001013600000000 ] - [ 0.0005717900000000, -0.0016489400000000, 0.0003175100000000 ] - [ 0.0003373600000000, -0.0019140300000000, -0.0009101100000000 ] - [ -0.0002586000000000, -0.0022431200000000, 0.0001051700000000 ] - [ -0.0008018300000000, -0.0007299100000000, -0.0003064000000000 ] - [ 0.0008492300000000, -0.0003075200000000, -0.0001759100000000 ] - [ -0.0006669600000000, -0.0029957200000000, 0.0004562500000000 ] - [ 0.0052631700000000, -0.0065829600000000, -0.0003580800000000 ] - [ -0.0011212800000000, -0.0005766100000000, -0.0001737100000000 ] - [ 0.0042108300000000, 0.0001986500000000, 0.0004910600000000 ] - [ -0.0045242000000000, -0.1870146700000000, 0.0081078000000000 ] - [ -0.0002446200000000, -0.0139205300000000, 0.0061135500000000 ] - [ -0.0023891200000000, 0.0292534400000000, 0.0245423500000000 ] - [ 0.0002024400000000, 0.0020513300000000, -0.0013618300000000 ] - [ -0.0149307200000000, 0.0038177400000000, 0.0111086600000000 ] - [ 0.0147805800000000, 0.0069761000000000, 0.0121876100000000 ] - [ -0.0014346800000000, 0.0046691600000000, -0.0001634800000000 ] - [ 0.0014245000000000, 0.0064389100000000, -0.0003811200000000 ] - [ -0.0005901700000000, 0.0048123100000000, -0.0030731700000000 ] - [ 0.0025539000000000, 0.0126668700000000, 0.0032087800000000 ] - [ -0.0005116400000000, 0.0014212400000000, 0.0007807600000000 ] - [ 0.0248674400000000, 0.0114790800000000, -0.0120389500000000 ] - [ 0.0001076400000000, 0.0026885200000000, 0.0004050700000000 ] - [ -0.0002139100000000, 0.0016685200000000, -0.0003153600000000 ] - [ -0.0011904000000000, 0.0019048500000000, -0.0002162200000000 ] - [ -0.0000804600000000, 0.0011984200000000, -0.0002219700000000 ] - [ -0.0055398500000000, 0.0003343100000000, -0.0005666900000000 ] - [ 0.0052914100000000, -0.0004900900000000, -0.0010323300000000 ] - [ 0.0004003200000000, -0.0036485300000000, -0.0018546200000000 ] - [ -0.0003090200000000, -0.0021086600000000, -0.0010752300000000 ] - [ 0.0040471600000000, 0.0277693200000000, -0.0302999000000000 ] - [ -0.0013626000000000, -0.0212068600000000, 0.0052407600000000 ] - [ 0.0017324200000000, -0.0072219900000000, -0.0011112800000000 ] - [ 0.0000411800000000, -0.0026140500000000, -0.0000613000000000 ] - [ -0.0050220000000000, -0.0022256800000000, 0.0005022200000000 ] - [ 0.0015567700000000, -0.0016453100000000, -0.0000839600000000 ] - [ 0.0005541600000000, 0.0018749800000000, 0.0009895100000000 ] - [ -0.0000793600000000, 0.0020107500000000, -0.0005430400000000 ] - [ -0.0021875000000000, 0.0111326900000000, 0.0003167800000000 ] - [ 0.0005104600000000, 0.0049219700000000, -0.0006931500000000 ] - [ -0.0260942200000000, 0.0200675000000000, -0.0056051400000000 ] - [ 0.0007421800000000, 0.0010893000000000, 0.0017026800000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0105465200000000, -0.0157158100000000, -0.0033917900000000 ] - [ 0.0018705600000000, -0.0026309600000000, 0.0021979100000000 ] - [ -0.0046511900000000, 0.0023140100000000, 0.0017308200000000 ] - [ 0.0011573400000000, 0.0003648800000000, -0.0001002000000000 ] - [ -0.0029735900000000, -0.0030829400000000, 0.0009877100000000 ] - [ 0.0006725400000000, -0.0015583600000000, -0.0010982600000000 ] - [ 0.0011526000000000, -0.0032028100000000, -0.0004159600000000 ] - [ 0.0000330700000000, -0.0015584300000000, -0.0001005700000000 ] - [ -0.0010908600000000, -0.0011053500000000, -0.0011054600000000 ] - [ 0.0017408700000000, -0.0031853300000000, 0.0006135700000000 ] - [ 0.0007826900000000, -0.0023666600000000, -0.0004151400000000 ] - [ -0.0012170800000000, -0.0038224600000000, 0.0000553600000000 ] - [ -0.0016090800000000, -0.0017517700000000, 0.0028997600000000 ] - [ -0.0138667400000000, -0.0218777400000000, -0.0001406800000000 ] - [ -0.0014727600000000, 0.0008332500000000, -0.0003946200000000 ] - [ 0.0061262900000000, 0.0064382500000000, 0.0023704500000000 ] - [ -0.0054528000000000, 0.0073299900000000, -0.0060501600000000 ] - [ 0.0081708600000000, 0.0085257000000000, -0.0015045500000000 ] - [ -0.0001095500000000, 0.0000299200000000, 0.0002416100000000 ] - [ -0.0005051700000000, -0.0177053600000000, 0.0076181100000000 ] - [ 0.0010790000000000, 0.0019560600000000, -0.0004048100000000 ] - [ -0.0018977200000000, 0.0091533700000000, -0.0000409100000000 ] - [ 0.0001410400000000, 0.0043325400000000, 0.0038622800000000 ] - [ -0.0010729700000000, -0.0169343400000000, 0.0011373300000000 ] - [ -0.0011853400000000, -0.0029828000000000, 0.0046649300000000 ] - [ 0.0000750000000000, -0.0179278900000000, 0.0032158800000000 ] - [ 0.0013378500000000, -0.0038937200000000, -0.0113832800000000 ] - [ 0.0063273600000000, -0.0556845400000000, 0.0139438600000000 ] - [ -0.0005799900000000, -0.0067822300000000, -0.0035316100000000 ] - [ 0.0008802700000000, -0.0052813200000000, -0.0015399100000000 ] - [ -0.0004686500000000, 0.0027172300000000, 0.0006430100000000 ] - [ 0.0007636300000000, 0.0013083400000000, -0.0009386800000000 ] - [ -0.0058250800000000, -0.0006310000000000, -0.0019968600000000 ] - [ -0.0002181900000000, 0.0002842800000000, 0.0001316300000000 ] - [ -0.0039051500000000, 0.0075473600000000, 0.0023400800000000 ] - [ 0.0000753000000000, 0.0033300300000000, 0.0027255000000000 ] - [ 0.0006052300000000, 0.0061644700000000, -0.0014535500000000 ] - [ 0.0001421100000000, 0.0023046900000000, 0.0004637300000000 ] - [ -0.0008133500000000, 0.0035920200000000, 0.0025875800000000 ] - [ 0.0029001200000000, 0.0074568000000000, -0.0002902100000000 ] - [ 0.0005498500000000, 0.0017442000000000, 0.0001444800000000 ] - [ -0.0029718200000000, 0.0095911200000000, -0.0022451000000000 ] - [ -0.0013780000000000, 0.0004196600000000, -0.0008843800000000 ] - [ 0.0014110400000000, 0.0013102000000000, 0.0004152300000000 ] - [ -0.0003147800000000, 0.0001498400000000, 0.0000194800000000 ] - [ 0.0041513200000000, -0.0010231300000000, -0.0017279600000000 ] - [ -0.0015903600000000, -0.0008610800000000, 0.0009864300000000 ] - [ 0.0027175300000000, -0.0001171000000000, 0.0005866500000000 ] - [ -0.0002462100000000, 0.0001853300000000, -0.0003475900000000 ] - [ -0.0000374000000000, 0.0007025300000000, 0.0002796200000000 ] - [ 0.0001134500000000, -0.0008144000000000, 0.0007380400000000 ] - [ 0.0009904000000000, -0.0012995000000000, -0.0005572300000000 ] - [ -0.0002738900000000, -0.0004345400000000, -0.0012644900000000 ] - [ 0.0000067300000000, 0.0009981000000000, 0.0000272000000000 ] - [ -0.0004674600000000, 0.0016161400000000, 0.0001167600000000 ] - [ 0.0003005400000000, 0.0024963600000000, -0.0005356800000000 ] - [ 0.0005339300000000, 0.0011002200000000, 0.0007053600000000 ] - [ -0.0006127200000000, 0.0014334400000000, 0.0001050700000000 ] - [ 0.0007945300000000, 0.0014053800000000, 0.0005941700000000 ] - [ -0.0008357800000000, 0.0009811900000000, -0.0001065600000000 ] - [ 0.0007344300000000, 0.0021347000000000, -0.0010623800000000 ] - [ -0.0053920100000000, 0.0057419800000000, 0.0009589500000000 ] - [ 0.0010694100000000, 0.0014699900000000, 0.0007629300000000 ] - [ -0.0041864900000000, 0.0007142900000000, -0.0010806900000000 ] - [ 0.0036480700000000, 0.1894111300000000, -0.0081971500000000 ] - [ 0.0002925300000000, 0.0134582600000000, -0.0062516100000000 ] - [ 0.0024868100000000, -0.0290138300000000, -0.0249759100000000 ] - [ -0.0002469300000000, -0.0015027400000000, 0.0014604600000000 ] - [ 0.0144546500000000, -0.0045050900000000, -0.0107744800000000 ] - [ -0.0142882800000000, -0.0076479600000000, -0.0123946700000000 ] - [ 0.0018591300000000, -0.0040929300000000, -0.0001201600000000 ] - [ -0.0018474300000000, -0.0058628900000000, 0.0006335500000000 ] - [ 0.0006597200000000, -0.0057222000000000, 0.0025055800000000 ] - [ -0.0026428400000000, -0.0135761500000000, -0.0026380600000000 ] - [ 0.0004519400000000, -0.0005534900000000, -0.0002045200000000 ] - [ -0.0246181500000000, -0.0106071900000000, 0.0113528400000000 ] - [ -0.0001482900000000, -0.0032493700000000, -0.0003304700000000 ] - [ 0.0002534800000000, -0.0022272800000000, 0.0002418500000000 ] - [ 0.0012221400000000, -0.0013924500000000, 0.0001578900000000 ] - [ 0.0000399900000000, -0.0006616200000000, 0.0002947300000000 ] - [ 0.0051661000000000, -0.0009177900000000, 0.0008495300000000 ] - [ -0.0049220200000000, -0.0000783200000000, 0.0007560100000000 ] - [ 0.0000081700000000, 0.0042320300000000, 0.0015938200000000 ] - [ -0.0001020800000000, 0.0027030700000000, 0.0013636400000000 ] - [ -0.0040585400000000, -0.0280891200000000, 0.0306241600000000 ] - [ 0.0013701100000000, 0.0211807100000000, -0.0052196400000000 ] - [ -0.0006799200000000, 0.0082004400000000, 0.0016945500000000 ] - [ -0.0010038400000000, 0.0034933500000000, -0.0004599300000000 ] - [ 0.0040967600000000, 0.0013990500000000, -0.0010212400000000 ] - [ -0.0006092000000000, 0.0008021900000000, 0.0005967600000000 ] - [ -0.0005530700000000, -0.0018684200000000, -0.0009979300000000 ] - [ 0.0000774700000000, -0.0020568900000000, 0.0005433600000000 ] - [ 0.0031824800000000, -0.0102992900000000, 0.0001833300000000 ] - [ -0.0014760900000000, -0.0040894800000000, 0.0001829000000000 ] - [ 0.0249866400000000, -0.0208452500000000, 0.0049882100000000 ] - [ 0.0002093000000000, -0.0019667800000000, -0.0011996400000000 ]- atom: 65 displacement: [ -0.0005876189178017, 0.0000000000000000, 0.0099827202709202 ] forces: - [ -0.0081499000000000, 0.0031196100000000, 0.0129191300000000 ] - [ -0.0052419900000000, 0.0006967200000000, -0.0040463300000000 ] - [ 0.0026354700000000, -0.0018622300000000, 0.0005229900000000 ] - [ -0.0005723100000000, 0.0000387200000000, -0.0015282900000000 ] - [ -0.0003074000000000, -0.0003788100000000, 0.0020768100000000 ] - [ 0.0004486700000000, 0.0006511600000000, -0.0011362400000000 ] - [ -0.0021216500000000, 0.0004928700000000, 0.0026705300000000 ] - [ 0.0001674200000000, 0.0000677600000000, -0.0023448900000000 ] - [ -0.0013090500000000, 0.0017993500000000, -0.0005132500000000 ] - [ 0.0018430700000000, 0.0021723600000000, 0.0015794100000000 ] - [ 0.0001601200000000, -0.0010818200000000, -0.0020762400000000 ] - [ 0.0008048200000000, -0.0010070200000000, 0.0009399500000000 ] - [ 0.0053425400000000, -0.0010263200000000, -0.0062167900000000 ] - [ 0.0005552000000000, 0.0006570000000000, 0.0172678500000000 ] - [ 0.0001844500000000, -0.0000352800000000, -0.0016442100000000 ] - [ -0.0027190100000000, -0.0019269500000000, 0.0015010000000000 ] - [ -0.0013230800000000, 0.0014440700000000, -0.0002679500000000 ] - [ 0.0015821500000000, 0.0022058300000000, 0.0008400000000000 ] - [ -0.0000019000000000, -0.0010858400000000, -0.0051139000000000 ] - [ -0.0009202900000000, -0.0106567000000000, 0.0200532000000000 ] - [ 0.0003607100000000, -0.0004570000000000, -0.0009138000000000 ] - [ -0.0000323900000000, -0.0010408700000000, 0.0028801800000000 ] - [ 0.0003825000000000, -0.0015747800000000, -0.0020493000000000 ] - [ -0.0007682700000000, 0.0004055700000000, 0.0140613900000000 ] - [ 0.0006514200000000, -0.0000062500000000, -0.0126693300000000 ] - [ 0.0014785100000000, -0.0022082900000000, 0.0141571500000000 ] - [ 0.0005855300000000, 0.0043916800000000, -0.0049475900000000 ] - [ -0.0000576700000000, -0.0075970900000000, 0.0172755700000000 ] - [ 0.0072762700000000, 0.0044629900000000, -0.0043266800000000 ] - [ -0.0042981800000000, 0.0049673100000000, -0.0084046700000000 ] - [ 0.0000636700000000, 0.0001195500000000, 0.0011973500000000 ] - [ 0.0006732000000000, -0.0003574100000000, -0.0005006500000000 ] - [ -0.0038769900000000, -0.0004192500000000, 0.0015555000000000 ] - [ -0.0001583000000000, 0.0004085600000000, -0.0025604600000000 ] - [ -0.0018523900000000, -0.0016657200000000, 0.0079290100000000 ] - [ -0.0010295100000000, -0.0023223900000000, -0.0026136600000000 ] - [ 0.0005946200000000, 0.0014813500000000, 0.0004766000000000 ] - [ 0.0002353300000000, -0.0006046100000000, -0.0020821100000000 ] - [ 0.0003445600000000, -0.0025198600000000, -0.0037620000000000 ] - [ 0.0009818800000000, -0.0010410400000000, 0.0056874200000000 ] - [ 0.0006222000000000, -0.0014549200000000, -0.0020325600000000 ] - [ -0.0027798900000000, 0.0034225900000000, -0.0000177100000000 ] - [ -0.0003785500000000, -0.0003608900000000, -0.0004054400000000 ] - [ -0.0003969500000000, 0.0000466700000000, 0.0012954600000000 ] - [ -0.0002403800000000, 0.0001054500000000, -0.0026589600000000 ] - [ 0.0029777400000000, -0.0007134300000000, 0.0012305900000000 ] - [ 0.0037005700000000, -0.0000468000000000, -0.0001950000000000 ] - [ -0.0020641300000000, 0.0006376300000000, 0.0017580500000000 ] - [ -0.0002457600000000, 0.0001563700000000, -0.0009861100000000 ] - [ 0.0004496100000000, -0.0001798700000000, 0.0009531300000000 ] - [ -0.0001135300000000, -0.0005214500000000, -0.0008196500000000 ] - [ 0.0017415300000000, -0.0005081200000000, 0.0015556700000000 ] - [ -0.0000619200000000, 0.0008938000000000, -0.0010769000000000 ] - [ 0.0001103800000000, 0.0002731400000000, 0.0004912100000000 ] - [ -0.0004646100000000, 0.0001942200000000, -0.0006678300000000 ] - [ 0.0003682500000000, 0.0006532900000000, 0.0000503700000000 ] - [ 0.0005537600000000, -0.0009926900000000, -0.0006914800000000 ] - [ -0.0003953900000000, -0.0010911300000000, 0.0014551600000000 ] - [ -0.0007480900000000, 0.0003774700000000, -0.0001954400000000 ] - [ 0.0003795500000000, 0.0004702500000000, -0.0008730600000000 ] - [ -0.0027186800000000, -0.0014798700000000, 0.0026970700000000 ] - [ -0.0023084000000000, -0.0005116800000000, -0.0032795100000000 ] - [ -0.0002014200000000, 0.0001410400000000, 0.0019529800000000 ] - [ 0.0020091300000000, 0.0006366500000000, -0.0023107200000000 ] - [ 0.0149346600000000, 0.0076331600000000, -0.1210412800000000 ] - [ -0.0002160100000000, -0.0064633600000000, 0.0271462600000000 ] - [ -0.0016920000000000, 0.0250795400000000, -0.0126185700000000 ] - [ -0.0002981500000000, 0.0016797900000000, 0.0066879600000000 ] - [ -0.0223249900000000, 0.0143479000000000, 0.0034458300000000 ] - [ 0.0236654600000000, 0.0117399700000000, -0.0039126100000000 ] - [ -0.0009588800000000, 0.0011953100000000, 0.0025110100000000 ] - [ 0.0008811600000000, 0.0003658500000000, 0.0032146000000000 ] - [ 0.0003562000000000, 0.0005249500000000, 0.0015987400000000 ] - [ 0.0004983700000000, -0.0012939300000000, -0.0040998300000000 ] - [ -0.0011058100000000, -0.0003679300000000, 0.0083909000000000 ] - [ -0.0165217600000000, -0.0106404800000000, -0.0029548700000000 ] - [ -0.0000947000000000, 0.0000845100000000, -0.0011297500000000 ] - [ -0.0000115700000000, -0.0000090200000000, 0.0005478200000000 ] - [ 0.0003589800000000, 0.0001557000000000, -0.0016845600000000 ] - [ 0.0001463500000000, 0.0005363100000000, 0.0020098700000000 ] - [ 0.0012182800000000, -0.0009929500000000, -0.0011979900000000 ] - [ -0.0012525300000000, -0.0014475000000000, -0.0006236000000000 ] - [ 0.0053829200000000, 0.0007894000000000, 0.0027301900000000 ] - [ -0.0050825000000000, 0.0006716500000000, 0.0030264400000000 ] - [ -0.0001406500000000, -0.0127665100000000, 0.0045303300000000 ] - [ -0.0042122000000000, -0.0102231700000000, 0.0360733100000000 ] - [ -0.0027591800000000, -0.0023362000000000, -0.0067930600000000 ] - [ 0.0026971800000000, -0.0016844400000000, 0.0029527300000000 ] - [ -0.0026421800000000, 0.0002213300000000, -0.0028531400000000 ] - [ 0.0009507900000000, -0.0004839100000000, 0.0023996700000000 ] - [ -0.0008384800000000, 0.0023295800000000, -0.0009432500000000 ] - [ 0.0002539200000000, 0.0002850300000000, 0.0008982500000000 ] - [ -0.0002365400000000, 0.0010115400000000, -0.0024999500000000 ] - [ -0.0011715300000000, 0.0022712200000000, 0.0021009900000000 ] - [ 0.0162699800000000, -0.0111453700000000, -0.0063672000000000 ] - [ 0.0015385700000000, 0.0000773700000000, 0.0053527700000000 ]- atom: 65 displacement: [ 0.0005876189178017, 0.0000000000000000, -0.0099827202709202 ] forces: - [ 0.0079122000000000, -0.0031066800000000, -0.0129692800000000 ] - [ 0.0055198800000000, -0.0006781300000000, 0.0039735000000000 ] - [ -0.0023215200000000, 0.0018420400000000, -0.0005956000000000 ] - [ 0.0002516800000000, -0.0000549300000000, 0.0015836900000000 ] - [ 0.0004288100000000, 0.0001458200000000, -0.0017247700000000 ] - [ -0.0005536900000000, -0.0008549300000000, 0.0007990300000000 ] - [ 0.0020306700000000, -0.0002737800000000, -0.0030486000000000 ] - [ -0.0000664800000000, 0.0001534300000000, 0.0026948100000000 ] - [ 0.0001044700000000, -0.0005213000000000, 0.0005409200000000 ] - [ -0.0006566300000000, -0.0009305000000000, -0.0015970100000000 ] - [ 0.0010471000000000, -0.0001780100000000, 0.0020615200000000 ] - [ -0.0020111900000000, -0.0002466200000000, -0.0009568300000000 ] - [ -0.0051904600000000, 0.0006562600000000, 0.0061913400000000 ] - [ -0.0009270200000000, -0.0010955500000000, -0.0173044600000000 ] - [ -0.0003096600000000, 0.0004031200000000, 0.0016520900000000 ] - [ 0.0028366800000000, 0.0022888700000000, -0.0015287500000000 ] - [ 0.0013332200000000, -0.0021506100000000, 0.0005972200000000 ] - [ -0.0016065800000000, -0.0029111400000000, -0.0011048200000000 ] - [ -0.0004093600000000, 0.0014512900000000, 0.0045080000000000 ] - [ 0.0012315900000000, 0.0117762700000000, -0.0197867200000000 ] - [ 0.0000388600000000, 0.0000804300000000, 0.0015375500000000 ] - [ -0.0003658400000000, 0.0006434400000000, -0.0035148100000000 ] - [ -0.0003836800000000, 0.0017796900000000, 0.0020293200000000 ] - [ 0.0007711000000000, 0.0003364500000000, -0.0121887700000000 ] - [ -0.0015217200000000, 0.0008587000000000, 0.0128801200000000 ] - [ -0.0005203400000000, 0.0022209800000000, -0.0161628900000000 ] - [ 0.0002786600000000, -0.0051523600000000, 0.0047516600000000 ] - [ -0.0008190100000000, 0.0066775100000000, -0.0170743000000000 ] - [ -0.0073508300000000, -0.0038299400000000, 0.0046349400000000 ] - [ 0.0043443900000000, -0.0043254600000000, 0.0081630000000000 ] - [ -0.0003972400000000, -0.0001075200000000, -0.0011475500000000 ] - [ -0.0003451300000000, 0.0003721800000000, 0.0004558700000000 ] - [ 0.0042204100000000, 0.0004038600000000, -0.0016338600000000 ] - [ -0.0001813800000000, -0.0004356500000000, 0.0026158200000000 ] - [ 0.0019774500000000, 0.0014341200000000, -0.0075784100000000 ] - [ 0.0009163000000000, 0.0021069600000000, 0.0022783300000000 ] - [ -0.0007000400000000, -0.0012581500000000, -0.0008247500000000 ] - [ -0.0001262000000000, 0.0008049000000000, 0.0024283000000000 ] - [ -0.0015443900000000, 0.0037735300000000, 0.0037818300000000 ] - [ 0.0002135700000000, 0.0023175200000000, -0.0057002100000000 ] - [ 0.0005772500000000, 0.0001763800000000, 0.0020185200000000 ] - [ 0.0015703300000000, -0.0046799100000000, 0.0000240400000000 ] - [ 0.0004992000000000, -0.0000004300000000, 0.0004077000000000 ] - [ 0.0002761800000000, -0.0004124700000000, -0.0012905600000000 ] - [ 0.0001399700000000, 0.0002521800000000, 0.0026682500000000 ] - [ -0.0028535900000000, 0.0010904500000000, -0.0012759800000000 ] - [ -0.0036959400000000, -0.0006188500000000, 0.0004914400000000 ] - [ 0.0020785000000000, -0.0012883800000000, -0.0020203300000000 ] - [ -0.0001549000000000, 0.0002286100000000, 0.0003715900000000 ] - [ -0.0000372500000000, 0.0005537300000000, -0.0003426500000000 ] - [ 0.0005168500000000, 0.0001408100000000, 0.0014385400000000 ] - [ -0.0021520300000000, 0.0001387600000000, -0.0021830400000000 ] - [ 0.0000648300000000, -0.0006978700000000, 0.0010662700000000 ] - [ -0.0001101800000000, -0.0004815100000000, -0.0004853900000000 ] - [ -0.0004074300000000, 0.0006251600000000, 0.0008725300000000 ] - [ 0.0005050800000000, 0.0001750500000000, -0.0002635000000000 ] - [ 0.0003203000000000, 0.0001622500000000, 0.0004884900000000 ] - [ -0.0004753400000000, 0.0002662700000000, -0.0012455300000000 ] - [ 0.0007396200000000, 0.0002935100000000, 0.0004755200000000 ] - [ -0.0003649600000000, 0.0001991900000000, 0.0005843600000000 ] - [ 0.0027577400000000, 0.0005913100000000, -0.0032937200000000 ] - [ 0.0021447800000000, -0.0003594800000000, 0.0038824400000000 ] - [ 0.0001438600000000, 0.0007276500000000, -0.0013720000000000 ] - [ -0.0019484000000000, 0.0002435800000000, 0.0017466800000000 ] - [ -0.0148696400000000, -0.0090574000000000, 0.1216253600000000 ] - [ 0.0002689900000000, 0.0059103600000000, -0.0270292200000000 ] - [ 0.0017422000000000, -0.0246376400000000, 0.0127142400000000 ] - [ 0.0002554200000000, -0.0011642600000000, -0.0066082800000000 ] - [ 0.0217373200000000, -0.0148460000000000, -0.0031947400000000 ] - [ -0.0230813100000000, -0.0122596600000000, 0.0035464000000000 ] - [ 0.0013746700000000, -0.0006045100000000, -0.0027754000000000 ] - [ -0.0012996100000000, 0.0002283300000000, -0.0029239100000000 ] - [ -0.0002856000000000, -0.0013912900000000, -0.0022081300000000 ] - [ -0.0005519900000000, 0.0004466500000000, 0.0046976200000000 ] - [ 0.0010357100000000, 0.0012797700000000, -0.0078222700000000 ] - [ 0.0166915400000000, 0.0115584700000000, 0.0024842800000000 ] - [ 0.0000549400000000, -0.0006332900000000, 0.0012026800000000 ] - [ 0.0000479700000000, -0.0005397500000000, -0.0006268800000000 ] - [ -0.0003294300000000, 0.0003860600000000, 0.0016315500000000 ] - [ -0.0001881800000000, 0.0000265800000000, -0.0019389500000000 ] - [ -0.0016520800000000, 0.0004079500000000, 0.0014561900000000 ] - [ 0.0016803000000000, 0.0008619700000000, 0.0003192300000000 ] - [ -0.0050174400000000, -0.0002056200000000, -0.0029964400000000 ] - [ 0.0047106200000000, -0.0000904500000000, -0.0027237600000000 ] - [ 0.0001773100000000, 0.0127958000000000, -0.0047131600000000 ] - [ 0.0042572000000000, 0.0102171700000000, -0.0364565000000000 ] - [ 0.0037842600000000, 0.0032244000000000, 0.0073540400000000 ] - [ -0.0036265300000000, 0.0025285800000000, -0.0034610300000000 ] - [ 0.0016843400000000, -0.0010695900000000, 0.0023722500000000 ] - [ -0.0000002200000000, -0.0003867700000000, -0.0018967400000000 ] - [ 0.0008279500000000, -0.0022879600000000, 0.0009255100000000 ] - [ -0.0002545300000000, -0.0003223100000000, -0.0008885100000000 ] - [ 0.0011863100000000, -0.0001401500000000, 0.0030168500000000 ] - [ 0.0002132500000000, -0.0013897200000000, -0.0026154600000000 ] - [ -0.0172876300000000, 0.0103206400000000, 0.0059051500000000 ] - [ -0.0005692400000000, -0.0009084700000000, -0.0048520800000000 ]- atom: 69 displacement: [ 0.0099999882271062, 0.0000000000000000, 0.0000153446321733 ] forces: - [ 0.0167738900000000, -0.0000748000000000, 0.0003723300000000 ] - [ -0.0064971600000000, 0.0021943700000000, -0.0037547800000000 ] - [ -0.0008790700000000, -0.0002280700000000, -0.0001417100000000 ] - [ 0.0016051800000000, -0.0005906200000000, 0.0005427400000000 ] - [ -0.0009355900000000, -0.0001423100000000, 0.0001457200000000 ] - [ 0.0007888800000000, -0.0034673700000000, 0.0001123900000000 ] - [ 0.0007899500000000, -0.0002396300000000, -0.0000713800000000 ] - [ -0.0014685600000000, 0.0000492200000000, 0.0000650300000000 ] - [ -0.0021486100000000, 0.0008325200000000, -0.0000980200000000 ] - [ 0.0015557000000000, -0.0005725500000000, -0.0009646500000000 ] - [ 0.0007490100000000, -0.0023126500000000, 0.0029362500000000 ] - [ -0.0015448200000000, -0.0007608200000000, -0.0003149900000000 ] - [ 0.0231548400000000, -0.0008701300000000, 0.0006230800000000 ] - [ -0.0074462800000000, 0.0008914900000000, 0.0046063800000000 ] - [ -0.0011455000000000, -0.0001287500000000, -0.0002628600000000 ] - [ 0.0017678600000000, 0.0001803900000000, 0.0000792700000000 ] - [ -0.0012403100000000, -0.0000770300000000, 0.0000496800000000 ] - [ 0.0021634800000000, 0.0001117900000000, 0.0000214900000000 ] - [ 0.0008260100000000, -0.0009033300000000, -0.0035885600000000 ] - [ 0.0021678500000000, -0.0013577600000000, 0.0034498100000000 ] - [ 0.0011869800000000, 0.0000168500000000, -0.0000304700000000 ] - [ 0.0002681500000000, -0.0005879300000000, 0.0000980100000000 ] - [ 0.0004968700000000, 0.0005850300000000, 0.0000931200000000 ] - [ 0.0307061000000000, -0.0055353100000000, -0.0004017300000000 ] - [ 0.0002561900000000, 0.0017000200000000, -0.0022531100000000 ] - [ 0.0006048000000000, 0.0017377800000000, 0.0024857600000000 ] - [ 0.0011220000000000, 0.0032383000000000, -0.0010612100000000 ] - [ -0.0001769200000000, 0.0032941000000000, 0.0009571700000000 ] - [ -0.0013216300000000, 0.0006056900000000, 0.0004056800000000 ] - [ 0.0025516000000000, 0.0002325400000000, 0.0002556000000000 ] - [ -0.0026319000000000, -0.0005663600000000, -0.0001718300000000 ] - [ 0.0023790600000000, -0.0004929900000000, 0.0006602500000000 ] - [ 0.0025354700000000, 0.0005985200000000, -0.0001877500000000 ] - [ -0.0032748700000000, 0.0002658300000000, -0.0006943600000000 ] - [ 0.0103408600000000, 0.0022535500000000, -0.0020067700000000 ] - [ -0.0027841000000000, -0.0031321700000000, -0.0039160800000000 ] - [ -0.0006949200000000, -0.0009718000000000, 0.0008960600000000 ] - [ 0.0007102000000000, -0.0000692000000000, -0.0005910200000000 ] - [ 0.0102921300000000, 0.0046677000000000, 0.0032705600000000 ] - [ -0.0019920700000000, -0.0028596300000000, 0.0036923900000000 ] - [ 0.0001678500000000, -0.0016452200000000, -0.0011546100000000 ] - [ 0.0000612200000000, -0.0010833000000000, 0.0002056400000000 ] - [ -0.0024587100000000, 0.0001022300000000, -0.0000386400000000 ] - [ 0.0016597200000000, 0.0000704900000000, -0.0005108800000000 ] - [ 0.0023254800000000, 0.0010513900000000, 0.0038182500000000 ] - [ -0.0037097200000000, 0.0000493400000000, -0.0001584500000000 ] - [ 0.0272916400000000, 0.0022588300000000, 0.0024806400000000 ] - [ -0.0132826100000000, -0.0007781800000000, -0.0015686900000000 ] - [ -0.0009740600000000, 0.0003704200000000, 0.0002461500000000 ] - [ -0.0005954700000000, 0.0009410800000000, -0.0001628300000000 ] - [ -0.0061282500000000, -0.0021136200000000, 0.0033322300000000 ] - [ -0.0027753600000000, -0.0021380100000000, -0.0051154800000000 ] - [ -0.0011482800000000, -0.0005661700000000, 0.0001620500000000 ] - [ -0.0008480600000000, 0.0009599700000000, -0.0000522600000000 ] - [ -0.0006526200000000, 0.0015549200000000, 0.0012710400000000 ] - [ 0.0001742000000000, 0.0015987800000000, -0.0013468100000000 ] - [ -0.0051813900000000, 0.0061954100000000, 0.0054978100000000 ] - [ -0.0054993900000000, 0.0053841000000000, -0.0063740800000000 ] - [ 0.0007797900000000, 0.0004521300000000, 0.0001532700000000 ] - [ -0.0013434900000000, 0.0006937600000000, -0.0002460600000000 ] - [ -0.0010265400000000, 0.0164152000000000, -0.0246266300000000 ] - [ 0.0076530800000000, 0.0004821600000000, 0.0017373200000000 ] - [ 0.0018406500000000, 0.0002668200000000, 0.0003178800000000 ] - [ -0.0009619500000000, 0.0011762000000000, 0.0004353200000000 ] - [ -0.0016364200000000, -0.0150150000000000, -0.0222132700000000 ] - [ -0.0006602900000000, -0.0149102200000000, 0.0234364500000000 ] - [ -0.0003682400000000, -0.0013821500000000, -0.0012263100000000 ] - [ -0.0010706400000000, -0.0013778000000000, 0.0010693800000000 ] - [ -0.1377951100000000, 0.0026654300000000, 0.0050587500000000 ] - [ 0.0290574200000000, 0.0044266600000000, -0.0017470000000000 ] - [ 0.0012984600000000, 0.0012510300000000, -0.0000504000000000 ] - [ -0.0016958500000000, 0.0007051100000000, -0.0002485700000000 ] - [ 0.0015815700000000, 0.0024368500000000, 0.0008292000000000 ] - [ -0.0030788900000000, 0.0003509300000000, -0.0002433100000000 ] - [ -0.0083708300000000, -0.0006892100000000, 0.0002850800000000 ] - [ 0.0033853000000000, 0.0008727800000000, -0.0034032200000000 ] - [ 0.0015799500000000, -0.0055960200000000, 0.0015594600000000 ] - [ 0.0009080000000000, -0.0053520900000000, -0.0014507700000000 ] - [ 0.0017732800000000, 0.0004679800000000, 0.0052512700000000 ] - [ 0.0032778800000000, 0.0003791300000000, -0.0046467900000000 ] - [ 0.0022298100000000, -0.0004486300000000, 0.0003394900000000 ] - [ -0.0016142100000000, 0.0011320600000000, 0.0003163500000000 ] - [ -0.0015521000000000, 0.0002351200000000, -0.0016721000000000 ] - [ 0.0023929200000000, 0.0001888900000000, 0.0004393200000000 ] - [ -0.0008988900000000, -0.0035624800000000, 0.0000332700000000 ] - [ -0.0011153600000000, 0.0010570600000000, -0.0003100600000000 ] - [ -0.0023269000000000, 0.0077389500000000, 0.0096216700000000 ] - [ 0.0074439100000000, 0.0006456200000000, 0.0007118800000000 ] - [ 0.0013364900000000, -0.0003870600000000, -0.0002263700000000 ] - [ -0.0005618800000000, 0.0016640500000000, -0.0010307900000000 ] - [ 0.0357475200000000, -0.0113928500000000, 0.0047605000000000 ] - [ 0.0005727400000000, -0.0014979300000000, -0.0000853700000000 ] - [ 0.0024957100000000, 0.0041391400000000, -0.0009937700000000 ] - [ -0.0037246800000000, 0.0017670200000000, -0.0000353000000000 ] - [ -0.0076763900000000, 0.0002078400000000, -0.0022788000000000 ] - [ 0.0040872400000000, 0.0000665900000000, 0.0045404500000000 ]- atom: 69 displacement: [ -0.0099999882271062, 0.0000000000000000, -0.0000153446321733 ] forces: - [ -0.0170289700000000, 0.0002460600000000, -0.0000595100000000 ] - [ 0.0068221400000000, -0.0021602100000000, 0.0036846200000000 ] - [ 0.0012227600000000, 0.0002140600000000, 0.0000912800000000 ] - [ -0.0019433800000000, 0.0005901200000000, -0.0004939100000000 ] - [ 0.0010464100000000, -0.0000623200000000, 0.0001990600000000 ] - [ -0.0009094600000000, 0.0032788800000000, -0.0004564400000000 ] - [ -0.0009118900000000, 0.0004592100000000, -0.0002769300000000 ] - [ 0.0015797000000000, 0.0001766900000000, 0.0002705600000000 ] - [ 0.0009482300000000, 0.0004579100000000, 0.0001180400000000 ] - [ -0.0003767700000000, 0.0018445500000000, 0.0009498300000000 ] - [ 0.0004488000000000, 0.0010534600000000, -0.0029773900000000 ] - [ 0.0003466600000000, -0.0004976900000000, 0.0003366700000000 ] - [ -0.0230662200000000, 0.0005947800000000, -0.0009261700000000 ] - [ 0.0073203600000000, -0.0012391800000000, -0.0045694900000000 ] - [ 0.0010419500000000, 0.0004893800000000, 0.0002714400000000 ] - [ -0.0016484700000000, 0.0002041400000000, -0.0000973900000000 ] - [ 0.0012354100000000, -0.0005892900000000, 0.0002340900000000 ] - [ -0.0021415600000000, -0.0007534200000000, -0.0002977100000000 ] - [ -0.0011893800000000, 0.0012646300000000, 0.0029496600000000 ] - [ -0.0017056300000000, 0.0017003200000000, -0.0028247900000000 ] - [ -0.0007423200000000, -0.0003453400000000, 0.0006638600000000 ] - [ -0.0006388700000000, 0.0002090900000000, -0.0007163600000000 ] - [ -0.0004795100000000, -0.0003738500000000, -0.0000914200000000 ] - [ -0.0278764600000000, 0.0040964100000000, 0.0003367600000000 ] - [ -0.0011221500000000, -0.0008563300000000, 0.0024458700000000 ] - [ 0.0002724600000000, -0.0009016900000000, -0.0026790600000000 ] - [ -0.0002400700000000, -0.0040429200000000, 0.0008460100000000 ] - [ -0.0006873200000000, -0.0041055700000000, -0.0007392100000000 ] - [ 0.0013205900000000, 0.0000685900000000, -0.0001184200000000 ] - [ -0.0025288100000000, 0.0004146000000000, -0.0005208900000000 ] - [ 0.0023050000000000, 0.0005751000000000, 0.0002257800000000 ] - [ -0.0021133500000000, 0.0005648900000000, -0.0007199700000000 ] - [ -0.0022512800000000, -0.0006461300000000, 0.0000999400000000 ] - [ 0.0029556600000000, -0.0002888000000000, 0.0007411100000000 ] - [ -0.0102608400000000, -0.0025782600000000, 0.0023629300000000 ] - [ 0.0026661000000000, 0.0028888100000000, 0.0035318900000000 ] - [ 0.0005914700000000, 0.0011759600000000, -0.0012341200000000 ] - [ -0.0006088700000000, 0.0003143100000000, 0.0010027900000000 ] - [ -0.0115380600000000, -0.0035564200000000, -0.0032612700000000 ] - [ 0.0031820200000000, 0.0040954000000000, -0.0036744800000000 ] - [ 0.0010420800000000, 0.0003682400000000, 0.0011309200000000 ] - [ -0.0012521100000000, -0.0001576300000000, -0.0002468800000000 ] - [ 0.0025816100000000, -0.0004643200000000, 0.0000275000000000 ] - [ -0.0018247200000000, -0.0004136600000000, 0.0005182600000000 ] - [ -0.0024939600000000, -0.0007073500000000, -0.0038336600000000 ] - [ 0.0038328500000000, 0.0003077100000000, 0.0001614300000000 ] - [ -0.0301865000000000, -0.0036014500000000, -0.0018611200000000 ] - [ 0.0132936700000000, 0.0001198000000000, 0.0012897800000000 ] - [ 0.0005611500000000, 0.0000121300000000, -0.0008628100000000 ] - [ 0.0009879700000000, -0.0005623200000000, 0.0007833400000000 ] - [ 0.0065315600000000, 0.0017371000000000, -0.0027308100000000 ] - [ 0.0023606400000000, 0.0017827100000000, 0.0045483100000000 ] - [ 0.0011344500000000, 0.0007727700000000, -0.0001634700000000 ] - [ 0.0008313500000000, -0.0011716300000000, 0.0000487000000000 ] - [ -0.0002277100000000, -0.0007365200000000, -0.0010684400000000 ] - [ 0.0006914600000000, -0.0007820300000000, 0.0011496600000000 ] - [ 0.0060950600000000, -0.0070831800000000, -0.0057624500000000 ] - [ 0.0046726000000000, -0.0062823300000000, 0.0066555600000000 ] - [ -0.0008140500000000, 0.0002186000000000, 0.0001303600000000 ] - [ 0.0013616500000000, -0.0000252600000000, -0.0000383300000000 ] - [ 0.0011248600000000, -0.0174787100000000, 0.0242740400000000 ] - [ -0.0077283700000000, -0.0013792900000000, -0.0011743100000000 ] - [ -0.0019054800000000, 0.0005980300000000, 0.0002726200000000 ] - [ 0.0010469800000000, -0.0003149400000000, -0.0010171000000000 ] - [ 0.0015652800000000, 0.0143385800000000, 0.0221044700000000 ] - [ 0.0006876900000000, 0.0141968600000000, -0.0233026600000000 ] - [ 0.0003861100000000, 0.0019124000000000, 0.0011477900000000 ] - [ 0.0010187200000000, 0.0018962600000000, -0.0010008700000000 ] - [ 0.1376423800000000, -0.0007953500000000, -0.0052167500000000 ] - [ -0.0284484400000000, -0.0050251400000000, 0.0014597500000000 ] - [ -0.0009033300000000, -0.0006534400000000, -0.0002314600000000 ] - [ 0.0012909100000000, -0.0001548400000000, 0.0005266500000000 ] - [ -0.0015601000000000, -0.0032863100000000, -0.0014064500000000 ] - [ 0.0029990000000000, -0.0013753600000000, 0.0008710800000000 ] - [ 0.0083154300000000, 0.0016738300000000, 0.0001428300000000 ] - [ -0.0033457100000000, 0.0000074800000000, 0.0027901500000000 ] - [ -0.0015920200000000, 0.0051095700000000, -0.0014973200000000 ] - [ -0.0008300300000000, 0.0048580200000000, 0.0013866500000000 ] - [ -0.0017020200000000, 0.0000828800000000, -0.0053828300000000 ] - [ -0.0033111100000000, 0.0001699800000000, 0.0047683100000000 ] - [ -0.0026431700000000, -0.0001514500000000, -0.0000604200000000 ] - [ 0.0020500000000000, -0.0017531100000000, -0.0005899900000000 ] - [ 0.0019812600000000, 0.0003702100000000, 0.0014135300000000 ] - [ -0.0028063400000000, 0.0004038500000000, -0.0001638200000000 ] - [ 0.0008705200000000, 0.0035677700000000, -0.0000329300000000 ] - [ 0.0010921300000000, -0.0010795500000000, 0.0003123500000000 ] - [ 0.0033816300000000, -0.0069289500000000, -0.0091548500000000 ] - [ -0.0084012300000000, 0.0001962400000000, -0.0012073700000000 ] - [ -0.0022937000000000, -0.0004881200000000, -0.0002869400000000 ] - [ 0.0015368400000000, -0.0025454600000000, 0.0015364500000000 ] - [ -0.0361819100000000, 0.0115151600000000, -0.0047674500000000 ] - [ -0.0005579300000000, 0.0014794900000000, 0.0000864200000000 ] - [ -0.0015683400000000, -0.0032442100000000, 0.0014860000000000 ] - [ 0.0027903000000000, -0.0011252500000000, -0.0005777500000000 ] - [ 0.0066721800000000, -0.0009889500000000, 0.0019867000000000 ] - [ -0.0031481100000000, -0.0009194800000000, -0.0039977000000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004685600000000, 0.0155373800000000, 0.0049488400000000 ] - [ 0.0032377900000000, -0.0000149800000000, 0.0010931200000000 ] - [ -0.0003995600000000, -0.0008757300000000, -0.0002177100000000 ] - [ 0.0004930200000000, -0.0028212000000000, 0.0005753900000000 ] - [ -0.0000215700000000, -0.0015805600000000, 0.0003081200000000 ] - [ -0.0007178600000000, -0.0053848800000000, 0.0004187600000000 ] - [ -0.0019359300000000, -0.0027804500000000, -0.0045065500000000 ] - [ 0.0001259100000000, -0.0007632000000000, 0.0006365600000000 ] - [ -0.0005263400000000, -0.0010207700000000, -0.0001261100000000 ] - [ -0.0016454900000000, -0.0071097800000000, 0.0003859300000000 ] - [ 0.0002812200000000, -0.0018127500000000, 0.0013816000000000 ] - [ -0.0008192400000000, -0.0013852100000000, -0.0003857300000000 ] - [ -0.0009761300000000, 0.0176339300000000, 0.0026599400000000 ] - [ 0.0033511700000000, 0.0015037400000000, -0.0021992700000000 ] - [ -0.0008860200000000, -0.0008036000000000, -0.0003080900000000 ] - [ 0.0003059900000000, -0.0037313700000000, 0.0010430600000000 ] - [ -0.0004142100000000, -0.0022639800000000, 0.0005785200000000 ] - [ -0.0008798300000000, -0.0058339500000000, -0.0012336600000000 ] - [ -0.0006749400000000, 0.0053168300000000, 0.0007200200000000 ] - [ -0.0031875300000000, 0.0084688300000000, 0.0002713000000000 ] - [ -0.0044503400000000, -0.0075187200000000, -0.0023981900000000 ] - [ -0.0030889400000000, -0.0021590600000000, 0.0005283100000000 ] - [ -0.0013535900000000, -0.0013829500000000, -0.0001804800000000 ] - [ -0.0081476900000000, 0.0220925800000000, -0.0002267200000000 ] - [ -0.0000553800000000, -0.0016724800000000, 0.0023133700000000 ] - [ 0.0010916000000000, -0.0007913900000000, -0.0021688000000000 ] - [ 0.0009996500000000, -0.0062401700000000, 0.0002964600000000 ] - [ 0.0005437200000000, -0.0053615300000000, -0.0000166700000000 ] - [ -0.0003110400000000, 0.0010443400000000, 0.0003484900000000 ] - [ -0.0003387000000000, 0.0034609600000000, -0.0011460200000000 ] - [ -0.0001959800000000, -0.0003350200000000, -0.0000956200000000 ] - [ 0.0062542300000000, -0.0077622400000000, -0.0000694100000000 ] - [ 0.0026902000000000, 0.0071863700000000, 0.0021867200000000 ] - [ -0.0004196900000000, 0.0009269600000000, 0.0001767900000000 ] - [ 0.0002773500000000, 0.0297430900000000, -0.0128212800000000 ] - [ -0.0017844600000000, 0.0028807800000000, 0.0006210300000000 ] - [ -0.0004956000000000, 0.0008666500000000, -0.0001943500000000 ] - [ 0.0008032400000000, -0.0012970200000000, -0.0085402700000000 ] - [ 0.0036008300000000, 0.0418215500000000, 0.0174871100000000 ] - [ -0.0012690700000000, 0.0035979200000000, -0.0009291100000000 ] - [ -0.0001147300000000, 0.0002175300000000, -0.0001830700000000 ] - [ -0.0015555300000000, -0.0042774200000000, 0.0075006900000000 ] - [ 0.0000351600000000, -0.0010380900000000, 0.0000529900000000 ] - [ 0.0036428100000000, -0.0047972900000000, 0.0007658900000000 ] - [ 0.0002132400000000, 0.0046808300000000, 0.0018541700000000 ] - [ -0.0000509600000000, 0.0013557500000000, -0.0007896000000000 ] - [ 0.0094081400000000, 0.0175049300000000, -0.0030081600000000 ] - [ 0.0007324400000000, 0.0004265900000000, -0.0004590900000000 ] - [ 0.0000953400000000, -0.0013511100000000, -0.0005496100000000 ] - [ 0.0005613900000000, -0.0009352800000000, 0.0003330500000000 ] - [ -0.0015854800000000, 0.0004824200000000, 0.0012099600000000 ] - [ -0.0045655300000000, 0.0012802600000000, -0.0024276000000000 ] - [ 0.0002066900000000, 0.0007342800000000, 0.0001859700000000 ] - [ 0.0011433100000000, -0.0012201800000000, 0.0003955000000000 ] - [ 0.0002020800000000, 0.0012795800000000, 0.0000523500000000 ] - [ 0.0008628600000000, 0.0012123800000000, 0.0000110700000000 ] - [ 0.0006658100000000, 0.0035986600000000, 0.0013358600000000 ] - [ 0.0016085000000000, 0.0026564600000000, -0.0007938900000000 ] - [ 0.0013294500000000, -0.0007009000000000, -0.0002619100000000 ] - [ 0.0000096100000000, -0.0000194100000000, -0.0000433600000000 ] - [ 0.0176922900000000, 0.0039741000000000, -0.0112532400000000 ] - [ 0.0006184400000000, 0.0006281300000000, 0.0012246400000000 ] - [ 0.0002137100000000, 0.0021782300000000, 0.0001137600000000 ] - [ -0.0012166700000000, 0.0065766600000000, 0.0005612400000000 ] - [ -0.0173159600000000, 0.0039118700000000, 0.0136278100000000 ] - [ -0.0167661800000000, 0.0070616100000000, -0.0130149600000000 ] - [ 0.0009867500000000, 0.0046583300000000, 0.0009124700000000 ] - [ 0.0005450500000000, 0.0064334600000000, 0.0000125800000000 ] - [ 0.0012113400000000, -0.1572627400000000, -0.0087211300000000 ] - [ -0.0045464700000000, -0.0073755800000000, 0.0001577500000000 ] - [ 0.0011546300000000, 0.0006861400000000, 0.0002162300000000 ] - [ -0.0006326700000000, 0.0057320800000000, 0.0001295200000000 ] - [ 0.0046735600000000, 0.0001459900000000, 0.0000064600000000 ] - [ 0.0013058800000000, 0.0191039800000000, -0.0066591100000000 ] - [ -0.0008657000000000, -0.0272398100000000, 0.0100377400000000 ] - [ 0.0019273800000000, -0.0022531500000000, 0.0004036800000000 ] - [ -0.0026651900000000, 0.0003488400000000, -0.0008183700000000 ] - [ -0.0047606200000000, -0.0004869300000000, 0.0008377500000000 ] - [ -0.0019893700000000, -0.0036747300000000, 0.0003441300000000 ] - [ -0.0003214700000000, -0.0021429300000000, -0.0003684800000000 ] - [ -0.0003499600000000, 0.0016802700000000, 0.0000741700000000 ] - [ -0.0012502500000000, 0.0088686200000000, -0.0025485800000000 ] - [ 0.0001327300000000, -0.0028856200000000, -0.0000159500000000 ] - [ -0.0000939700000000, -0.0001034200000000, 0.0003863800000000 ] - [ 0.0015954000000000, 0.0076692700000000, -0.0001046100000000 ] - [ 0.0002055800000000, -0.0022583300000000, -0.0005864900000000 ] - [ 0.0182839300000000, 0.0106799700000000, 0.0126014600000000 ] - [ -0.0011422300000000, 0.0024296200000000, -0.0013363000000000 ] - [ -0.0002473000000000, 0.0013988500000000, 0.0001589600000000 ] - [ -0.0002828700000000, 0.0048052800000000, -0.0005966500000000 ] - [ -0.0006878100000000, -0.0079433800000000, 0.0010864900000000 ] - [ -0.0009198500000000, 0.0000804200000000, -0.0000728900000000 ] - [ 0.0029098000000000, -0.0002995800000000, -0.0000768900000000 ] - [ -0.0024469000000000, 0.0278742900000000, 0.0162241300000000 ] - [ 0.0018384900000000, -0.0201752400000000, -0.0201143100000000 ] - [ 0.0017696400000000, -0.0032934600000000, 0.0007739700000000 ]- atom: 69 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000794000000000, -0.0162797400000000, -0.0057925000000000 ] - [ -0.0029047200000000, 0.0000282900000000, -0.0011352100000000 ] - [ 0.0007240600000000, 0.0008516400000000, 0.0001632800000000 ] - [ -0.0008240300000000, 0.0027951900000000, -0.0005292900000000 ] - [ 0.0001363700000000, 0.0013591000000000, 0.0000458800000000 ] - [ 0.0006139000000000, 0.0051556500000000, -0.0007915600000000 ] - [ 0.0018115500000000, 0.0029757800000000, 0.0041473000000000 ] - [ -0.0000126700000000, 0.0009663100000000, -0.0002798000000000 ] - [ -0.0006691300000000, 0.0022800700000000, 0.0001416300000000 ] - [ 0.0028461600000000, 0.0083708900000000, -0.0003856800000000 ] - [ 0.0009143600000000, 0.0005169700000000, -0.0013950600000000 ] - [ -0.0003752600000000, 0.0001067300000000, 0.0004007600000000 ] - [ 0.0011105800000000, -0.0184438000000000, -0.0020589100000000 ] - [ -0.0034673900000000, -0.0018680900000000, 0.0021804400000000 ] - [ 0.0007587400000000, 0.0011633700000000, 0.0003141700000000 ] - [ -0.0001870600000000, 0.0040819200000000, -0.0010392600000000 ] - [ 0.0003876400000000, 0.0015830900000000, -0.0002947600000000 ] - [ 0.0008904100000000, 0.0051341800000000, 0.0009517500000000 ] - [ 0.0002719700000000, -0.0049171300000000, -0.0013329000000000 ] - [ 0.0035656800000000, -0.0080598300000000, 0.0003512200000000 ] - [ 0.0048378700000000, 0.0071153200000000, 0.0029933000000000 ] - [ 0.0026775100000000, 0.0017653400000000, -0.0011369400000000 ] - [ 0.0013493500000000, 0.0015811600000000, 0.0001793900000000 ] - [ 0.0087024600000000, -0.0223853400000000, 0.0002125300000000 ] - [ -0.0008165200000000, 0.0024912400000000, -0.0020943300000000 ] - [ -0.0002192000000000, 0.0016149200000000, 0.0019513900000000 ] - [ -0.0001407300000000, 0.0053971500000000, -0.0005242200000000 ] - [ -0.0014255500000000, 0.0045145200000000, 0.0002437800000000 ] - [ 0.0002945300000000, -0.0003642000000000, -0.0000617600000000 ] - [ 0.0003584200000000, -0.0027806800000000, 0.0008688200000000 ] - [ -0.0001407400000000, 0.0003531100000000, 0.0001466400000000 ] - [ -0.0058916100000000, 0.0077480200000000, -0.0000031000000000 ] - [ -0.0023470200000000, -0.0071906400000000, -0.0022187900000000 ] - [ 0.0000783100000000, -0.0009379600000000, -0.0001217800000000 ] - [ -0.0000877100000000, -0.0290203300000000, 0.0119688900000000 ] - [ 0.0016579700000000, -0.0030693300000000, -0.0009569500000000 ] - [ 0.0003778100000000, -0.0006448100000000, -0.0001500400000000 ] - [ -0.0006974300000000, 0.0015321300000000, 0.0088968600000000 ] - [ -0.0045728800000000, -0.0390312400000000, -0.0157269500000000 ] - [ 0.0024511800000000, -0.0022906500000000, 0.0008945600000000 ] - [ 0.0013079200000000, -0.0014890200000000, 0.0001617700000000 ] - [ 0.0003616900000000, 0.0030062000000000, -0.0074805500000000 ] - [ 0.0000822800000000, 0.0006738700000000, -0.0000631400000000 ] - [ -0.0037429200000000, 0.0044189400000000, -0.0007437500000000 ] - [ -0.0003295900000000, -0.0043116400000000, -0.0018299800000000 ] - [ 0.0001721300000000, -0.0009876100000000, 0.0007765300000000 ] - [ -0.0096284300000000, -0.0180452600000000, 0.0033213700000000 ] - [ -0.0007509900000000, -0.0011048600000000, 0.0001554700000000 ] - [ -0.0004877300000000, 0.0017355000000000, -0.0000715600000000 ] - [ -0.0001503500000000, 0.0013171200000000, 0.0002844800000000 ] - [ 0.0019660200000000, -0.0008794000000000, -0.0005707500000000 ] - [ 0.0041724200000000, -0.0016752600000000, 0.0017904800000000 ] - [ -0.0002041100000000, -0.0005334000000000, -0.0001802300000000 ] - [ -0.0011294400000000, 0.0010210100000000, -0.0003954400000000 ] - [ -0.0010713500000000, -0.0004370300000000, 0.0001640000000000 ] - [ 0.0000117100000000, -0.0003739800000000, -0.0002259600000000 ] - [ 0.0002009400000000, -0.0043807300000000, -0.0015290600000000 ] - [ -0.0024715500000000, -0.0034531100000000, 0.0009899700000000 ] - [ -0.0013402200000000, 0.0013795200000000, 0.0005488000000000 ] - [ 0.0000069000000000, 0.0006962000000000, -0.0002408500000000 ] - [ -0.0177220200000000, -0.0047772000000000, 0.0107153200000000 ] - [ -0.0006855400000000, -0.0014861400000000, -0.0006140100000000 ] - [ -0.0002768600000000, -0.0012900800000000, 0.0004730100000000 ] - [ 0.0012726600000000, -0.0056863500000000, -0.0011627400000000 ] - [ 0.0173602700000000, -0.0044124400000000, -0.0135774200000000 ] - [ 0.0169078300000000, -0.0075642200000000, 0.0130123500000000 ] - [ -0.0009388800000000, -0.0041012800000000, -0.0010001600000000 ] - [ -0.0005791700000000, -0.0058678600000000, 0.0000820300000000 ] - [ -0.0022595000000000, 0.1553077600000000, 0.0086622200000000 ] - [ 0.0049107800000000, 0.0067222500000000, -0.0004244100000000 ] - [ -0.0007441200000000, -0.0000918600000000, -0.0004894000000000 ] - [ 0.0002244300000000, -0.0051334000000000, 0.0001390700000000 ] - [ -0.0045836000000000, -0.0010320500000000, -0.0005872800000000 ] - [ -0.0013572900000000, -0.0198964500000000, 0.0071554100000000 ] - [ 0.0007979400000000, 0.0280355300000000, -0.0094754800000000 ] - [ -0.0018531200000000, 0.0031190300000000, -0.0009829300000000 ] - [ 0.0026072500000000, -0.0009039400000000, 0.0008927500000000 ] - [ 0.0047680300000000, -0.0000782600000000, -0.0009113000000000 ] - [ 0.0020175800000000, 0.0042085800000000, -0.0004131300000000 ] - [ 0.0002884000000000, 0.0026722000000000, 0.0004263300000000 ] - [ -0.0000548300000000, -0.0022623600000000, 0.0002021000000000 ] - [ 0.0016325200000000, -0.0094431900000000, 0.0022690500000000 ] - [ 0.0002730900000000, 0.0034755500000000, -0.0002760000000000 ] - [ -0.0003118500000000, 0.0006970300000000, -0.0001153000000000 ] - [ -0.0015666900000000, -0.0076204500000000, 0.0001057600000000 ] - [ -0.0002078300000000, 0.0022239800000000, 0.0005812600000000 ] - [ -0.0173763900000000, -0.0098278200000000, -0.0121678300000000 ] - [ 0.0001963300000000, -0.0015416800000000, 0.0008247900000000 ] - [ -0.0007079200000000, -0.0022499700000000, -0.0006648500000000 ] - [ 0.0012314000000000, -0.0056406800000000, 0.0011213100000000 ] - [ 0.0007694200000000, 0.0078473200000000, -0.0010541300000000 ] - [ 0.0009148900000000, -0.0001217700000000, 0.0000665800000000 ] - [ -0.0019413500000000, 0.0011520300000000, 0.0005831500000000 ] - [ 0.0014922700000000, -0.0268604500000000, -0.0165285100000000 ] - [ -0.0027773800000000, 0.0192417200000000, 0.0195189000000000 ] - [ -0.0008126700000000, 0.0024115500000000, -0.0002709100000000 ]- atom: 69 displacement: [ -0.0005876189178017, 0.0000000000000000, 0.0099827202709202 ] forces: - [ -0.0003504700000000, 0.0061675600000000, 0.0163013600000000 ] - [ -0.0018033800000000, -0.0008995500000000, 0.0024814800000000 ] - [ 0.0005951900000000, -0.0003212300000000, -0.0011078000000000 ] - [ -0.0000900800000000, 0.0001734100000000, -0.0022796600000000 ] - [ -0.0000856700000000, -0.0008743300000000, 0.0010352200000000 ] - [ 0.0007694700000000, 0.0039059700000000, 0.0019220300000000 ] - [ -0.0022598100000000, -0.0018009600000000, -0.0063082400000000 ] - [ 0.0002204600000000, 0.0000890000000000, -0.0009488600000000 ] - [ -0.0003715900000000, 0.0015577700000000, 0.0007914800000000 ] - [ -0.0027248400000000, -0.0066575900000000, 0.0023977800000000 ] - [ 0.0016125300000000, 0.0002480600000000, -0.0040659400000000 ] - [ -0.0009612100000000, -0.0004693400000000, -0.0010085200000000 ] - [ -0.0020937100000000, -0.0040513600000000, 0.0179534500000000 ] - [ 0.0037379800000000, 0.0009301600000000, 0.0017327600000000 ] - [ -0.0012114000000000, 0.0001237100000000, -0.0013198900000000 ] - [ 0.0004900900000000, 0.0019054700000000, -0.0040693400000000 ] - [ -0.0002773000000000, -0.0008603500000000, 0.0025599700000000 ] - [ 0.0001914600000000, 0.0010181500000000, 0.0045601600000000 ] - [ -0.0075327000000000, 0.0002966700000000, -0.0033418400000000 ] - [ 0.0083210600000000, -0.0016744800000000, -0.0066077500000000 ] - [ -0.0045406300000000, -0.0071160600000000, -0.0014089800000000 ] - [ 0.0027925500000000, 0.0012220100000000, -0.0005748900000000 ] - [ 0.0003847900000000, 0.0000958400000000, -0.0030763800000000 ] - [ 0.0001678800000000, -0.0012664300000000, 0.0215905600000000 ] - [ -0.0016388600000000, 0.0014384200000000, -0.0031510600000000 ] - [ 0.0014124600000000, -0.0002028300000000, -0.0041088400000000 ] - [ -0.0004294700000000, 0.0028400800000000, 0.0031575600000000 ] - [ 0.0010916000000000, -0.0039569400000000, 0.0021093300000000 ] - [ 0.0002609300000000, -0.0004837800000000, -0.0035343300000000 ] - [ -0.0002242900000000, 0.0032963500000000, -0.0084711300000000 ] - [ 0.0002533200000000, 0.0008239500000000, 0.0009902700000000 ] - [ 0.0061543800000000, -0.0072825500000000, 0.0021134200000000 ] - [ -0.0048538100000000, -0.0022397900000000, -0.0096747600000000 ] - [ -0.0008569300000000, 0.0006202900000000, -0.0015433500000000 ] - [ 0.0005994400000000, -0.0093730400000000, 0.0182508800000000 ] - [ -0.0017815800000000, 0.0001938500000000, 0.0019574900000000 ] - [ 0.0006663200000000, 0.0012703800000000, -0.0018598300000000 ] - [ 0.0014101300000000, -0.0072360900000000, -0.0105368300000000 ] - [ 0.0023080900000000, 0.0233091200000000, 0.0266829000000000 ] - [ 0.0026924300000000, 0.0008205400000000, 0.0010040100000000 ] - [ -0.0005654500000000, -0.0023890500000000, -0.0015743200000000 ] - [ 0.0002126300000000, 0.0061435000000000, -0.0108487600000000 ] - [ 0.0000864600000000, -0.0010173400000000, 0.0008198100000000 ] - [ -0.0038331600000000, 0.0022401400000000, 0.0014811700000000 ] - [ 0.0073872200000000, 0.0010964700000000, -0.0068173800000000 ] - [ -0.0000100000000000, -0.0005594000000000, -0.0016060500000000 ] - [ -0.0038386100000000, -0.0039646300000000, 0.0141272500000000 ] - [ 0.0021593800000000, 0.0000295500000000, 0.0025873500000000 ] - [ 0.0009746000000000, 0.0002664400000000, -0.0012919600000000 ] - [ -0.0010193100000000, 0.0000199000000000, -0.0001472000000000 ] - [ 0.0043131200000000, -0.0004088900000000, 0.0001697800000000 ] - [ -0.0063308900000000, 0.0004561900000000, 0.0003889200000000 ] - [ -0.0002336200000000, -0.0000085700000000, -0.0042711200000000 ] - [ 0.0000334200000000, -0.0004292600000000, 0.0029143600000000 ] - [ 0.0000734100000000, -0.0008044200000000, -0.0018401400000000 ] - [ -0.0002411300000000, 0.0015406600000000, -0.0015637500000000 ] - [ 0.0021793000000000, -0.0010174600000000, 0.0009788900000000 ] - [ -0.0022934800000000, -0.0012967500000000, 0.0034495100000000 ] - [ -0.0004053000000000, -0.0003447400000000, -0.0022413100000000 ] - [ -0.0001515900000000, 0.0005211900000000, -0.0015725900000000 ] - [ -0.0234318400000000, -0.0126090400000000, 0.0048665200000000 ] - [ 0.0010520600000000, 0.0000875000000000, -0.0012751900000000 ] - [ -0.0001993400000000, 0.0004006000000000, 0.0011779000000000 ] - [ 0.0013531100000000, 0.0027026600000000, 0.0025565700000000 ] - [ -0.0221989700000000, 0.0114656600000000, 0.0033894900000000 ] - [ 0.0242375300000000, -0.0117185200000000, -0.0037833600000000 ] - [ -0.0018224300000000, 0.0003466200000000, 0.0025619800000000 ] - [ 0.0009217300000000, 0.0008746100000000, 0.0031010300000000 ] - [ 0.0131991800000000, -0.0095498000000000, -0.1756006300000000 ] - [ -0.0031382300000000, -0.0008831700000000, -0.0063671000000000 ] - [ 0.0002160600000000, 0.0005893900000000, 0.0040100000000000 ] - [ -0.0005118700000000, 0.0002784500000000, 0.0116937600000000 ] - [ 0.0039612000000000, 0.0008259400000000, -0.0015775600000000 ] - [ -0.0013571800000000, -0.0205698900000000, 0.0025387000000000 ] - [ -0.0007163300000000, 0.0024141300000000, 0.0377556700000000 ] - [ -0.0056388300000000, 0.0000760700000000, 0.0025829600000000 ] - [ 0.0025711000000000, -0.0006704600000000, -0.0012109000000000 ] - [ -0.0036741000000000, 0.0009126200000000, -0.0006517000000000 ] - [ 0.0059237900000000, -0.0014533000000000, 0.0028677100000000 ] - [ -0.0040225900000000, 0.0014878400000000, 0.0029581900000000 ] - [ -0.0001353500000000, -0.0003490600000000, -0.0029881900000000 ] - [ 0.0007706800000000, 0.0020233300000000, -0.0105726800000000 ] - [ -0.0012679900000000, 0.0004130100000000, 0.0128382300000000 ] - [ -0.0000536500000000, 0.0000451300000000, 0.0040253300000000 ] - [ -0.0007630300000000, 0.0004864700000000, -0.0077775000000000 ] - [ 0.0016323400000000, -0.0004297800000000, 0.0091776100000000 ] - [ 0.0220373400000000, 0.0140860600000000, 0.0094237900000000 ] - [ -0.0015896300000000, -0.0017622500000000, 0.0000972800000000 ] - [ 0.0001723900000000, -0.0006120800000000, 0.0000549600000000 ] - [ -0.0005360100000000, -0.0012529600000000, 0.0024421400000000 ] - [ -0.0041742200000000, 0.0028584200000000, -0.0078263300000000 ] - [ 0.0005373700000000, 0.0001971000000000, 0.0041476900000000 ] - [ -0.0023648700000000, -0.0004312200000000, 0.0004902800000000 ] - [ -0.0032157400000000, 0.0253795100000000, 0.0111422200000000 ] - [ -0.0045186100000000, -0.0033085800000000, 0.0390187000000000 ] - [ 0.0062031100000000, 0.0019953600000000, 0.0009760800000000 ]- atom: 69 displacement: [ 0.0005876189178017, 0.0000000000000000, -0.0099827202709202 ] forces: - [ -0.0000850800000000, -0.0071217500000000, -0.0172654200000000 ] - [ 0.0021212500000000, 0.0009118600000000, -0.0025136400000000 ] - [ -0.0002691100000000, 0.0003018200000000, 0.0010508200000000 ] - [ -0.0002376900000000, -0.0001943300000000, 0.0023356800000000 ] - [ 0.0001971800000000, 0.0006591200000000, -0.0006929400000000 ] - [ -0.0008730400000000, -0.0041086700000000, -0.0022679800000000 ] - [ 0.0021496800000000, 0.0020190000000000, 0.0059350200000000 ] - [ -0.0001109800000000, 0.0001170400000000, 0.0013143500000000 ] - [ -0.0008272100000000, -0.0003019400000000, -0.0007748300000000 ] - [ 0.0039322700000000, 0.0079386400000000, -0.0024132400000000 ] - [ -0.0004089600000000, -0.0015054700000000, 0.0040646500000000 ] - [ -0.0002384200000000, -0.0007953200000000, 0.0010179400000000 ] - [ 0.0021923100000000, 0.0027491500000000, -0.0164277000000000 ] - [ -0.0038539200000000, -0.0013014900000000, -0.0017662900000000 ] - [ 0.0010921900000000, 0.0002413400000000, 0.0013305900000000 ] - [ -0.0003759200000000, -0.0015426500000000, 0.0040554200000000 ] - [ 0.0002602500000000, 0.0001871500000000, -0.0022745100000000 ] - [ -0.0001793300000000, -0.0016920400000000, -0.0048441700000000 ] - [ 0.0070725900000000, 0.0000810300000000, 0.0027188300000000 ] - [ -0.0079561700000000, 0.0020592300000000, 0.0072540600000000 ] - [ 0.0049578700000000, 0.0067491900000000, 0.0020305100000000 ] - [ -0.0032101000000000, -0.0015984600000000, -0.0000460000000000 ] - [ -0.0003879900000000, 0.0001057000000000, 0.0030770200000000 ] - [ -0.0001932400000000, 0.0011077700000000, -0.0215957400000000 ] - [ 0.0007623600000000, -0.0006056400000000, 0.0033770600000000 ] - [ -0.0005463900000000, 0.0010385800000000, 0.0038849900000000 ] - [ 0.0012951500000000, -0.0036703000000000, -0.0033619300000000 ] - [ -0.0019695300000000, 0.0031226400000000, -0.0019036300000000 ] - [ -0.0002840500000000, 0.0011648700000000, 0.0038192600000000 ] - [ 0.0002325600000000, -0.0026045300000000, 0.0081738700000000 ] - [ -0.0005722200000000, -0.0007974000000000, -0.0009350100000000 ] - [ -0.0058292800000000, 0.0073048400000000, -0.0021714100000000 ] - [ 0.0051958000000000, 0.0022163700000000, 0.0096434100000000 ] - [ 0.0005297600000000, -0.0006406700000000, 0.0016065800000000 ] - [ -0.0004160500000000, 0.0105379100000000, -0.0191346300000000 ] - [ 0.0016701500000000, -0.0003917500000000, -0.0022727100000000 ] - [ -0.0007781100000000, -0.0010628500000000, 0.0014988300000000 ] - [ -0.0013039400000000, 0.0074173700000000, 0.0109086000000000 ] - [ -0.0033546500000000, -0.0205725900000000, -0.0254741400000000 ] - [ -0.0014960900000000, 0.0004642400000000, -0.0010516800000000 ] - [ 0.0017617700000000, 0.0011152000000000, 0.0015621500000000 ] - [ -0.0014105300000000, -0.0074343500000000, 0.0108522600000000 ] - [ 0.0000299800000000, 0.0006562300000000, -0.0008263700000000 ] - [ 0.0037170500000000, -0.0026024500000000, -0.0014748200000000 ] - [ -0.0074545400000000, -0.0007281800000000, 0.0068128600000000 ] - [ 0.0001309000000000, 0.0009279300000000, 0.0015902100000000 ] - [ 0.0038629000000000, 0.0033260500000000, -0.0138538100000000 ] - [ -0.0021582600000000, -0.0007124100000000, -0.0028910600000000 ] - [ -0.0013807000000000, 0.0001172400000000, 0.0006769500000000 ] - [ 0.0014324400000000, 0.0003636500000000, 0.0007618100000000 ] - [ -0.0038819300000000, 0.0000262700000000, 0.0004662300000000 ] - [ 0.0059466000000000, -0.0008336200000000, -0.0010281100000000 ] - [ 0.0002493200000000, 0.0002124100000000, 0.0042735500000000 ] - [ -0.0000299300000000, 0.0002291300000000, -0.0029156900000000 ] - [ -0.0009423800000000, 0.0016321500000000, 0.0020575300000000 ] - [ 0.0011175300000000, -0.0007143000000000, 0.0013469800000000 ] - [ -0.0013224300000000, 0.0002226900000000, -0.0011562200000000 ] - [ 0.0014221400000000, 0.0004880100000000, -0.0032776000000000 ] - [ 0.0003946700000000, 0.0010196000000000, 0.0025288600000000 ] - [ 0.0001672300000000, 0.0001516200000000, 0.0012876200000000 ] - [ 0.0233148000000000, 0.0116460200000000, -0.0055002900000000 ] - [ -0.0011463800000000, -0.0009542300000000, 0.0018870100000000 ] - [ 0.0001209900000000, 0.0004805000000000, -0.0005979900000000 ] - [ -0.0012769700000000, -0.0018339700000000, -0.0031454900000000 ] - [ 0.0223443700000000, -0.0121069800000000, -0.0032185300000000 ] - [ -0.0240426500000000, 0.0111117900000000, 0.0035847800000000 ] - [ 0.0018518600000000, 0.0001966800000000, -0.0026452000000000 ] - [ -0.0009438300000000, -0.0003295400000000, -0.0030164800000000 ] - [ -0.0137600100000000, 0.0079866100000000, 0.1753564700000000 ] - [ 0.0034205200000000, 0.0002493300000000, 0.0061013700000000 ] - [ 0.0001744100000000, 0.0000020600000000, -0.0042897600000000 ] - [ 0.0001233600000000, 0.0003255300000000, -0.0114133600000000 ] - [ -0.0038790900000000, -0.0017115700000000, 0.0009810600000000 ] - [ 0.0012857000000000, 0.0197265800000000, -0.0019533100000000 ] - [ 0.0006518800000000, -0.0014197300000000, -0.0366915000000000 ] - [ 0.0057562000000000, 0.0008068900000000, -0.0031489600000000 ] - [ -0.0026030500000000, 0.0001119600000000, 0.0013095000000000 ] - [ 0.0036899100000000, -0.0014757000000000, 0.0005525800000000 ] - [ -0.0059372900000000, 0.0020132300000000, -0.0029428700000000 ] - [ 0.0039691900000000, -0.0009313300000000, -0.0028962900000000 ] - [ -0.0002547600000000, -0.0002415700000000, 0.0032694500000000 ] - [ -0.0003838000000000, -0.0026219300000000, 0.0102984500000000 ] - [ 0.0016405200000000, 0.0001504200000000, -0.0131293400000000 ] - [ -0.0003358600000000, 0.0005381600000000, -0.0037475500000000 ] - [ 0.0007680300000000, -0.0004464100000000, 0.0077763600000000 ] - [ -0.0016106500000000, 0.0003623400000000, -0.0091814200000000 ] - [ -0.0211885200000000, -0.0133434700000000, -0.0089568500000000 ] - [ 0.0006271200000000, 0.0026240700000000, -0.0006167300000000 ] - [ -0.0011335000000000, -0.0002417000000000, -0.0005574400000000 ] - [ 0.0014909400000000, 0.0003884900000000, -0.0019366500000000 ] - [ 0.0042797300000000, -0.0028885300000000, 0.0078574300000000 ] - [ -0.0005427000000000, -0.0002308700000000, -0.0041510500000000 ] - [ 0.0033256400000000, 0.0012756300000000, 0.0000278700000000 ] - [ 0.0022686700000000, -0.0244255900000000, -0.0115980500000000 ] - [ 0.0035962200000000, 0.0025928900000000, -0.0398736000000000 ] - [ -0.0052167500000000, -0.0028360000000000, -0.0004968100000000 ]- atom: 85 displacement: [ 0.0099999882271062, 0.0000000000000000, 0.0000153446321733 ] forces: - [ 0.0013025400000000, 0.0009325900000000, -0.0007415400000000 ] - [ 0.0016478000000000, -0.0009224200000000, -0.0007986400000000 ] - [ 0.0007595600000000, 0.0000485200000000, 0.0011487600000000 ] - [ 0.0004176500000000, -0.0000636400000000, 0.0011938200000000 ] - [ -0.0037558100000000, -0.0032351200000000, 0.0051015400000000 ] - [ -0.0038314900000000, 0.0030124600000000, 0.0047235700000000 ] - [ -0.0001472400000000, 0.0015214700000000, -0.0016415600000000 ] - [ -0.0000330000000000, -0.0013140100000000, -0.0013003600000000 ] - [ -0.0044296500000000, -0.0036412500000000, -0.0045729100000000 ] - [ -0.0031987900000000, 0.0048995100000000, -0.0045637300000000 ] - [ -0.0000258200000000, 0.0000901800000000, 0.0011382700000000 ] - [ -0.0012235200000000, -0.0013649200000000, 0.0011653200000000 ] - [ 0.0003671300000000, 0.0002481200000000, 0.0007904700000000 ] - [ 0.0002714100000000, -0.0006109700000000, 0.0007988500000000 ] - [ 0.0025417300000000, -0.0019130900000000, -0.0049559700000000 ] - [ 0.0026448900000000, 0.0022801100000000, -0.0049499100000000 ] - [ 0.1263309000000000, -0.0630181600000000, 0.0168634300000000 ] - [ 0.1200262700000000, 0.0577306400000000, 0.0149418100000000 ] - [ 0.0021653800000000, 0.0016905200000000, 0.0000654500000000 ] - [ 0.0025689400000000, -0.0012965600000000, 0.0006734800000000 ] - [ 0.0123634800000000, -0.0028096600000000, 0.0041425100000000 ] - [ 0.0119991100000000, 0.0024171200000000, 0.0035436800000000 ] - [ 0.0031019500000000, 0.0000955200000000, 0.0008815500000000 ] - [ 0.0028430500000000, -0.0000898200000000, -0.0009270800000000 ] - [ -0.0001600600000000, 0.0012501700000000, 0.0018175000000000 ] - [ 0.0007109600000000, -0.0004170200000000, 0.0015943900000000 ] - [ 0.0255371800000000, -0.0094389100000000, -0.0133550000000000 ] - [ 0.0243818300000000, 0.0081521800000000, -0.0125412800000000 ] - [ 0.0007151000000000, 0.0006201100000000, 0.0005253400000000 ] - [ 0.0007200400000000, 0.0000545000000000, 0.0002374900000000 ] - [ -0.0059867100000000, 0.0032342000000000, 0.0052169300000000 ] - [ -0.0056547400000000, -0.0031965800000000, 0.0051596600000000 ] - [ -0.0007514100000000, -0.0004290700000000, -0.0005641500000000 ] - [ -0.0010777100000000, 0.0004082500000000, -0.0005103700000000 ] - [ 0.0002274200000000, -0.0045764000000000, -0.0000028900000000 ] - [ 0.0001200800000000, 0.0043601100000000, -0.0003512400000000 ] - [ 0.0004815900000000, 0.0005714400000000, 0.0000653000000000 ] - [ 0.0005841800000000, -0.0003574100000000, 0.0004132700000000 ] - [ -0.0001322200000000, -0.0011570100000000, 0.0011478200000000 ] - [ 0.0010733000000000, 0.0024250400000000, 0.0011311200000000 ] - [ 0.0018850700000000, 0.0018167200000000, -0.0039882400000000 ] - [ 0.0006804100000000, -0.0030825500000000, -0.0039781700000000 ] - [ -0.0087553600000000, 0.0018261800000000, -0.0046609700000000 ] - [ -0.0089092700000000, -0.0021723500000000, -0.0046770000000000 ] - [ -0.0010936300000000, 0.0006694700000000, 0.0002239000000000 ] - [ -0.0009694100000000, -0.0003133200000000, 0.0002176500000000 ] - [ -0.0013474600000000, 0.0001410800000000, 0.0000856000000000 ] - [ -0.0013277000000000, -0.0008178400000000, -0.0002018200000000 ] - [ -0.0041382300000000, -0.0002547100000000, -0.0000712600000000 ] - [ -0.0037346800000000, 0.0006434800000000, 0.0005514400000000 ] - [ -0.0021256200000000, -0.0012313300000000, 0.0000610900000000 ] - [ -0.0025280300000000, 0.0008392200000000, -0.0005532800000000 ] - [ -0.0014633500000000, 0.0001010400000000, -0.0003096800000000 ] - [ -0.0123424700000000, -0.0000930800000000, 0.0009177900000000 ] - [ -0.0014751300000000, 0.0003959100000000, -0.0002526100000000 ] - [ -0.0006040100000000, 0.0004301000000000, -0.0004587800000000 ] - [ -0.0007130500000000, -0.0002374800000000, 0.0000729700000000 ] - [ -0.0015863200000000, -0.0005924100000000, 0.0002846300000000 ] - [ -0.0016558600000000, -0.0003782100000000, -0.0009069400000000 ] - [ -0.0016371000000000, 0.0010530800000000, -0.0011939900000000 ] - [ 0.0025220700000000, -0.0036590700000000, -0.0015086700000000 ] - [ 0.0024450600000000, 0.0028180000000000, -0.0009351300000000 ] - [ 0.0036591800000000, 0.0009190400000000, 0.0050803600000000 ] - [ 0.0037274400000000, -0.0000676300000000, 0.0044803000000000 ] - [ -0.0042317500000000, 0.0037108000000000, -0.0003452800000000 ] - [ -0.0041970800000000, -0.0043032400000000, -0.0004554300000000 ] - [ -0.0067177900000000, -0.0010773900000000, -0.0045990800000000 ] - [ -0.0067388200000000, 0.0016395000000000, -0.0045658200000000 ] - [ -0.0010790400000000, 0.0012825800000000, -0.0006899800000000 ] - [ -0.0006879600000000, -0.0018784300000000, -0.0009726800000000 ] - [ -0.0009078300000000, 0.0005001000000000, 0.0014304900000000 ] - [ -0.0013049200000000, 0.0000886100000000, 0.0017153200000000 ] - [ -0.0043686300000000, -0.0178571400000000, 0.0253621600000000 ] - [ -0.0044374700000000, 0.0169386700000000, 0.0259290600000000 ] - [ -0.0009616900000000, 0.0013936500000000, -0.0007871700000000 ] - [ -0.0009039100000000, -0.0005265500000000, -0.0013691600000000 ] - [ 0.0083513400000000, 0.0002778000000000, -0.0003085500000000 ] - [ 0.0083716400000000, -0.0008321300000000, -0.0003777600000000 ] - [ 0.0020009200000000, 0.0001972400000000, 0.0003347000000000 ] - [ 0.0019669500000000, 0.0003559200000000, 0.0004123100000000 ] - [ 0.0358645700000000, -0.0010963000000000, -0.0019669300000000 ] - [ 0.0360859500000000, 0.0003582300000000, -0.0022919600000000 ] - [ 0.0007746200000000, -0.0006160900000000, 0.0004389900000000 ] - [ 0.0003546600000000, 0.0012200900000000, 0.0007217400000000 ] - [ -0.3388585000000000, 0.0053069300000000, -0.0290182400000000 ] - [ -0.0016047500000000, -0.0000195400000000, -0.0011231500000000 ] - [ 0.0017893900000000, -0.0044612600000000, 0.0025572600000000 ] - [ 0.0008237700000000, 0.0053560700000000, 0.0020705700000000 ] - [ 0.0026875800000000, -0.0012413000000000, -0.0046335500000000 ] - [ 0.0036452800000000, 0.0003727000000000, -0.0040901100000000 ] - [ 0.0026682700000000, 0.0000150900000000, -0.0003927200000000 ] - [ 0.0029020800000000, -0.0000159500000000, 0.0008901800000000 ] - [ -0.0006764700000000, -0.0050418600000000, -0.0088757400000000 ] - [ -0.0016084500000000, 0.0058692200000000, -0.0093564200000000 ] - [ -0.0019763400000000, 0.0025489400000000, 0.0014370300000000 ] - [ -0.0010334800000000, -0.0034090300000000, 0.0019359600000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0048250000000000, -0.0026391100000000, 0.0010118000000000 ] - [ -0.0048250000000000, -0.0026391100000000, -0.0010118000000000 ] - [ -0.0015127900000000, 0.0025589800000000, -0.0001573100000000 ] - [ 0.0015127900000000, 0.0025589800000000, 0.0001573100000000 ] - [ -0.0017236100000000, 0.0035430500000000, -0.0017725200000000 ] - [ 0.0017236100000000, 0.0035430500000000, 0.0017725200000000 ] - [ 0.0008710000000000, 0.0015003000000000, -0.0003225100000000 ] - [ -0.0008710000000000, 0.0015003000000000, 0.0003225100000000 ] - [ -0.0013485700000000, 0.0055803900000000, 0.0021122900000000 ] - [ 0.0013485700000000, 0.0055803900000000, -0.0021122900000000 ] - [ 0.0010771700000000, 0.0002967300000000, 0.0001859100000000 ] - [ -0.0010771700000000, 0.0002967300000000, -0.0001859100000000 ] - [ 0.0051674800000000, -0.0045242000000000, -0.0010380200000000 ] - [ -0.0051674800000000, -0.0045242000000000, 0.0010380200000000 ] - [ -0.0030692000000000, 0.0050255000000000, 0.0023571200000000 ] - [ 0.0030692000000000, 0.0050255000000000, -0.0023571200000000 ] - [ -0.0613167000000000, 0.0611055400000000, -0.0129280900000000 ] - [ 0.0613167000000000, 0.0611055400000000, 0.0129280900000000 ] - [ -0.0011868700000000, -0.0044810100000000, -0.0021181700000000 ] - [ 0.0011868700000000, -0.0044810100000000, 0.0021181700000000 ] - [ -0.0037976700000000, 0.0009455200000000, 0.0134448400000000 ] - [ 0.0037976700000000, 0.0009455200000000, -0.0134448400000000 ] - [ 0.0000000000000000, 0.0049110300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0086398500000000, 0.0000000000000000 ] - [ -0.0004719500000000, -0.0006808000000000, -0.0047181000000000 ] - [ 0.0004719500000000, -0.0006808000000000, 0.0047181000000000 ] - [ -0.0106753600000000, 0.0671411800000000, 0.0596635600000000 ] - [ 0.0106753600000000, 0.0671411800000000, -0.0596635600000000 ] - [ -0.0018446300000000, -0.0015389400000000, -0.0004375600000000 ] - [ 0.0018446300000000, -0.0015389400000000, 0.0004375600000000 ] - [ 0.0024051500000000, -0.0012904700000000, -0.0028489400000000 ] - [ -0.0024051500000000, -0.0012904700000000, 0.0028489400000000 ] - [ 0.0005650500000000, -0.0013360700000000, -0.0000308000000000 ] - [ -0.0005650500000000, -0.0013360700000000, 0.0000308000000000 ] - [ -0.0002784500000000, -0.0055992700000000, 0.0005397700000000 ] - [ 0.0002784500000000, -0.0055992700000000, -0.0005397700000000 ] - [ 0.0008936500000000, -0.0024310700000000, -0.0022057700000000 ] - [ -0.0008936500000000, -0.0024310700000000, 0.0022057700000000 ] - [ -0.0012462800000000, -0.0047677200000000, -0.0002944200000000 ] - [ 0.0012462800000000, -0.0047677200000000, 0.0002944200000000 ] - [ 0.0006535300000000, -0.0029393400000000, 0.0025624500000000 ] - [ -0.0006535300000000, -0.0029393400000000, -0.0025624500000000 ] - [ 0.0047413900000000, -0.0001945100000000, 0.0038101600000000 ] - [ -0.0047413900000000, -0.0001945100000000, -0.0038101600000000 ] - [ 0.0009318400000000, -0.0006235200000000, -0.0002301100000000 ] - [ -0.0009318400000000, -0.0006235200000000, 0.0002301100000000 ] - [ 0.0014741500000000, -0.0013557800000000, 0.0002342800000000 ] - [ -0.0014741500000000, -0.0013557800000000, -0.0002342800000000 ] - [ 0.0004591500000000, 0.0016009600000000, 0.0004780700000000 ] - [ -0.0004591500000000, 0.0016009600000000, -0.0004780700000000 ] - [ 0.0000402000000000, -0.0002816700000000, 0.0001194300000000 ] - [ -0.0000402000000000, -0.0002816700000000, -0.0001194300000000 ] - [ 0.0000000000000000, -0.0004444700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0026884400000000, 0.0000000000000000 ] - [ -0.0004987400000000, -0.0006097000000000, 0.0007305500000000 ] - [ 0.0004987400000000, -0.0006097000000000, -0.0007305500000000 ] - [ 0.0004233100000000, -0.0026191100000000, -0.0003072300000000 ] - [ -0.0004233100000000, -0.0026191100000000, 0.0003072300000000 ] - [ 0.0003491500000000, 0.0005536500000000, -0.0001102500000000 ] - [ -0.0003491500000000, 0.0005536500000000, 0.0001102500000000 ] - [ -0.0032641700000000, -0.0011299100000000, 0.0001520700000000 ] - [ 0.0032641700000000, -0.0011299100000000, -0.0001520700000000 ] - [ 0.0006330000000000, -0.0028683900000000, -0.0018250100000000 ] - [ -0.0006330000000000, -0.0028683900000000, 0.0018250100000000 ] - [ -0.0008016600000000, 0.0276556100000000, -0.0128879700000000 ] - [ 0.0008016600000000, 0.0276556100000000, 0.0128879700000000 ] - [ -0.0002262200000000, -0.0208738800000000, -0.0102721800000000 ] - [ 0.0002262200000000, -0.0208738800000000, 0.0102721800000000 ] - [ -0.0037703900000000, 0.0073451700000000, 0.0003982900000000 ] - [ 0.0037703900000000, 0.0073451700000000, -0.0003982900000000 ] - [ 0.0012648400000000, -0.0019388600000000, -0.0004794200000000 ] - [ -0.0012648400000000, -0.0019388600000000, 0.0004794200000000 ] - [ -0.0096796300000000, 0.0114725000000000, -0.0192783200000000 ] - [ 0.0096796300000000, 0.0114725000000000, 0.0192783200000000 ] - [ -0.0012194100000000, 0.0056100800000000, 0.0002958900000000 ] - [ 0.0012194100000000, 0.0056100800000000, -0.0002958900000000 ] - [ 0.0003312500000000, 0.0016025900000000, 0.0023806300000000 ] - [ -0.0003312500000000, 0.0016025900000000, -0.0023806300000000 ] - [ 0.0001335100000000, 0.0023069400000000, 0.0002672400000000 ] - [ -0.0001335100000000, 0.0023069400000000, -0.0002672400000000 ] - [ -0.0116889000000000, -0.0081994400000000, 0.0023553400000000 ] - [ 0.0116889000000000, -0.0081994400000000, -0.0023553400000000 ] - [ -0.0012941200000000, 0.0003906000000000, -0.0000154400000000 ] - [ 0.0012941200000000, 0.0003906000000000, 0.0000154400000000 ] - [ 0.0000000000000000, -0.2841437200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0048560000000000, 0.0000000000000000 ] - [ -0.0039693600000000, -0.0023290700000000, -0.0008746200000000 ] - [ 0.0039693600000000, -0.0023290700000000, 0.0008746200000000 ] - [ 0.0014480700000000, -0.0030530500000000, 0.0004374200000000 ] - [ -0.0014480700000000, -0.0030530500000000, -0.0004374200000000 ] - [ 0.0000000000000000, 0.0029861400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0002852400000000, 0.0000000000000000 ] - [ -0.0068639500000000, 0.0089500800000000, 0.0062578800000000 ] - [ 0.0068639500000000, 0.0089500800000000, -0.0062578800000000 ] - [ -0.0022236600000000, 0.0048438000000000, 0.0002602000000000 ] - [ 0.0022236600000000, 0.0048438000000000, -0.0002602000000000 ]- atom: 85 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0051449300000000, 0.0026538100000000, -0.0009388900000000 ] - [ 0.0051449300000000, 0.0026538100000000, 0.0009388900000000 ] - [ 0.0018408900000000, -0.0025944200000000, 0.0001030000000000 ] - [ -0.0018408900000000, -0.0025944200000000, -0.0001030000000000 ] - [ 0.0018348100000000, -0.0037441300000000, 0.0021027500000000 ] - [ -0.0018348100000000, -0.0037441300000000, -0.0021027500000000 ] - [ -0.0009782400000000, -0.0012823000000000, -0.0000269500000000 ] - [ 0.0009782400000000, -0.0012823000000000, 0.0000269500000000 ] - [ 0.0001467800000000, -0.0043003000000000, -0.0020885700000000 ] - [ -0.0001467800000000, -0.0043003000000000, 0.0020885700000000 ] - [ 0.0001245400000000, -0.0015596800000000, -0.0001991400000000 ] - [ -0.0001245400000000, -0.0015596800000000, 0.0001991400000000 ] - [ -0.0050525100000000, 0.0041664900000000, 0.0010157100000000 ] - [ 0.0050525100000000, 0.0041664900000000, -0.0010157100000000 ] - [ 0.0029492200000000, -0.0046820300000000, -0.0023445600000000 ] - [ -0.0029492200000000, -0.0046820300000000, 0.0023445600000000 ] - [ 0.0636479600000000, -0.0623224500000000, 0.0137478700000000 ] - [ -0.0636479600000000, -0.0623224500000000, -0.0137478700000000 ] - [ 0.0007757000000000, 0.0048651600000000, 0.0015027000000000 ] - [ -0.0007757000000000, 0.0048651600000000, -0.0015027000000000 ] - [ 0.0042432000000000, -0.0013381500000000, -0.0129820700000000 ] - [ -0.0042432000000000, -0.0013381500000000, 0.0129820700000000 ] - [ 0.0000000000000000, -0.0047312400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0083910000000000, 0.0000000000000000 ] - [ -0.0003968000000000, 0.0015249900000000, 0.0049497200000000 ] - [ 0.0003968000000000, 0.0015249900000000, -0.0049497200000000 ] - [ 0.0111212900000000, -0.0667072900000000, -0.0569462500000000 ] - [ -0.0111212900000000, -0.0667072900000000, 0.0569462500000000 ] - [ 0.0018397800000000, 0.0022239700000000, 0.0007295200000000 ] - [ -0.0018397800000000, 0.0022239700000000, -0.0007295200000000 ] - [ -0.0027500600000000, 0.0012960300000000, 0.0028869600000000 ] - [ 0.0027500600000000, 0.0012960300000000, -0.0028869600000000 ] - [ -0.0002380000000000, 0.0013136900000000, -0.0000207100000000 ] - [ 0.0002380000000000, 0.0013136900000000, 0.0000207100000000 ] - [ 0.0003945200000000, 0.0053876400000000, -0.0001726300000000 ] - [ -0.0003945200000000, 0.0053876400000000, 0.0001726300000000 ] - [ -0.0010157600000000, 0.0026491900000000, 0.0018756800000000 ] - [ 0.0010157600000000, 0.0026491900000000, -0.0018756800000000 ] - [ 0.0000596400000000, 0.0060447900000000, 0.0003017600000000 ] - [ -0.0000596400000000, 0.0060447900000000, -0.0003017600000000 ] - [ 0.0005413500000000, 0.0016760600000000, -0.0025741400000000 ] - [ -0.0005413500000000, 0.0016760600000000, 0.0025741400000000 ] - [ -0.0046035200000000, -0.0001827400000000, -0.0037836500000000 ] - [ 0.0046035200000000, -0.0001827400000000, 0.0037836500000000 ] - [ -0.0010453700000000, 0.0009870800000000, 0.0002357800000000 ] - [ 0.0010453700000000, 0.0009870800000000, -0.0002357800000000 ] - [ -0.0014801900000000, 0.0006846000000000, 0.0000488100000000 ] - [ 0.0014801900000000, 0.0006846000000000, -0.0000488100000000 ] - [ -0.0008648400000000, -0.0012235400000000, -0.0010926900000000 ] - [ 0.0008648400000000, -0.0012235400000000, 0.0010926900000000 ] - [ 0.0003627000000000, -0.0000975300000000, 0.0004956600000000 ] - [ -0.0003627000000000, -0.0000975300000000, -0.0004956600000000 ] - [ 0.0000000000000000, 0.0006476400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0024650600000000, 0.0000000000000000 ] - [ -0.0003720100000000, 0.0014296400000000, -0.0005217400000000 ] - [ 0.0003720100000000, 0.0014296400000000, 0.0005217400000000 ] - [ 0.0004489800000000, 0.0017830400000000, 0.0000960000000000 ] - [ -0.0004489800000000, 0.0017830400000000, -0.0000960000000000 ] - [ -0.0003594500000000, 0.0001151700000000, 0.0003935200000000 ] - [ 0.0003594500000000, 0.0001151700000000, -0.0003935200000000 ] - [ 0.0033325300000000, 0.0002398100000000, -0.0007309700000000 ] - [ -0.0033325300000000, 0.0002398100000000, 0.0007309700000000 ] - [ -0.0007075900000000, 0.0037343100000000, 0.0023944200000000 ] - [ 0.0007075900000000, 0.0037343100000000, -0.0023944200000000 ] - [ 0.0007878600000000, -0.0281965200000000, 0.0128081200000000 ] - [ -0.0007878600000000, -0.0281965200000000, -0.0128081200000000 ] - [ 0.0002434900000000, 0.0215187400000000, 0.0102383200000000 ] - [ -0.0002434900000000, 0.0215187400000000, -0.0102383200000000 ] - [ 0.0033438600000000, -0.0079416700000000, -0.0001173000000000 ] - [ -0.0033438600000000, -0.0079416700000000, 0.0001173000000000 ] - [ -0.0008593200000000, 0.0025461200000000, 0.0001869800000000 ] - [ 0.0008593200000000, 0.0025461200000000, -0.0001869800000000 ] - [ 0.0099141600000000, -0.0123177300000000, 0.0187381600000000 ] - [ -0.0099141600000000, -0.0123177300000000, -0.0187381600000000 ] - [ 0.0011450800000000, -0.0047576800000000, 0.0003013300000000 ] - [ -0.0011450800000000, -0.0047576800000000, -0.0003013300000000 ] - [ -0.0003474400000000, -0.0021419000000000, -0.0022893400000000 ] - [ 0.0003474400000000, -0.0021419000000000, 0.0022893400000000 ] - [ -0.0001045300000000, -0.0017569300000000, -0.0003498900000000 ] - [ 0.0001045300000000, -0.0017569300000000, 0.0003498900000000 ] - [ 0.0112142100000000, 0.0075929600000000, -0.0020535400000000 ] - [ -0.0112142100000000, 0.0075929600000000, 0.0020535400000000 ] - [ 0.0016976000000000, 0.0001931000000000, -0.0002672300000000 ] - [ -0.0016976000000000, 0.0001931000000000, 0.0002672300000000 ] - [ 0.0000000000000000, 0.2828345500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0049200000000000, 0.0000000000000000 ] - [ 0.0049111300000000, 0.0031674600000000, 0.0013801700000000 ] - [ -0.0049111300000000, 0.0031674600000000, -0.0013801700000000 ] - [ -0.0024059000000000, 0.0021990300000000, -0.0009370600000000 ] - [ 0.0024059000000000, 0.0021990300000000, 0.0009370600000000 ] - [ 0.0000000000000000, -0.0029471200000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0002528900000000, 0.0000000000000000 ] - [ 0.0079368900000000, -0.0081303200000000, -0.0057700900000000 ] - [ -0.0079368900000000, -0.0081303200000000, 0.0057700900000000 ] - [ 0.0012698200000000, -0.0057119300000000, -0.0007829200000000 ] - [ -0.0012698200000000, -0.0057119300000000, 0.0007829200000000 ]- atom: 85 displacement: [ -0.0005876189178017, 0.0000000000000000, 0.0099827202709202 ] forces: - [ -0.0044039900000000, 0.0031224700000000, 0.0018014900000000 ] - [ -0.0040509300000000, -0.0031057900000000, 0.0017523500000000 ] - [ 0.0044103900000000, -0.0011892400000000, -0.0039191100000000 ] - [ 0.0041026900000000, 0.0011595700000000, -0.0038752800000000 ] - [ 0.0028102900000000, -0.0005974800000000, 0.0015500700000000 ] - [ 0.0027001800000000, 0.0003871600000000, 0.0012293700000000 ] - [ -0.0007359500000000, 0.0011677500000000, -0.0018671000000000 ] - [ -0.0006204200000000, -0.0009546900000000, -0.0015214000000000 ] - [ -0.0022388600000000, 0.0005818800000000, 0.0007469900000000 ] - [ -0.0010475700000000, 0.0007135600000000, 0.0007022100000000 ] - [ 0.0011149400000000, -0.0018050100000000, -0.0015426000000000 ] - [ -0.0000819500000000, 0.0005218700000000, -0.0015284100000000 ] - [ 0.0054327400000000, -0.0044156000000000, 0.0011052300000000 ] - [ 0.0053343000000000, 0.0040645900000000, 0.0011120200000000 ] - [ -0.0059549700000000, 0.0031642200000000, -0.0057504000000000 ] - [ -0.0057931400000000, -0.0027887600000000, -0.0057406500000000 ] - [ 0.0124180200000000, -0.0120900100000000, 0.0223474600000000 ] - [ 0.0129128000000000, 0.0117570300000000, 0.0223640400000000 ] - [ -0.0010121600000000, -0.0040075000000000, -0.0036132800000000 ] - [ -0.0006016600000000, 0.0044042100000000, -0.0030147900000000 ] - [ 0.0052598500000000, 0.0125396700000000, -0.0064278100000000 ] - [ 0.0047944800000000, -0.0127351400000000, -0.0069755800000000 ] - [ 0.0004189300000000, 0.0001038500000000, -0.0120090400000000 ] - [ -0.0006432500000000, -0.0000922500000000, 0.0091636600000000 ] - [ -0.0002351300000000, -0.0047797200000000, -0.0100679800000000 ] - [ 0.0006337600000000, 0.0055969900000000, -0.0103167900000000 ] - [ -0.0179827800000000, 0.0638919000000000, 0.1139788900000000 ] - [ -0.0179301100000000, -0.0599105100000000, 0.1086745900000000 ] - [ 0.0003889900000000, -0.0001283000000000, -0.0031494800000000 ] - [ 0.0003983800000000, 0.0008147500000000, -0.0034382200000000 ] - [ 0.0016129100000000, 0.0005708800000000, 0.0031017500000000 ] - [ 0.0019682800000000, -0.0005616900000000, 0.0030824900000000 ] - [ -0.0008415000000000, -0.0003785300000000, -0.0013700700000000 ] - [ -0.0011719400000000, 0.0003624800000000, -0.0013134300000000 ] - [ -0.0007640000000000, -0.0019834700000000, 0.0019462300000000 ] - [ -0.0008833900000000, 0.0017756200000000, 0.0016036100000000 ] - [ 0.0022897800000000, -0.0009292800000000, -0.0040415000000000 ] - [ 0.0024304700000000, 0.0011722800000000, -0.0037077700000000 ] - [ 0.0009897200000000, 0.0034812600000000, 0.0022635300000000 ] - [ 0.0021705400000000, -0.0021723200000000, 0.0022249700000000 ] - [ -0.0007319400000000, -0.0004538500000000, -0.0024321900000000 ] - [ -0.0019128000000000, -0.0008026500000000, -0.0024323300000000 ] - [ -0.0024330900000000, -0.0006393000000000, 0.0012331300000000 ] - [ -0.0025630800000000, 0.0002672600000000, 0.0012013400000000 ] - [ 0.0010698800000000, 0.0002469200000000, -0.0013500600000000 ] - [ 0.0011860400000000, 0.0001190500000000, -0.0013600500000000 ] - [ 0.0003937900000000, -0.0007520600000000, 0.0019903500000000 ] - [ 0.0004168300000000, 0.0000799600000000, 0.0017062000000000 ] - [ -0.0001639400000000, 0.0008303600000000, -0.0007318400000000 ] - [ 0.0002358100000000, -0.0004449400000000, -0.0001248600000000 ] - [ -0.0000893300000000, -0.0009720600000000, 0.0003605500000000 ] - [ -0.0004862900000000, 0.0005859600000000, -0.0002569200000000 ] - [ 0.0000473700000000, 0.0001006800000000, -0.0015943800000000 ] - [ -0.0016091700000000, -0.0001137600000000, 0.0023260100000000 ] - [ -0.0004563500000000, 0.0002239200000000, -0.0007973600000000 ] - [ 0.0004139300000000, 0.0006133300000000, -0.0010193400000000 ] - [ 0.0004595400000000, 0.0000304100000000, 0.0007229700000000 ] - [ -0.0004138400000000, -0.0008654500000000, 0.0009386200000000 ] - [ -0.0005923000000000, -0.0002653000000000, -0.0020494300000000 ] - [ -0.0005898600000000, 0.0009439200000000, -0.0023309300000000 ] - [ -0.0029491000000000, 0.0007788700000000, -0.0007304200000000 ] - [ -0.0030172300000000, -0.0016555700000000, -0.0001367300000000 ] - [ 0.0040056400000000, 0.0003499300000000, 0.0023656600000000 ] - [ 0.0040424600000000, 0.0005328500000000, 0.0018018800000000 ] - [ 0.0016378700000000, -0.0309270400000000, 0.0047672300000000 ] - [ 0.0016672500000000, 0.0303658100000000, 0.0046892500000000 ] - [ -0.0014988500000000, 0.0056494100000000, 0.0362538500000000 ] - [ -0.0015598100000000, -0.0049565600000000, 0.0365955100000000 ] - [ -0.0001017000000000, -0.0005064800000000, -0.0075947200000000 ] - [ 0.0002948800000000, -0.0001103100000000, -0.0078587800000000 ] - [ -0.0000471400000000, -0.0002995400000000, 0.0089281300000000 ] - [ -0.0004729800000000, 0.0008901800000000, 0.0092104300000000 ] - [ 0.0140758000000000, -0.0111290000000000, 0.0027891700000000 ] - [ 0.0138667700000000, 0.0102241200000000, 0.0034994100000000 ] - [ -0.0019874100000000, 0.0003239300000000, 0.0029925700000000 ] - [ -0.0019283200000000, 0.0005139300000000, 0.0024084900000000 ] - [ 0.0002330400000000, 0.0006908600000000, -0.0008209300000000 ] - [ 0.0002581800000000, -0.0012286200000000, -0.0009204800000000 ] - [ 0.0000421900000000, -0.0002689400000000, 0.0008401100000000 ] - [ 0.0000000000000000, 0.0008055500000000, 0.0009193000000000 ] - [ 0.0024003200000000, 0.0008104200000000, -0.0072860100000000 ] - [ 0.0029089600000000, -0.0014128800000000, -0.0075893400000000 ] - [ 0.0000777900000000, 0.0002834700000000, 0.0039744900000000 ] - [ -0.0003282700000000, 0.0003148900000000, 0.0042464600000000 ] - [ -0.0085307300000000, -0.0053840700000000, -0.3087580000000000 ] - [ -0.0010467800000000, -0.0000230900000000, 0.0124657700000000 ] - [ 0.0035785400000000, -0.0004446900000000, 0.0012620800000000 ] - [ 0.0026196300000000, 0.0012985500000000, 0.0007474400000000 ] - [ -0.0041232300000000, -0.0011530000000000, 0.0009557100000000 ] - [ -0.0031915300000000, 0.0003105300000000, 0.0014482200000000 ] - [ -0.0005450700000000, 0.0000179600000000, -0.0023956500000000 ] - [ 0.0007135900000000, -0.0000238400000000, 0.0025058600000000 ] - [ -0.0126836900000000, 0.0079446400000000, -0.0011792300000000 ] - [ -0.0137967800000000, -0.0071554200000000, -0.0017448100000000 ] - [ 0.0023241500000000, -0.0010381900000000, 0.0006488600000000 ] - [ 0.0032816100000000, 0.0001502100000000, 0.0011394800000000 ]- atom: 87 displacement: [ 0.0099999882271062, 0.0000000000000000, 0.0000153446321733 ] forces: - [ 0.1360723300000000, 0.0580604100000000, 0.0502582600000000 ] - [ -0.0025847300000000, 0.0000990600000000, -0.0001849200000000 ] - [ -0.0031060100000000, -0.0013036600000000, -0.0006993400000000 ] - [ 0.0005160100000000, -0.0001560500000000, 0.0003979900000000 ] - [ -0.0034369100000000, -0.0050933100000000, 0.0014823300000000 ] - [ 0.0010342800000000, 0.0003620000000000, 0.0008791200000000 ] - [ 0.0253221600000000, -0.0033756300000000, -0.0124332400000000 ] - [ -0.0002462900000000, -0.0003672200000000, -0.0010500300000000 ] - [ -0.0011714700000000, 0.0005187000000000, 0.0007585000000000 ] - [ 0.0246238300000000, 0.0146761300000000, -0.0081000700000000 ] - [ 0.0009009100000000, -0.0003199000000000, 0.0014637000000000 ] - [ -0.0050735200000000, -0.0030786400000000, -0.0043285100000000 ] - [ 0.0017806400000000, 0.0000705900000000, -0.0035031400000000 ] - [ -0.0144769600000000, -0.0004688900000000, 0.0006624200000000 ] - [ -0.0014412900000000, 0.0002682800000000, -0.0002369400000000 ] - [ 0.0015619100000000, 0.0012596500000000, 0.0008376300000000 ] - [ -0.0020699800000000, 0.0005028200000000, -0.0003317200000000 ] - [ 0.0018445500000000, 0.0001101600000000, -0.0004741000000000 ] - [ -0.0016210100000000, -0.0004088800000000, -0.0008249500000000 ] - [ -0.0067775700000000, -0.0045308900000000, 0.0043855200000000 ] - [ -0.0004426500000000, -0.0005311800000000, 0.0001123700000000 ] - [ -0.0017350500000000, 0.0007077600000000, -0.0003032400000000 ] - [ -0.0010032900000000, 0.0007341900000000, 0.0003925700000000 ] - [ -0.0080798800000000, -0.0027612200000000, -0.0047287700000000 ] - [ -0.0010064300000000, 0.0007080700000000, 0.0003843700000000 ] - [ -0.0032225500000000, 0.0020895300000000, 0.0038738800000000 ] - [ -0.0000869700000000, 0.0006737500000000, -0.0013708800000000 ] - [ -0.0042877200000000, 0.0050235000000000, -0.0011253900000000 ] - [ -0.0039073700000000, -0.0002007200000000, 0.0001262600000000 ] - [ 0.0003059500000000, -0.0000938800000000, 0.0011671600000000 ] - [ -0.0018256600000000, -0.0005539500000000, 0.0000492600000000 ] - [ 0.0020618700000000, -0.0010704800000000, 0.0007735800000000 ] - [ 0.0133308700000000, -0.0037872800000000, 0.0033263000000000 ] - [ -0.0014424000000000, 0.0006086800000000, -0.0010041900000000 ] - [ -0.0000358500000000, -0.0080116700000000, 0.0018841200000000 ] - [ -0.0009980100000000, -0.0001770000000000, -0.0003128300000000 ] - [ -0.0011425300000000, 0.0001812000000000, -0.0001275000000000 ] - [ 0.0005072300000000, -0.0006940500000000, -0.0004058000000000 ] - [ -0.0001400900000000, -0.0039483900000000, -0.0039749700000000 ] - [ -0.0009901700000000, 0.0004821700000000, 0.0000795700000000 ] - [ 0.0000086800000000, -0.0007393500000000, -0.0003071700000000 ] - [ -0.0001868200000000, -0.0021929900000000, 0.0014473800000000 ] - [ -0.0007724100000000, -0.0005444900000000, 0.0004632900000000 ] - [ 0.0027350500000000, -0.0011000500000000, -0.0006572600000000 ] - [ 0.0025658300000000, -0.0001547600000000, 0.0004207600000000 ] - [ -0.0085102500000000, 0.0036060800000000, -0.0036412400000000 ] - [ 0.0110037800000000, 0.0006081600000000, 0.0039635000000000 ] - [ -0.0067954000000000, 0.0034653700000000, 0.0052522400000000 ] - [ 0.0005331200000000, 0.0006152800000000, -0.0001494500000000 ] - [ 0.0013975200000000, -0.0013243300000000, -0.0001840200000000 ] - [ 0.0009538800000000, -0.0002763400000000, 0.0009272300000000 ] - [ 0.1386081700000000, -0.0705042500000000, -0.0085967100000000 ] - [ 0.0025036800000000, 0.0000559600000000, -0.0051673700000000 ] - [ 0.0004722000000000, 0.0000355800000000, 0.0008684200000000 ] - [ -0.0000260900000000, 0.0007789800000000, -0.0003377200000000 ] - [ 0.0008133200000000, 0.0061731500000000, -0.0021429300000000 ] - [ 0.0010200400000000, 0.0002142400000000, 0.0013199700000000 ] - [ -0.0005938100000000, 0.0069246000000000, 0.0028551500000000 ] - [ 0.0020159300000000, 0.0008421100000000, -0.0002796300000000 ] - [ -0.0006887900000000, 0.0005902700000000, -0.0008942900000000 ] - [ -0.0046149900000000, -0.0001497900000000, -0.0018597100000000 ] - [ 0.0375393400000000, -0.0011344200000000, -0.0023064700000000 ] - [ 0.0003670900000000, 0.0011038900000000, 0.0005483900000000 ] - [ -0.0113426300000000, -0.0004840900000000, 0.0041781300000000 ] - [ 0.0375520700000000, 0.0009864000000000, -0.0009960700000000 ] - [ 0.0027305300000000, -0.0007922900000000, 0.0032877500000000 ] - [ 0.0035041400000000, -0.0043014900000000, -0.0020137500000000 ] - [ 0.0005684600000000, -0.0008095200000000, 0.0005567100000000 ] - [ -0.0030570900000000, 0.0175571800000000, 0.0216379700000000 ] - [ 0.0081160300000000, 0.0003787500000000, -0.0007755700000000 ] - [ 0.0020107300000000, 0.0005204600000000, 0.0006166500000000 ] - [ -0.0012489500000000, 0.0010515000000000, -0.0009336700000000 ] - [ 0.0016097100000000, -0.0005327900000000, 0.0000304700000000 ] - [ -0.0014926500000000, 0.0023925900000000, -0.0000642600000000 ] - [ -0.0009278300000000, 0.0009227800000000, 0.0010806900000000 ] - [ 0.0087642400000000, 0.0002515800000000, -0.0007869600000000 ] - [ -0.0008159600000000, -0.0029648900000000, -0.0007191800000000 ] - [ -0.0007853200000000, -0.0012682300000000, -0.0007785000000000 ] - [ -0.0023352600000000, -0.0252517100000000, 0.0166192500000000 ] - [ -0.0012819800000000, 0.0000123500000000, 0.0010303700000000 ] - [ 0.0018440400000000, 0.0021217300000000, -0.0025785000000000 ] - [ -0.0030571900000000, 0.0016633800000000, -0.0030706000000000 ] - [ -0.0069815100000000, 0.0025612400000000, -0.0045329700000000 ] - [ 0.0034190200000000, -0.0009819000000000, 0.0060609000000000 ] - [ 0.0013008900000000, -0.0044377600000000, 0.0031971800000000 ] - [ 0.0031646100000000, 0.0019217700000000, -0.0034934900000000 ] - [ -0.3650315400000000, 0.0037250400000000, -0.0372208300000000 ] - [ 0.0011541800000000, -0.0000295000000000, -0.0006792100000000 ] - [ 0.0037410300000000, 0.0060205000000000, 0.0016575800000000 ] - [ -0.0006187500000000, -0.0009652000000000, -0.0005035100000000 ] - [ -0.0011344800000000, -0.0073606600000000, -0.0133263800000000 ] - [ -0.0014972900000000, -0.0017632300000000, 0.0027208700000000 ] - [ 0.0035200400000000, 0.0006227200000000, 0.0001666200000000 ] - [ -0.0017857000000000, 0.0030492100000000, 0.0002992700000000 ] - [ -0.0003343300000000, 0.0133453100000000, -0.0107581700000000 ] - [ 0.0028695200000000, -0.0002578400000000, 0.0007744400000000 ]- atom: 87 displacement: [ -0.0099999882271062, 0.0000000000000000, -0.0000153446321733 ] forces: - [ -0.1299269500000000, -0.0539296500000000, -0.0467568200000000 ] - [ 0.0029135400000000, -0.0000815100000000, 0.0001296300000000 ] - [ 0.0034377200000000, 0.0012986800000000, 0.0006506300000000 ] - [ -0.0008353000000000, 0.0001339800000000, -0.0003401000000000 ] - [ 0.0035730500000000, 0.0048969100000000, -0.0011392800000000 ] - [ -0.0011425700000000, -0.0005741800000000, -0.0012106300000000 ] - [ -0.0256556100000000, 0.0038497000000000, 0.0127320300000000 ] - [ 0.0003530700000000, 0.0005802100000000, 0.0014043000000000 ] - [ -0.0000296300000000, 0.0007447300000000, -0.0007518100000000 ] - [ -0.0231509100000000, -0.0126189900000000, 0.0077325500000000 ] - [ 0.0003004500000000, -0.0009475700000000, -0.0014910500000000 ] - [ 0.0039180200000000, 0.0018181900000000, 0.0043661900000000 ] - [ -0.0016575000000000, -0.0004387300000000, 0.0034980600000000 ] - [ 0.0143570400000000, 0.0000885900000000, -0.0006586600000000 ] - [ 0.0013245200000000, 0.0000950200000000, 0.0002466800000000 ] - [ -0.0014133900000000, -0.0008876000000000, -0.0008430500000000 ] - [ 0.0020589000000000, -0.0011702000000000, 0.0006119200000000 ] - [ -0.0018154600000000, -0.0007783200000000, 0.0001862400000000 ] - [ 0.0012065500000000, 0.0007791800000000, 0.0002135900000000 ] - [ 0.0071869000000000, 0.0048865400000000, -0.0037740400000000 ] - [ 0.0008638000000000, 0.0001605800000000, 0.0005036700000000 ] - [ 0.0013326900000000, -0.0010779800000000, -0.0003144900000000 ] - [ 0.0010110800000000, -0.0005241700000000, -0.0003861800000000 ] - [ 0.0081211200000000, 0.0025490000000000, 0.0047553600000000 ] - [ 0.0001377600000000, 0.0001175300000000, -0.0001659800000000 ] - [ 0.0040638400000000, -0.0012584600000000, -0.0040578000000000 ] - [ 0.0009611600000000, -0.0014984200000000, 0.0011574100000000 ] - [ 0.0033905900000000, -0.0058300100000000, 0.0013201700000000 ] - [ 0.0038914300000000, 0.0008625600000000, 0.0001620600000000 ] - [ -0.0002733700000000, 0.0007575200000000, -0.0014421100000000 ] - [ 0.0014923300000000, 0.0005790200000000, 0.0000047800000000 ] - [ -0.0017413500000000, 0.0010846100000000, -0.0008199000000000 ] - [ -0.0129649300000000, 0.0037854400000000, -0.0033755700000000 ] - [ 0.0011193700000000, -0.0006367100000000, 0.0010670700000000 ] - [ 0.0001460800000000, 0.0077984000000000, -0.0015424700000000 ] - [ 0.0008915400000000, -0.0000323400000000, -0.0000393300000000 ] - [ 0.0010347600000000, 0.0000314900000000, -0.0002221800000000 ] - [ -0.0003958200000000, 0.0009063700000000, 0.0007576700000000 ] - [ -0.0010567400000000, 0.0052131500000000, 0.0039941500000000 ] - [ 0.0021923200000000, 0.0007819700000000, -0.0000957100000000 ] - [ 0.0011929000000000, -0.0005125000000000, 0.0003004000000000 ] - [ -0.0010050000000000, 0.0009339900000000, -0.0014315600000000 ] - [ 0.0008851600000000, 0.0001848600000000, -0.0004738900000000 ] - [ -0.0028514700000000, 0.0007101800000000, 0.0006679900000000 ] - [ -0.0026837500000000, 0.0005250300000000, -0.0004216600000000 ] - [ 0.0085965500000000, -0.0032532500000000, 0.0036083400000000 ] - [ -0.0110339400000000, -0.0012867800000000, -0.0036967100000000 ] - [ 0.0067990800000000, -0.0041553000000000, -0.0055278600000000 ] - [ -0.0009462600000000, -0.0002387500000000, -0.0004654300000000 ] - [ -0.0010127700000000, 0.0017232200000000, 0.0008022300000000 ] - [ -0.0005549800000000, -0.0001062500000000, -0.0003129700000000 ] - [ -0.1464264200000000, 0.0755505900000000, 0.0082178400000000 ] - [ -0.0025197400000000, 0.0001360800000000, 0.0051763400000000 ] - [ -0.0004896500000000, -0.0002385500000000, -0.0008699600000000 ] - [ -0.0008479000000000, 0.0000447000000000, 0.0005437300000000 ] - [ 0.0000529300000000, -0.0053422400000000, 0.0019367400000000 ] - [ -0.0001520600000000, -0.0010418300000000, -0.0015286300000000 ] - [ -0.0002732400000000, -0.0077506200000000, -0.0026403700000000 ] - [ -0.0020283100000000, -0.0001818400000000, 0.0005513800000000 ] - [ 0.0006976700000000, 0.0000855400000000, 0.0006103500000000 ] - [ 0.0047020800000000, -0.0007330400000000, 0.0012692900000000 ] - [ -0.0377776000000000, 0.0004066300000000, 0.0029031400000000 ] - [ -0.0004397200000000, -0.0002336600000000, 0.0000355700000000 ] - [ 0.0114416700000000, 0.0015137500000000, -0.0047016700000000 ] - [ -0.0373931000000000, -0.0014156100000000, 0.0011714000000000 ] - [ -0.0027072700000000, 0.0002561500000000, -0.0033811000000000 ] - [ -0.0034859900000000, 0.0048108900000000, 0.0019134700000000 ] - [ -0.0005983100000000, 0.0013519200000000, -0.0004687500000000 ] - [ 0.0026902400000000, -0.0181441000000000, -0.0213542300000000 ] - [ -0.0077357800000000, -0.0009704500000000, 0.0005057200000000 ] - [ -0.0016201800000000, 0.0000620300000000, -0.0009079900000000 ] - [ 0.0008475900000000, -0.0004615300000000, 0.0012144700000000 ] - [ -0.0015304800000000, -0.0003457600000000, -0.0006094200000000 ] - [ 0.0013934300000000, -0.0032710200000000, 0.0006491300000000 ] - [ 0.0008410500000000, -0.0000446200000000, -0.0005026800000000 ] - [ -0.0086684900000000, 0.0006307800000000, 0.0002010100000000 ] - [ 0.0008137400000000, 0.0024092400000000, 0.0008137700000000 ] - [ 0.0008209100000000, 0.0007209100000000, 0.0006899200000000 ] - [ 0.0023612000000000, 0.0258433700000000, -0.0167053100000000 ] - [ 0.0012701600000000, 0.0005403500000000, -0.0009433500000000 ] - [ -0.0022228100000000, -0.0027322700000000, 0.0028830600000000 ] - [ 0.0034456200000000, -0.0022306500000000, 0.0027696500000000 ] - [ 0.0073562900000000, -0.0019906600000000, 0.0043180600000000 ] - [ -0.0038085800000000, 0.0016031700000000, -0.0058042000000000 ] - [ -0.0013105700000000, 0.0044483000000000, -0.0031690600000000 ] - [ -0.0031672700000000, -0.0019349900000000, 0.0034575100000000 ] - [ 0.3667574300000000, -0.0139011200000000, 0.0335150500000000 ] - [ -0.0021063000000000, 0.0009006200000000, 0.0001704600000000 ] - [ -0.0047088000000000, -0.0069340600000000, -0.0021768900000000 ] - [ 0.0015766200000000, 0.0001120800000000, 0.0010122800000000 ] - [ 0.0011390600000000, 0.0074225700000000, 0.0133382800000000 ] - [ 0.0015148700000000, 0.0017261200000000, -0.0027200000000000 ] - [ -0.0025611600000000, 0.0002295200000000, 0.0003444400000000 ] - [ 0.0008200500000000, -0.0021910800000000, -0.0008095200000000 ] - [ -0.0006543500000000, -0.0141518800000000, 0.0102296200000000 ] - [ -0.0019141400000000, -0.0006027200000000, -0.0002644400000000 ]- atom: 87 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0586529400000000, 0.0507316300000000, 0.0289489500000000 ] - [ -0.0002579400000000, 0.0011128600000000, -0.0011048700000000 ] - [ -0.0000947400000000, 0.0001706700000000, -0.0004354700000000 ] - [ 0.0012161100000000, -0.0005858200000000, 0.0007473100000000 ] - [ -0.0021159600000000, 0.0042095700000000, -0.0006857500000000 ] - [ -0.0003946700000000, 0.0032110900000000, 0.0079185600000000 ] - [ -0.0044945500000000, 0.0473734500000000, 0.0373393100000000 ] - [ -0.0002437600000000, 0.0018915200000000, 0.0007740900000000 ] - [ -0.0012917200000000, 0.0023025100000000, 0.0009138200000000 ] - [ 0.0173004100000000, 0.1344289200000000, -0.0573097600000000 ] - [ 0.0004784100000000, 0.0026067000000000, -0.0006428000000000 ] - [ -0.0012375600000000, 0.0044713700000000, 0.0011286300000000 ] - [ 0.0000399500000000, 0.0011158500000000, -0.0026634200000000 ] - [ 0.0008116400000000, -0.0022839400000000, -0.0005520600000000 ] - [ -0.0000899500000000, -0.0000054800000000, 0.0000557000000000 ] - [ 0.0078750800000000, -0.0054834500000000, -0.0022774900000000 ] - [ 0.0003178500000000, -0.0005505400000000, 0.0005256300000000 ] - [ 0.0067038500000000, -0.0033711200000000, 0.0002989600000000 ] - [ -0.0002178600000000, -0.0000374000000000, -0.0004775800000000 ] - [ -0.0035172700000000, -0.0013541800000000, 0.0017319100000000 ] - [ 0.0008692600000000, -0.0010486800000000, 0.0008694700000000 ] - [ 0.0015864800000000, -0.0015898200000000, -0.0005140400000000 ] - [ 0.0012339500000000, -0.0002502600000000, -0.0006346200000000 ] - [ -0.0035129100000000, -0.0006132300000000, -0.0034566600000000 ] - [ -0.0002174900000000, 0.0020829000000000, 0.0002999900000000 ] - [ 0.0014671800000000, 0.0038495900000000, 0.0009104700000000 ] - [ 0.0013096200000000, 0.0016884000000000, 0.0006950000000000 ] - [ 0.0010392100000000, 0.0043209700000000, -0.0004050100000000 ] - [ 0.0005575100000000, 0.0014455400000000, 0.0012759500000000 ] - [ 0.0002782900000000, 0.0022689500000000, 0.0008111700000000 ] - [ -0.0019731200000000, -0.0015088600000000, -0.0002215000000000 ] - [ 0.0012418200000000, -0.0047083100000000, 0.0045735400000000 ] - [ -0.0041972900000000, -0.0083506200000000, 0.0133595400000000 ] - [ 0.0000474700000000, -0.0003848900000000, 0.0003341800000000 ] - [ -0.0021650200000000, -0.0075474700000000, -0.0002187800000000 ] - [ 0.0000799800000000, -0.0017652500000000, -0.0012952100000000 ] - [ -0.0001385800000000, -0.0024256700000000, 0.0002328100000000 ] - [ 0.0006396900000000, -0.0023559000000000, -0.0001541500000000 ] - [ -0.0004978300000000, -0.0033371300000000, -0.0029613900000000 ] - [ 0.0004850600000000, -0.0020691300000000, 0.0003098500000000 ] - [ 0.0006390100000000, -0.0019104300000000, -0.0002820000000000 ] - [ -0.0017741400000000, -0.0083327500000000, 0.0011413600000000 ] - [ -0.0009974000000000, -0.0005384800000000, 0.0006189100000000 ] - [ 0.0000978900000000, -0.0107387200000000, -0.0010437100000000 ] - [ -0.0001698600000000, 0.0017623000000000, -0.0016063600000000 ] - [ 0.0047134400000000, -0.0004474900000000, 0.0030102200000000 ] - [ 0.0018295700000000, -0.0009479200000000, -0.0095452800000000 ] - [ 0.0029604400000000, -0.0020767900000000, -0.0030295100000000 ] - [ -0.0017916200000000, -0.0003906100000000, -0.0000923100000000 ] - [ -0.0073482200000000, -0.0039180200000000, -0.0010839500000000 ] - [ 0.0004742300000000, 0.0010183600000000, -0.0005792100000000 ] - [ -0.0761742300000000, 0.0663349800000000, 0.0024479900000000 ] - [ -0.0002603900000000, 0.0026927500000000, 0.0044133800000000 ] - [ -0.0060844100000000, -0.0047205300000000, 0.0015747500000000 ] - [ -0.0009955800000000, -0.0020924200000000, 0.0000311800000000 ] - [ 0.0007988500000000, -0.0071719000000000, 0.0010815700000000 ] - [ 0.0008702600000000, -0.0040325300000000, -0.0023937100000000 ] - [ 0.0014271200000000, -0.0081193600000000, -0.0007458300000000 ] - [ -0.0011801100000000, -0.0056879900000000, -0.0049971900000000 ] - [ -0.0008745200000000, -0.0005885000000000, -0.0005320900000000 ] - [ -0.0002733300000000, -0.0098448900000000, 0.0032922600000000 ] - [ -0.0125419200000000, -0.0084309500000000, 0.0012103000000000 ] - [ 0.0014129600000000, -0.0007720800000000, 0.0001483300000000 ] - [ -0.0003424900000000, 0.0483781800000000, 0.0328399300000000 ] - [ 0.0097865100000000, -0.0079883600000000, -0.0021564600000000 ] - [ 0.0002362200000000, -0.0033299800000000, 0.0020802800000000 ] - [ -0.0046182100000000, -0.0015216700000000, 0.0003351800000000 ] - [ -0.0014546200000000, -0.0009424500000000, -0.0000023800000000 ] - [ 0.0071497000000000, 0.0099196100000000, 0.0143293800000000 ] - [ -0.0000248800000000, 0.0016786200000000, 0.0020414000000000 ] - [ 0.0002557200000000, 0.0021213600000000, -0.0003253200000000 ] - [ -0.0023117400000000, 0.0055291200000000, 0.0008219400000000 ] - [ 0.0000681500000000, 0.0016324300000000, -0.0005743700000000 ] - [ -0.0043819200000000, 0.0100702500000000, 0.0014533000000000 ] - [ -0.0001517300000000, 0.0017101700000000, 0.0006624600000000 ] - [ 0.0000179800000000, 0.0031865300000000, -0.0018558700000000 ] - [ 0.0039404100000000, 0.0104416200000000, 0.0008546900000000 ] - [ 0.0018292600000000, 0.0042290200000000, -0.0017673200000000 ] - [ -0.0154846000000000, 0.0207440300000000, -0.0117138000000000 ] - [ 0.0002320800000000, 0.0018003800000000, -0.0004444500000000 ] - [ 0.0034873800000000, -0.0010249900000000, -0.0004963900000000 ] - [ -0.0012095800000000, 0.0270338100000000, -0.0251548600000000 ] - [ 0.0008004300000000, -0.0195053000000000, -0.0030467900000000 ] - [ -0.0006975300000000, -0.0025567100000000, -0.0023001100000000 ] - [ -0.0048998400000000, -0.0027242900000000, -0.0011574700000000 ] - [ -0.0008023100000000, -0.0026506700000000, -0.0007729800000000 ] - [ 0.0105045000000000, -0.3473407100000000, -0.0292937800000000 ] - [ -0.0000134300000000, -0.0024636200000000, 0.0000376400000000 ] - [ 0.0059850300000000, -0.0047705600000000, 0.0011308000000000 ] - [ 0.0010221900000000, 0.0000707900000000, -0.0026578700000000 ] - [ -0.0054983800000000, 0.0085500600000000, 0.0072504100000000 ] - [ 0.0029697700000000, 0.0052623700000000, -0.0004343100000000 ] - [ 0.0006764500000000, 0.0044340300000000, 0.0005995700000000 ] - [ -0.0030983800000000, 0.0050923300000000, -0.0008428800000000 ] - [ 0.0133898200000000, 0.0154603500000000, -0.0012450800000000 ] - [ 0.0003064600000000, 0.0007728200000000, 0.0007221400000000 ]- atom: 87 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0574681200000000, -0.0507949200000000, -0.0282216800000000 ] - [ 0.0005870200000000, -0.0010933700000000, 0.0010540300000000 ] - [ 0.0004239600000000, -0.0001933100000000, 0.0003817100000000 ] - [ -0.0015374900000000, 0.0005575500000000, -0.0006845400000000 ] - [ 0.0022291900000000, -0.0044485100000000, 0.0010301700000000 ] - [ 0.0002875000000000, -0.0034074000000000, -0.0082774900000000 ] - [ 0.0044638700000000, -0.0471004800000000, -0.0385138900000000 ] - [ 0.0003514300000000, -0.0016777800000000, -0.0004303600000000 ] - [ 0.0000889700000000, -0.0010367200000000, -0.0008939200000000 ] - [ -0.0172274700000000, -0.1415614200000000, 0.0619046800000000 ] - [ 0.0007249400000000, -0.0038559500000000, 0.0006050900000000 ] - [ 0.0000275200000000, -0.0057479500000000, -0.0011249900000000 ] - [ 0.0000717300000000, -0.0014686900000000, 0.0026632000000000 ] - [ -0.0009323300000000, 0.0019497400000000, 0.0005582700000000 ] - [ -0.0000273600000000, 0.0003674500000000, -0.0000448600000000 ] - [ -0.0077847400000000, 0.0058598700000000, 0.0022894500000000 ] - [ -0.0003302800000000, -0.0001225300000000, -0.0002386500000000 ] - [ -0.0066834200000000, 0.0027031600000000, -0.0006008500000000 ] - [ -0.0001930000000000, 0.0004197100000000, -0.0001369600000000 ] - [ 0.0038828400000000, 0.0017694700000000, -0.0011335700000000 ] - [ -0.0004658100000000, 0.0006686100000000, -0.0002521300000000 ] - [ -0.0020026500000000, 0.0012073700000000, -0.0001066600000000 ] - [ -0.0012423200000000, 0.0004507200000000, 0.0006407100000000 ] - [ 0.0035403300000000, 0.0004270600000000, 0.0034907400000000 ] - [ -0.0006555700000000, -0.0012555300000000, -0.0000919100000000 ] - [ -0.0005837100000000, -0.0030328600000000, -0.0011334500000000 ] - [ -0.0004370300000000, -0.0025206700000000, -0.0009013400000000 ] - [ -0.0019141400000000, -0.0051744800000000, 0.0006192400000000 ] - [ -0.0005735900000000, -0.0007714400000000, -0.0009906200000000 ] - [ -0.0002730400000000, -0.0015770900000000, -0.0010896300000000 ] - [ 0.0016505800000000, 0.0015273600000000, 0.0002709800000000 ] - [ -0.0009055800000000, 0.0046999400000000, -0.0045981800000000 ] - [ 0.0044650600000000, 0.0082428300000000, -0.0132156000000000 ] - [ -0.0003691100000000, 0.0003681400000000, -0.0002785500000000 ] - [ 0.0022406200000000, 0.0073190900000000, 0.0005225700000000 ] - [ -0.0001866700000000, 0.0015592100000000, 0.0009539100000000 ] - [ 0.0000318100000000, 0.0026449600000000, -0.0005821100000000 ] - [ -0.0005322900000000, 0.0025759600000000, 0.0005101600000000 ] - [ -0.0007039300000000, 0.0046147100000000, 0.0029821900000000 ] - [ 0.0007150800000000, 0.0033452100000000, -0.0003305600000000 ] - [ 0.0005641500000000, 0.0006539600000000, 0.0002709400000000 ] - [ 0.0005472200000000, 0.0070307300000000, -0.0011224500000000 ] - [ 0.0011146600000000, 0.0001776400000000, -0.0006248700000000 ] - [ -0.0002033200000000, 0.0103552900000000, 0.0010287000000000 ] - [ 0.0000524900000000, -0.0013887500000000, 0.0016146000000000 ] - [ -0.0046003400000000, 0.0008456400000000, -0.0030487700000000 ] - [ -0.0018324500000000, 0.0003036100000000, 0.0097585400000000 ] - [ -0.0029417800000000, 0.0014336700000000, 0.0027693300000000 ] - [ 0.0013790300000000, 0.0007653100000000, -0.0005218500000000 ] - [ 0.0077862900000000, 0.0043190200000000, 0.0017120100000000 ] - [ -0.0000666400000000, -0.0013937900000000, 0.0011992000000000 ] - [ 0.0730098600000000, -0.0661087600000000, -0.0030097000000000 ] - [ 0.0002785300000000, -0.0024570200000000, -0.0043994700000000 ] - [ 0.0060683400000000, 0.0045075500000000, -0.0015830200000000 ] - [ 0.0001266900000000, 0.0029217200000000, 0.0001866400000000 ] - [ 0.0000840300000000, 0.0079917700000000, -0.0012837000000000 ] - [ 0.0000069700000000, 0.0032064000000000, 0.0021819200000000 ] - [ -0.0022688000000000, 0.0072894300000000, 0.0009402100000000 ] - [ 0.0011756000000000, 0.0063701300000000, 0.0053092900000000 ] - [ 0.0008951300000000, 0.0012557900000000, 0.0002535100000000 ] - [ 0.0003550900000000, 0.0089470800000000, -0.0038751600000000 ] - [ 0.0125668500000000, 0.0075742200000000, -0.0006367400000000 ] - [ -0.0014850800000000, 0.0016548500000000, 0.0004304200000000 ] - [ 0.0003975000000000, -0.0480726300000000, -0.0338124500000000 ] - [ -0.0099186900000000, 0.0074396100000000, 0.0022615900000000 ] - [ -0.0002066600000000, 0.0027885400000000, -0.0021783900000000 ] - [ 0.0046679100000000, 0.0020988100000000, -0.0004201900000000 ] - [ 0.0014268200000000, 0.0015007600000000, 0.0000802500000000 ] - [ -0.0074636700000000, -0.0105841300000000, -0.0140065900000000 ] - [ 0.0004168000000000, -0.0022856200000000, -0.0023287600000000 ] - [ 0.0001427500000000, -0.0015296900000000, 0.0000401600000000 ] - [ 0.0019211600000000, -0.0049169400000000, -0.0005722600000000 ] - [ 0.0000086600000000, -0.0025048300000000, -0.0000112300000000 ] - [ 0.0043094600000000, -0.0109201800000000, -0.0008486900000000 ] - [ 0.0000858200000000, -0.0008445400000000, -0.0000931300000000 ] - [ 0.0000755500000000, -0.0023260500000000, 0.0012804500000000 ] - [ -0.0039724300000000, -0.0109796400000000, -0.0007540300000000 ] - [ -0.0017924300000000, -0.0047699100000000, 0.0016785400000000 ] - [ 0.0152522100000000, -0.0201696100000000, 0.0115905800000000 ] - [ -0.0002666600000000, -0.0012542400000000, 0.0005209600000000 ] - [ -0.0038840600000000, 0.0004379100000000, 0.0007808000000000 ] - [ 0.0015905400000000, -0.0276953800000000, 0.0249020800000000 ] - [ -0.0004166100000000, 0.0199105000000000, 0.0027951900000000 ] - [ 0.0002976300000000, 0.0031428900000000, 0.0025997200000000 ] - [ 0.0049098000000000, 0.0027718100000000, 0.0011626900000000 ] - [ 0.0008069300000000, 0.0026012300000000, 0.0007866800000000 ] - [ -0.0071819000000000, 0.3565967000000000, 0.0254279200000000 ] - [ -0.0009471100000000, 0.0033204700000000, -0.0005455000000000 ] - [ -0.0069672100000000, 0.0039480300000000, -0.0016399500000000 ] - [ -0.0000657100000000, -0.0009152700000000, 0.0031669600000000 ] - [ 0.0054364200000000, -0.0085276600000000, -0.0072324900000000 ] - [ -0.0029855300000000, -0.0052932100000000, 0.0004136100000000 ] - [ 0.0002838300000000, -0.0035822600000000, -0.0000877500000000 ] - [ 0.0021336200000000, -0.0042228800000000, 0.0003293600000000 ] - [ -0.0141125800000000, -0.0162275400000000, 0.0007836000000000 ] - [ 0.0006525300000000, -0.0016275200000000, -0.0002239100000000 ]- atom: 87 displacement: [ -0.0005876189178017, 0.0000000000000000, 0.0099827202709202 ] forces: - [ 0.0381255600000000, 0.0234303400000000, 0.0381311700000000 ] - [ -0.0002535200000000, 0.0000544300000000, -0.0009200400000000 ] - [ 0.0002270700000000, -0.0004195600000000, 0.0004652800000000 ] - [ 0.0002175300000000, -0.0004723700000000, -0.0021450100000000 ] - [ 0.0010647300000000, 0.0006066400000000, 0.0020441900000000 ] - [ 0.0004414400000000, 0.0008200200000000, -0.0076135900000000 ] - [ -0.0163190000000000, 0.0378735700000000, 0.1324710000000000 ] - [ -0.0002528700000000, -0.0001660200000000, -0.0015840300000000 ] - [ -0.0001673400000000, 0.0006261700000000, -0.0011469600000000 ] - [ -0.0098742600000000, -0.0550889400000000, 0.0563519500000000 ] - [ 0.0009026300000000, -0.0037524900000000, -0.0109156100000000 ] - [ -0.0030391400000000, -0.0005847500000000, 0.0019951800000000 ] - [ -0.0011134500000000, -0.0008860600000000, -0.0040834000000000 ] - [ -0.0019145100000000, -0.0015181600000000, 0.0010720600000000 ] - [ 0.0000036100000000, 0.0000031900000000, -0.0006331300000000 ] - [ 0.0031870000000000, -0.0035505700000000, 0.0022542800000000 ] - [ -0.0002985100000000, 0.0001156800000000, -0.0001233100000000 ] - [ -0.0021723300000000, 0.0017787700000000, 0.0003524700000000 ] - [ 0.0001044400000000, 0.0000186500000000, -0.0015677000000000 ] - [ 0.0001718000000000, -0.0018427300000000, 0.0043323400000000 ] - [ 0.0000508700000000, -0.0004807600000000, -0.0006349300000000 ] - [ 0.0000099700000000, -0.0004027600000000, 0.0007482400000000 ] - [ 0.0007867600000000, 0.0001127000000000, -0.0005339800000000 ] - [ -0.0023836600000000, -0.0000552300000000, -0.0013870000000000 ] - [ 0.0002015900000000, -0.0002101300000000, -0.0017625000000000 ] - [ 0.0035617400000000, 0.0003769800000000, 0.0018075700000000 ] - [ -0.0001783400000000, -0.0001502800000000, -0.0014340800000000 ] - [ -0.0017463400000000, 0.0013794300000000, 0.0015208900000000 ] - [ 0.0002746000000000, 0.0011827400000000, 0.0006000600000000 ] - [ 0.0053310900000000, 0.0022802000000000, -0.0033233600000000 ] - [ 0.0000876200000000, 0.0000346300000000, 0.0007609300000000 ] - [ -0.0001073400000000, 0.0011853000000000, -0.0019304900000000 ] - [ 0.0032106200000000, 0.0139669600000000, 0.0026827000000000 ] - [ -0.0011066600000000, 0.0003379800000000, -0.0011691100000000 ] - [ 0.0001218000000000, -0.0031170600000000, 0.0040487200000000 ] - [ -0.0000438300000000, -0.0002392400000000, -0.0010180200000000 ] - [ -0.0000642200000000, -0.0001105900000000, 0.0003189900000000 ] - [ 0.0002671000000000, 0.0000392700000000, -0.0015333400000000 ] - [ -0.0011077500000000, -0.0008777200000000, -0.0026341500000000 ] - [ 0.0006710700000000, 0.0001133800000000, 0.0007085100000000 ] - [ 0.0005301700000000, -0.0005809100000000, -0.0005340200000000 ] - [ 0.0011573000000000, 0.0014428400000000, 0.0013090300000000 ] - [ 0.0003843300000000, -0.0003691300000000, -0.0007924300000000 ] - [ -0.0004589300000000, 0.0024351600000000, 0.0062392300000000 ] - [ 0.0001849200000000, 0.0021028200000000, -0.0076034000000000 ] - [ -0.0000919000000000, -0.0009935200000000, 0.0025935500000000 ] - [ 0.0035869100000000, -0.0079411300000000, -0.0074855700000000 ] - [ 0.0008600200000000, -0.0004208800000000, 0.0009966800000000 ] - [ -0.0000412600000000, -0.0005192800000000, -0.0022376300000000 ] - [ -0.0014702800000000, -0.0010917100000000, 0.0034710600000000 ] - [ 0.0012878400000000, -0.0004226900000000, -0.0021549900000000 ] - [ -0.0122684200000000, 0.0034934600000000, 0.0184256400000000 ] - [ -0.0062205400000000, 0.0045124000000000, -0.0025982100000000 ] - [ 0.0020549400000000, 0.0018034800000000, -0.0002314700000000 ] - [ -0.0006521100000000, 0.0008113500000000, -0.0012300300000000 ] - [ -0.0003885400000000, 0.0003632500000000, 0.0010265600000000 ] - [ 0.0019804900000000, -0.0022131800000000, -0.0028910800000000 ] - [ 0.0003507200000000, -0.0015782500000000, 0.0028402700000000 ] - [ -0.0003308400000000, -0.0010689600000000, -0.0002889400000000 ] - [ -0.0004292800000000, 0.0003023800000000, -0.0005429200000000 ] - [ -0.0010535500000000, -0.0014342400000000, 0.0149617900000000 ] - [ -0.0034785100000000, -0.0008425700000000, -0.0034763800000000 ] - [ 0.0003807300000000, 0.0008857200000000, 0.0020718100000000 ] - [ 0.0037189400000000, 0.0346461900000000, -0.0244529800000000 ] - [ 0.0084914500000000, -0.0017466800000000, -0.0063313000000000 ] - [ 0.0014823900000000, -0.0004462300000000, 0.0030567700000000 ] - [ -0.0026583900000000, 0.0012984600000000, -0.0026784400000000 ] - [ -0.0005886800000000, 0.0006746500000000, 0.0021299400000000 ] - [ 0.0093903200000000, 0.0110389100000000, 0.0085815100000000 ] - [ 0.0006916600000000, 0.0007437100000000, 0.0003016600000000 ] - [ 0.0001264000000000, 0.0006916200000000, 0.0001264000000000 ] - [ -0.0014317400000000, 0.0011176600000000, 0.0023188900000000 ] - [ 0.0000438500000000, -0.0005682700000000, 0.0006142300000000 ] - [ 0.0009292600000000, -0.0004734900000000, -0.0041092800000000 ] - [ -0.0015477200000000, -0.0006371400000000, 0.0053642200000000 ] - [ 0.0000869200000000, 0.0003859100000000, -0.0020581500000000 ] - [ -0.0006487000000000, -0.0000383500000000, -0.0027155400000000 ] - [ -0.0005241200000000, 0.0002347300000000, 0.0023209400000000 ] - [ 0.0106012100000000, -0.0035383200000000, -0.0064952500000000 ] - [ 0.0010738200000000, -0.0011550600000000, 0.0051517200000000 ] - [ -0.0015601400000000, -0.0007695400000000, 0.0004460300000000 ] - [ 0.0006517100000000, -0.0167741300000000, 0.0113742000000000 ] - [ -0.0015491600000000, -0.0196320700000000, 0.0392886100000000 ] - [ 0.0038355500000000, -0.0001516700000000, 0.0007845100000000 ] - [ 0.0022298000000000, -0.0008490800000000, 0.0009413600000000 ] - [ -0.0045324200000000, 0.0005492700000000, 0.0011559700000000 ] - [ -0.0140106200000000, -0.0244938700000000, -0.2592031200000000 ] - [ -0.0010096700000000, 0.0001541900000000, 0.0020378500000000 ] - [ 0.0012039700000000, 0.0005744400000000, -0.0038634200000000 ] - [ -0.0002273900000000, 0.0025042900000000, 0.0083995900000000 ] - [ -0.0090997800000000, 0.0064882100000000, -0.0012569700000000 ] - [ 0.0017752300000000, 0.0006147400000000, 0.0008413500000000 ] - [ 0.0002138600000000, 0.0007533900000000, -0.0006400700000000 ] - [ 0.0001468700000000, 0.0008715600000000, 0.0022431900000000 ] - [ -0.0109098800000000, -0.0022530900000000, -0.0115624900000000 ] - [ 0.0008534400000000, -0.0009029700000000, 0.0014467100000000 ]- atom: 87 displacement: [ 0.0005876189178017, 0.0000000000000000, -0.0099827202709202 ] forces: - [ -0.0380380100000000, -0.0232489000000000, -0.0385329900000000 ] - [ 0.0005909000000000, -0.0000396100000000, 0.0008703800000000 ] - [ 0.0001100700000000, 0.0004030400000000, -0.0005228900000000 ] - [ -0.0005382000000000, 0.0004520200000000, 0.0021948300000000 ] - [ -0.0009613700000000, -0.0008370000000000, -0.0017016700000000 ] - [ -0.0005495500000000, -0.0009771800000000, 0.0072352600000000 ] - [ 0.0172042000000000, -0.0413780800000000, -0.1411410900000000 ] - [ 0.0003658700000000, 0.0003867300000000, 0.0019170300000000 ] - [ -0.0010302100000000, 0.0006605800000000, 0.0011732700000000 ] - [ 0.0109504400000000, 0.0548022300000000, -0.0563534300000000 ] - [ 0.0002961600000000, 0.0025226900000000, 0.0108508900000000 ] - [ 0.0018410900000000, -0.0006867400000000, -0.0020012600000000 ] - [ 0.0011974500000000, 0.0005188600000000, 0.0040634600000000 ] - [ 0.0017945300000000, 0.0011799500000000, -0.0010590500000000 ] - [ -0.0001190900000000, 0.0003585700000000, 0.0006380400000000 ] - [ -0.0030444400000000, 0.0039041200000000, -0.0022724400000000 ] - [ 0.0002826500000000, -0.0007880000000000, 0.0004160200000000 ] - [ 0.0022037200000000, -0.0024515400000000, -0.0006323000000000 ] - [ -0.0005261300000000, 0.0003557100000000, 0.0009526500000000 ] - [ 0.0002333400000000, 0.0022313000000000, -0.0037399100000000 ] - [ 0.0003494700000000, 0.0000948600000000, 0.0012506900000000 ] - [ -0.0004243800000000, 0.0000255100000000, -0.0013650500000000 ] - [ -0.0007860700000000, 0.0000895600000000, 0.0005267100000000 ] - [ 0.0023880000000000, -0.0001370800000000, 0.0014228000000000 ] - [ -0.0010769200000000, 0.0010480600000000, 0.0019760100000000 ] - [ -0.0027007100000000, 0.0004635500000000, -0.0020425400000000 ] - [ 0.0010485000000000, -0.0006745500000000, 0.0012263700000000 ] - [ 0.0008812400000000, -0.0022274700000000, -0.0012981300000000 ] - [ -0.0002971900000000, -0.0005183600000000, -0.0003215800000000 ] - [ -0.0053306100000000, -0.0016128300000000, 0.0030465100000000 ] - [ -0.0004095300000000, -0.0000140000000000, -0.0006998100000000 ] - [ 0.0004419800000000, -0.0011869700000000, 0.0018954700000000 ] - [ -0.0029041900000000, -0.0141144900000000, -0.0028073000000000 ] - [ 0.0007949600000000, -0.0003615900000000, 0.0012247400000000 ] - [ -0.0000185700000000, 0.0029114500000000, -0.0037080200000000 ] - [ -0.0000624200000000, 0.0000280000000000, 0.0006711500000000 ] - [ -0.0000435100000000, 0.0003197000000000, -0.0006758700000000 ] - [ -0.0001573900000000, 0.0001633400000000, 0.0018663700000000 ] - [ -0.0001030100000000, 0.0021374000000000, 0.0026509500000000 ] - [ 0.0005308300000000, 0.0011468900000000, -0.0007208200000000 ] - [ 0.0006719000000000, -0.0006845600000000, 0.0005182600000000 ] - [ -0.0023704600000000, -0.0027343100000000, -0.0012963800000000 ] - [ -0.0002637500000000, 0.0000046900000000, 0.0007899700000000 ] - [ 0.0003472500000000, -0.0028361800000000, -0.0062308600000000 ] - [ -0.0003029000000000, -0.0017542900000000, 0.0076039800000000 ] - [ 0.0001976800000000, 0.0013666100000000, -0.0026281300000000 ] - [ -0.0035594800000000, 0.0071122700000000, 0.0076959200000000 ] - [ -0.0008181100000000, -0.0002373600000000, -0.0012517200000000 ] - [ -0.0003733800000000, 0.0008945700000000, 0.0016156200000000 ] - [ 0.0018530000000000, 0.0014677900000000, -0.0028649400000000 ] - [ -0.0008623300000000, 0.0000449700000000, 0.0027582000000000 ] - [ 0.0126908800000000, -0.0044156000000000, -0.0192603400000000 ] - [ 0.0062486900000000, -0.0043307400000000, 0.0026039200000000 ] - [ -0.0020696100000000, -0.0020177500000000, 0.0002436200000000 ] - [ -0.0002210200000000, 0.0000052200000000, 0.0014341900000000 ] - [ 0.0012644200000000, 0.0004731700000000, -0.0012494500000000 ] - [ -0.0010812900000000, 0.0013422900000000, 0.0026600700000000 ] - [ -0.0012147500000000, 0.0007428600000000, -0.0025915600000000 ] - [ 0.0003106900000000, 0.0017133200000000, 0.0005539000000000 ] - [ 0.0004494700000000, 0.0003635500000000, 0.0002504300000000 ] - [ 0.0011150500000000, 0.0005191400000000, -0.0154106800000000 ] - [ 0.0034950800000000, -0.0000415100000000, 0.0040313300000000 ] - [ -0.0004445400000000, -0.0000172300000000, -0.0014854600000000 ] - [ -0.0036620500000000, -0.0337126000000000, 0.0239830700000000 ] - [ -0.0086036500000000, 0.0011963000000000, 0.0064244900000000 ] - [ -0.0014254300000000, -0.0001087100000000, -0.0031452200000000 ] - [ 0.0026840900000000, -0.0007581300000000, 0.0026144500000000 ] - [ 0.0005521400000000, -0.0001325800000000, -0.0020483800000000 ] - [ -0.0096633600000000, -0.0115985600000000, -0.0083721400000000 ] - [ -0.0002926000000000, -0.0013409400000000, -0.0005991300000000 ] - [ 0.0002832500000000, -0.0000984300000000, -0.0003991200000000 ] - [ 0.0010149000000000, -0.0005032400000000, -0.0020286600000000 ] - [ 0.0000224800000000, -0.0003023100000000, -0.0012033600000000 ] - [ -0.0010046700000000, -0.0003766400000000, 0.0046997000000000 ] - [ 0.0014999000000000, 0.0015274800000000, -0.0047757000000000 ] - [ -0.0000141100000000, 0.0004818900000000, 0.0014836900000000 ] - [ 0.0006228700000000, -0.0004835100000000, 0.0027902700000000 ] - [ 0.0005631500000000, -0.0007546800000000, -0.0024038300000000 ] - [ -0.0106069100000000, 0.0040352800000000, 0.0065096200000000 ] - [ -0.0011234300000000, 0.0017134600000000, -0.0050623200000000 ] - [ 0.0011555100000000, 0.0001731000000000, -0.0001866100000000 ] - [ -0.0002442400000000, 0.0161497900000000, -0.0117417200000000 ] - [ 0.0019870600000000, 0.0202080800000000, -0.0398743400000000 ] - [ -0.0042614000000000, 0.0007406200000000, -0.0004842400000000 ] - [ -0.0022323100000000, 0.0008819400000000, -0.0009647500000000 ] - [ 0.0045535400000000, -0.0005951700000000, -0.0011437000000000 ] - [ 0.0127092000000000, 0.0313231200000000, 0.2690525400000000 ] - [ 0.0000329700000000, 0.0006820800000000, -0.0025474700000000 ] - [ -0.0021415400000000, -0.0014327800000000, 0.0033717400000000 ] - [ 0.0011838100000000, -0.0033736300000000, -0.0078591200000000 ] - [ 0.0089621600000000, -0.0063872500000000, 0.0011764300000000 ] - [ -0.0017671100000000, -0.0006339300000000, -0.0008222400000000 ] - [ 0.0007465500000000, 0.0000979500000000, 0.0011503900000000 ] - [ -0.0011075200000000, 0.0000040100000000, -0.0027518100000000 ] - [ 0.0100231100000000, 0.0013825100000000, 0.0111347500000000 ] - [ 0.0001072300000000, 0.0000648300000000, -0.0009405900000000 ]